Daily Papers

Recent large language models (LLMs) have advanced table understanding capabilities but rely on converting tables into text sequences. While multimodal large language models (MLLMs) enable direct visual processing, they face limitations in handling scientific tables due to fixed input image resolutions and insufficient numerical reasoning capabilities. We present a comprehensive framework for multimodal scientific table understanding and reasoning with dynamic input image resolutions. Our framework consists of three key components: (1) MMSci-Pre, a domain-specific table structure learning dataset of 52K scientific table structure recognition samples, (2) MMSci-Ins, an instruction tuning dataset with 12K samples across three table-based tasks, and (3) MMSci-Eval, a benchmark with 3,114 testing samples specifically designed to evaluate numerical reasoning capabilities. Extensive experiments demonstrate that our domain-specific approach with 52K scientific table images achieves superior performance compared to 150K general-domain tables, highlighting the importance of data quality over quantity. Our proposed table-based MLLMs with dynamic input resolutions show significant improvements in both general table understanding and numerical reasoning capabilities, with strong generalisation to held-out datasets. Our code and data are publicly available at https://github.com/Bernard-Yang/MMSci_Table.

Tables are among the most widely used tools for representing structured data in research, business, medicine, and education. Although LLMs demonstrate strong performance in downstream tasks, their efficiency in processing tabular data remains underexplored. In this paper, we investigate the effectiveness of both text-based and multimodal LLMs on table understanding tasks through a cross-domain and cross-modality evaluation. Specifically, we compare their performance on tables from scientific vs. non-scientific contexts and examine their robustness on tables represented as images vs. text. Additionally, we conduct an interpretability analysis to measure context usage and input relevance. We also introduce the TableEval benchmark, comprising 3017 tables from scholarly publications, Wikipedia, and financial reports, where each table is provided in five different formats: Image, Dictionary, HTML, XML, and LaTeX. Our findings indicate that while LLMs maintain robustness across table modalities, they face significant challenges when processing scientific tables.

Generating accurate and concise textual summaries from multimodal documents is challenging, especially when dealing with visually complex content like scientific posters. We introduce PosterSum, a novel benchmark to advance the development of vision-language models that can understand and summarize scientific posters into research paper abstracts. Our dataset contains 16,305 conference posters paired with their corresponding abstracts as summaries. Each poster is provided in image format and presents diverse visual understanding challenges, such as complex layouts, dense text regions, tables, and figures. We benchmark state-of-the-art Multimodal Large Language Models (MLLMs) on PosterSum and demonstrate that they struggle to accurately interpret and summarize scientific posters. We propose Segment & Summarize, a hierarchical method that outperforms current MLLMs on automated metrics, achieving a 3.14% gain in ROUGE-L. This will serve as a starting point for future research on poster summarization.

Tables are widely used in documents because of their compact and structured representation of information. In particular, in scientific papers, tables can sum up novel discoveries and summarize experimental results, making the research comparable and easily understandable by scholars. Since the layout of tables is highly variable, it would be useful to interpret their content and classify them into categories. This could be helpful to directly extract information from scientific papers, for instance comparing performance of some models given their paper result tables. In this work, we address the classification of tables using a Graph Neural Network, exploiting the table structure for the message passing algorithm in use. We evaluate our model on a subset of the Tab2Know dataset. Since it contains few examples manually annotated, we propose data augmentation techniques directly on the table graph structures. We achieve promising preliminary results, proposing a data augmentation method suitable for graph-based table representation.

Tables are widely used in several types of documents since they can bring important information in a structured way. In scientific papers, tables can sum up novel discoveries and summarize experimental results, making the research comparable and easily understandable by scholars. Several methods perform table analysis working on document images, losing useful information during the conversion from the PDF files since OCR tools can be prone to recognition errors, in particular for text inside tables. The main contribution of this work is to tackle the problem of table extraction, exploiting Graph Neural Networks. Node features are enriched with suitably designed representation embeddings. These representations help to better distinguish not only tables from the other parts of the paper, but also table cells from table headers. We experimentally evaluated the proposed approach on a new dataset obtained by merging the information provided in the PubLayNet and PubTables-1M datasets.

In this paper, we introduce SciGen, a new challenge dataset for the task of reasoning-aware data-to-text generation consisting of tables from scientific articles and their corresponding descriptions. Describing scientific tables goes beyond the surface realization of the table content and requires reasoning over table values. The unique properties of SciGen are that (1) tables mostly contain numerical values, and (2) the corresponding descriptions require arithmetic reasoning. SciGen is therefore the first dataset that assesses the arithmetic reasoning capabilities of generation models on complex input structures, i.e., tables from scientific articles. We study the effectiveness of state-of-the-art data-to-text generation models on SciGen and evaluate the results using common metrics as well as human evaluation. Our results and analyses show that (a) while humans like to reason for describing scientific tables, the ability of state-of-the-art models is severely limited on this task, (b) while adding more training data improves the results, it is not the solution for reasoning-aware text generation, and (c) one of the main bottlenecks for this task is the lack of proper automatic evaluation metrics. The data, code, and annotations for human evaluation will be available at https://github.com/UKPLab/SciGen. SciGen opens new avenues for future research in reasoning-aware text generation and evaluation.

Table structure recognition is an essential part for making machines understand tables. Its main task is to recognize the internal structure of a table. However, due to the complexity and diversity in their structure and style, it is very difficult to parse the tabular data into the structured format which machines can understand easily, especially for complex tables. In this paper, we introduce Split, Embed and Merge (SEM), an accurate table structure recognizer. Our model takes table images as input and can correctly recognize the structure of tables, whether they are simple or a complex tables. SEM is mainly composed of three parts, splitter, embedder and merger. In the first stage, we apply the splitter to predict the potential regions of the table row (column) separators, and obtain the fine grid structure of the table. In the second stage, by taking a full consideration of the textual information in the table, we fuse the output features for each table grid from both vision and language modalities. Moreover, we achieve a higher precision in our experiments through adding additional semantic features. Finally, we process the merging of these basic table grids in a self-regression manner. The correspondent merging results is learned through the attention mechanism. In our experiments, SEM achieves an average F1-Measure of 97.11% on the SciTSR dataset which outperforms other methods by a large margin. We also won the first place in the complex table and third place in all tables in ICDAR 2021 Competition on Scientific Literature Parsing, Task-B. Extensive experiments on other publicly available datasets demonstrate that our model achieves state-of-the-art.

Tables have gained significant attention in large language models (LLMs) and multimodal large language models (MLLMs) due to their complex and flexible structure. Unlike linear text inputs, tables are two-dimensional, encompassing formats that range from well-structured database tables to complex, multi-layered spreadsheets, each with different purposes. This diversity in format and purpose has led to the development of specialized methods and tasks, instead of universal approaches, making navigation of table understanding tasks challenging. To address these challenges, this paper introduces key concepts through a taxonomy of tabular input representations and an introduction of table understanding tasks. We highlight several critical gaps in the field that indicate the need for further research: (1) the predominance of retrieval-focused tasks that require minimal reasoning beyond mathematical and logical operations; (2) significant challenges faced by models when processing complex table structures, large-scale tables, length context, or multi-table scenarios; and (3) the limited generalization of models across different tabular representations and formats.

Table extraction from document images is a challenging AI problem, and labelled data for many content domains is difficult to come by. Existing table extraction datasets often focus on scientific tables due to the vast amount of academic articles that are readily available, along with their source code. However, there are significant layout and typographical differences between tables found across scientific, financial, and other domains. Current datasets often lack the words, and their positions, contained within the tables, instead relying on unreliable OCR to extract these features for training modern machine learning models on natural language processing tasks. Therefore, there is a need for a more general method of obtaining labelled data. We present SynFinTabs, a large-scale, labelled dataset of synthetic financial tables. Our hope is that our method of generating these synthetic tables is transferable to other domains. To demonstrate the effectiveness of our dataset in training models to extract information from table images, we create FinTabQA, a layout large language model trained on an extractive question-answering task. We test our model using real-world financial tables and compare it to a state-of-the-art generative model and discuss the results. We make the dataset, model, and dataset generation code publicly available.

Tables are a popular and efficient means of presenting structured information. They are used extensively in various kinds of documents including web pages. Tables display information as a two-dimensional matrix, the semantics of which is conveyed by a mixture of structure (rows, columns), headers, caption, and content. Recent research has started to consider tables as first class objects, not just as an addendum to texts, yielding interesting results for problems like table matching, table completion, or value imputation. All of these problems inherently rely on an accurate measure for the semantic similarity of two tables. We present TabSim, a novel method to compute table similarity scores using deep neural networks. Conceptually, TabSim represents a table as a learned concatenation of embeddings of its caption, its content, and its structure. Given two tables in this representation, a Siamese neural network is trained to compute a score correlating with the tables' semantic similarity. To train and evaluate our method, we created a gold standard corpus consisting of 1500 table pairs extracted from biomedical articles and manually scored regarding their degree of similarity, and adopted two other corpora originally developed for a different yet similar task. Our evaluation shows that TabSim outperforms other table similarity measures on average by app. 7% pp F1-score in a binary similarity classification setting and by app. 1.5% pp in a ranking scenario.

Tables and table-based use cases play a crucial role in many important real-world applications, such as spreadsheets, databases, and computational notebooks, which traditionally require expert-level users like data engineers, data analysts, and database administrators to operate. Although LLMs have shown remarkable progress in working with tables (e.g., in spreadsheet and database copilot scenarios), comprehensive benchmarking of such capabilities remains limited. In contrast to an extensive and growing list of NLP benchmarks, evaluations of table-related tasks are scarce, and narrowly focus on tasks like NL-to-SQL and Table-QA, overlooking the broader spectrum of real-world tasks that professional users face. This gap limits our understanding and model progress in this important area. In this work, we introduce MMTU, a large-scale benchmark with over 30K questions across 25 real-world table tasks, designed to comprehensively evaluate models ability to understand, reason, and manipulate real tables at the expert-level. These tasks are drawn from decades' worth of computer science research on tabular data, with a focus on complex table tasks faced by professional users. We show that MMTU require a combination of skills -- including table understanding, reasoning, and coding -- that remain challenging for today's frontier models, where even frontier reasoning models like OpenAI o4-mini and DeepSeek R1 score only around 60%, suggesting significant room for improvement. We highlight key findings in our evaluation using MMTU and hope that this benchmark drives further advances in understanding and developing foundation models for structured data processing and analysis. Our code and data are available at https://github.com/MMTU-Benchmark/MMTU and https://huggingface.co/datasets/MMTU-benchmark/MMTU.

Table foundation models bring high hopes to data science: pre-trained on tabular data to embark knowledge or priors, they should facilitate downstream tasks on tables. One specific challenge is that of data semantics: numerical entries take their meaning from context, e.g., column name. Pre-trained neural networks that jointly model column names and table entries have recently boosted prediction accuracy. While these models outline the promises of world knowledge to interpret table values, they lack the convenience of popular foundation models in text or vision. Indeed, they must be fine-tuned to bring benefits, come with sizeable computation costs, and cannot easily be reused or combined with other architectures. Here we introduce TARTE, a foundation model that transforms tables to knowledge-enhanced vector representations using the string to capture semantics. Pre-trained on large relational data, TARTE yields representations that facilitate subsequent learning with little additional cost. These representations can be fine-tuned or combined with other learners, giving models that push the state-of-the-art prediction performance and improve the prediction/computation performance trade-off. Specialized to a task or a domain, TARTE gives domain-specific representations that facilitate further learning. Our study demonstrates an effective approach to knowledge pre-training for tabular learning.

When conducting literature reviews, scientists often create literature review tables - tables whose rows are publications and whose columns constitute a schema, a set of aspects used to compare and contrast the papers. Can we automatically generate these tables using language models (LMs)? In this work, we introduce a framework that leverages LMs to perform this task by decomposing it into separate schema and value generation steps. To enable experimentation, we address two main challenges: First, we overcome a lack of high-quality datasets to benchmark table generation by curating and releasing arxivDIGESTables, a new dataset of 2,228 literature review tables extracted from ArXiv papers that synthesize a total of 7,542 research papers. Second, to support scalable evaluation of model generations against human-authored reference tables, we develop DecontextEval, an automatic evaluation method that aligns elements of tables with the same underlying aspects despite differing surface forms. Given these tools, we evaluate LMs' abilities to reconstruct reference tables, finding this task benefits from additional context to ground the generation (e.g. table captions, in-text references). Finally, through a human evaluation study we find that even when LMs fail to fully reconstruct a reference table, their generated novel aspects can still be useful.

Scientific texts often convey authority due to their technical language and complex data. However, this complexity can sometimes lead to the spread of misinformation. Non-experts are particularly susceptible to misleading claims based on scientific tables due to their high information density and perceived credibility. Existing table claim verification models, including state-of-the-art large language models (LLMs), often struggle with precise fine-grained reasoning, resulting in errors and a lack of precision in verifying scientific claims. Inspired by Cognitive Load Theory, we propose that enhancing a model's ability to interpret table-based claims involves reducing cognitive load by developing modular, reusable reasoning components (i.e., atomic skills). We introduce a skill-chaining schema that dynamically composes these skills to facilitate more accurate and generalizable reasoning with a reduced cognitive load. To evaluate this, we create SciAtomicBench, a cross-domain benchmark with fine-grained reasoning annotations. With only 350 fine-tuning examples, our model trained by atomic reasoning outperforms GPT-4o's chain-of-thought method, achieving state-of-the-art results with far less training data.

Scientific question answering (SQA) is an important task aimed at answering questions based on papers. However, current SQA datasets have limited reasoning types and neglect the relevance between tables and text, creating a significant gap with real scenarios. To address these challenges, we propose a QA benchmark for scientific tables and text with diverse reasoning types (SciTaT). To cover more reasoning types, we summarize various reasoning types from real-world questions. To involve both tables and text, we require the questions to incorporate tables and text as much as possible. Based on SciTaT, we propose a strong baseline (CaR), which combines various reasoning methods to address different reasoning types and process tables and text at the same time. CaR brings average improvements of 12.9% over other baselines on SciTaT, validating its effectiveness. Error analysis reveals the challenges of SciTaT, such as complex numerical calculations and domain knowledge.

With recent advancements in Large Language Models (LLMs) and growing interest in retrieval-augmented generation (RAG), the ability to understand table structures has become increasingly important. This is especially critical in financial domains such as securities reports, where highly accurate question answering (QA) over tables is required. However, tables exist in various formats-including HTML, images, and plain text-making it difficult to preserve and extract structural information. Therefore, multimodal LLMs are essential for robust and general-purpose table understanding. Despite their promise, current Large Vision-Language Models (LVLMs), which are major representatives of multimodal LLMs, still face challenges in accurately understanding characters and their spatial relationships within documents. In this study, we propose a method to enhance LVLM-based table understanding by incorporating in-table textual content and layout features. Experimental results demonstrate that these auxiliary modalities significantly improve performance, enabling robust interpretation of complex document layouts without relying on explicitly structured input formats.

Most existing large-scale academic search engines are built to retrieve text-based information. However, there are no large-scale retrieval services for scientific figures and tables. One challenge for such services is understanding scientific figures' semantics, such as their types and purposes. A key obstacle is the need for datasets containing annotated scientific figures and tables, which can then be used for classification, question-answering, and auto-captioning. Here, we develop a pipeline that extracts figures and tables from the scientific literature and a deep-learning-based framework that classifies scientific figures using visual features. Using this pipeline, we built the first large-scale automatically annotated corpus, ACL-Fig, consisting of 112,052 scientific figures extracted from ~56K research papers in the ACL Anthology. The ACL-Fig-Pilot dataset contains 1,671 manually labeled scientific figures belonging to 19 categories. The dataset is accessible at https://huggingface.co/datasets/citeseerx/ACL-fig under a CC BY-NC license.

Without accurate transcription of numerical data in scientific documents, a scientist cannot draw accurate conclusions. Unfortunately, the process of copying numerical data from one paper to another is prone to human error. In this paper, we propose to meet this challenge through the novel task of automatic table verification (AutoTV), in which the objective is to verify the accuracy of numerical data in tables by cross-referencing cited sources. To support this task, we propose a new benchmark, arXiVeri, which comprises tabular data drawn from open-access academic papers on arXiv. We introduce metrics to evaluate the performance of a table verifier in two key areas: (i) table matching, which aims to identify the source table in a cited document that corresponds to a target table, and (ii) cell matching, which aims to locate shared cells between a target and source table and identify their row and column indices accurately. By leveraging the flexible capabilities of modern large language models (LLMs), we propose simple baselines for table verification. Our findings highlight the complexity of this task, even for state-of-the-art LLMs like OpenAI's GPT-4. The code and benchmark will be made publicly available.

Tabular data is a fundamental component of real-world information systems, yet most research in table understanding remains confined to English, leaving multilingual comprehension significantly underexplored. Existing multilingual table benchmarks suffer from geolinguistic imbalance - overrepresenting certain languages and lacking sufficient scale for rigorous cross-lingual analysis. To address these limitations, we introduce a comprehensive framework for massively multilingual multitask table question answering, featuring m3TQA-Instruct, a large-scale benchmark spanning 97 languages across diverse language families, including underrepresented and low-resource languages. We construct m3TQA by curating 50 real-world tables in Chinese and English, then applying a robust six-step LLM-based translation pipeline powered by DeepSeek and GPT-4o, achieving high translation fidelity with a median BLEU score of 60.19 as validated through back-translation. The benchmark includes 2,916 professionally annotated question-answering pairs across four tasks designed to evaluate nuanced table reasoning capabilities. Experiments on state-of-the-art LLMs reveal critical insights into cross-lingual generalization, demonstrating that synthetically generated, unannotated QA data can significantly boost performance, particularly for low-resource languages. M3T-Bench establishes a new standard for multilingual table understanding, providing both a challenging evaluation platform and a scalable methodology for future research.

Language models and specialized table embedding models have recently demonstrated strong performance on many tasks over tabular data. Researchers and practitioners are keen to leverage these models in many new application contexts; but limited understanding of the strengths and weaknesses of these models, and the table representations they generate, makes the process of finding a suitable model for a given task reliant on trial and error. There is an urgent need to gain a comprehensive understanding of these models to minimize inefficiency and failures in downstream usage. To address this need, we propose Observatory, a formal framework to systematically analyze embedding representations of relational tables. Motivated both by invariants of the relational data model and by statistical considerations regarding data distributions, we define eight primitive properties, and corresponding measures to quantitatively characterize table embeddings for these properties. Based on these properties, we define an extensible framework to evaluate language and table embedding models. We collect and synthesize a suite of datasets and use Observatory to analyze nine such models. Our analysis provides insights into the strengths and weaknesses of learned representations over tables. We find, for example, that some models are sensitive to table structure such as column order, that functional dependencies are rarely reflected in embeddings, and that specialized table embedding models have relatively lower sample fidelity. Such insights help researchers and practitioners better anticipate model behaviors and select appropriate models for their downstream tasks, while guiding researchers in the development of new models.

Important information that relates to a specific topic in a document is often organized in tabular format to assist readers with information retrieval and comparison, which may be difficult to provide in natural language. However, tabular data in unstructured digital documents, e.g., Portable Document Format (PDF) and images, are difficult to parse into structured machine-readable format, due to complexity and diversity in their structure and style. To facilitate image-based table recognition with deep learning, we develop the largest publicly available table recognition dataset PubTabNet (https://github.com/ibm-aur-nlp/PubTabNet), containing 568k table images with corresponding structured HTML representation. PubTabNet is automatically generated by matching the XML and PDF representations of the scientific articles in PubMed Central Open Access Subset (PMCOA). We also propose a novel attention-based encoder-dual-decoder (EDD) architecture that converts images of tables into HTML code. The model has a structure decoder which reconstructs the table structure and helps the cell decoder to recognize cell content. In addition, we propose a new Tree-Edit-Distance-based Similarity (TEDS) metric for table recognition, which more appropriately captures multi-hop cell misalignment and OCR errors than the pre-established metric. The experiments demonstrate that the EDD model can accurately recognize complex tables solely relying on the image representation, outperforming the state-of-the-art by 9.7% absolute TEDS score.

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.

Spreadsheet table detection is the task of detecting all tables on a given sheet and locating their respective ranges. Automatic table detection is a key enabling technique and an initial step in spreadsheet data intelligence. However, the detection task is challenged by the diversity of table structures and table layouts on the spreadsheet. Considering the analogy between a cell matrix as spreadsheet and a pixel matrix as image, and encouraged by the successful application of Convolutional Neural Networks (CNN) in computer vision, we have developed TableSense, a novel end-to-end framework for spreadsheet table detection. First, we devise an effective cell featurization scheme to better leverage the rich information in each cell; second, we develop an enhanced convolutional neural network model for table detection to meet the domain-specific requirement on precise table boundary detection; third, we propose an effective uncertainty metric to guide an active learning based smart sampling algorithm, which enables the efficient build-up of a training dataset with 22,176 tables on 10,220 sheets with broad coverage of diverse table structures and layouts. Our evaluation shows that TableSense is highly effective with 91.3\% recall and 86.5\% precision in EoB-2 metric, a significant improvement over both the current detection algorithm that are used in commodity spreadsheet tools and state-of-the-art convolutional neural networks in computer vision.

Recent advancements in Large Language Models (LLMs) have markedly enhanced the interpretation and processing of tabular data, introducing previously unimaginable capabilities. Despite these achievements, LLMs still encounter significant challenges when applied in industrial scenarios, particularly due to the increased complexity of reasoning required with real-world tabular data, underscoring a notable disparity between academic benchmarks and practical applications. To address this discrepancy, we conduct a detailed investigation into the application of tabular data in industrial scenarios and propose a comprehensive and complex benchmark TableBench, including 18 fields within four major categories of table question answering (TableQA) capabilities. Furthermore, we introduce TableLLM, trained on our meticulously constructed training set TableInstruct, achieving comparable performance with GPT-3.5. Massive experiments conducted on TableBench indicate that both open-source and proprietary LLMs still have significant room for improvement to meet real-world demands, where the most advanced model, GPT-4, achieves only a modest score compared to humans.

Relevant information in documents is often summarized in tables, helping the reader to identify useful facts. Most benchmark datasets support either document layout analysis or table understanding, but lack in providing data to apply both tasks in a unified way. We define the task of Contextualized Table Extraction (CTE), which aims to extract and define the structure of tables considering the textual context of the document. The dataset comprises 75k fully annotated pages of scientific papers, including more than 35k tables. Data are gathered from PubMed Central, merging the information provided by annotations in the PubTables-1M and PubLayNet datasets. The dataset can support CTE and adds new classes to the original ones. The generated annotations can be used to develop end-to-end pipelines for various tasks, including document layout analysis, table detection, structure recognition, and functional analysis. We formally define CTE and evaluation metrics, showing which subtasks can be tackled, describing advantages, limitations, and future works of this collection of data. Annotations and code will be accessible a https://github.com/AILab-UniFI/cte-dataset.

Tabular data (or tables) are the most widely used data format in machine learning (ML). However, ML models often assume the table structure keeps fixed in training and testing. Before ML modeling, heavy data cleaning is required to merge disparate tables with different columns. This preprocessing often incurs significant data waste (e.g., removing unmatched columns and samples). How to learn ML models from multiple tables with partially overlapping columns? How to incrementally update ML models as more columns become available over time? Can we leverage model pretraining on multiple distinct tables? How to train an ML model which can predict on an unseen table? To answer all those questions, we propose to relax fixed table structures by introducing a Transferable Tabular Transformer (TransTab) for tables. The goal of TransTab is to convert each sample (a row in the table) to a generalizable embedding vector, and then apply stacked transformers for feature encoding. One methodology insight is combining column description and table cells as the raw input to a gated transformer model. The other insight is to introduce supervised and self-supervised pretraining to improve model performance. We compare TransTab with multiple baseline methods on diverse benchmark datasets and five oncology clinical trial datasets. Overall, TransTab ranks 1.00, 1.00, 1.78 out of 12 methods in supervised learning, feature incremental learning, and transfer learning scenarios, respectively; and the proposed pretraining leads to 2.3% AUC lift on average over the supervised learning.

Table Question Answering (TQA) aims at composing an answer to a question based on tabular data. While prior research has shown that TQA models lack robustness, understanding the underlying cause and nature of this issue remains predominantly unclear, posing a significant obstacle to the development of robust TQA systems. In this paper, we formalize three major desiderata for a fine-grained evaluation of robustness of TQA systems. They should (i) answer questions regardless of alterations in table structure, (ii) base their responses on the content of relevant cells rather than on biases, and (iii) demonstrate robust numerical reasoning capabilities. To investigate these aspects, we create and publish a novel TQA evaluation benchmark in English. Our extensive experimental analysis reveals that none of the examined state-of-the-art TQA systems consistently excels in these three aspects. Our benchmark is a crucial instrument for monitoring the behavior of TQA systems and paves the way for the development of robust TQA systems. We release our benchmark publicly.

Table Structure Recognition (TSR) is vital for various downstream tasks like information retrieval, table reconstruction, and document understanding. While most state-of-the-art (SOTA) research predominantly focuses on TSR in English documents, the need for similar capabilities in other languages is evident, considering the global diversity of data. Moreover, creating substantial labeled data in non-English languages and training these SOTA models from scratch is costly and time-consuming. We propose TSR as a language-agnostic cell arrangement prediction and introduce SPRINT, Script-agnostic Structure Recognition in Tables. SPRINT uses recently introduced Optimized Table Structure Language (OTSL) sequences to predict table structures. We show that when coupled with a pre-trained table grid estimator, SPRINT can improve the overall tree edit distance-based similarity structure scores of tables even for non-English documents. We experimentally evaluate our performance across benchmark TSR datasets including PubTabNet, FinTabNet, and PubTables-1M. Our findings reveal that SPRINT not only matches SOTA models in performance on standard datasets but also demonstrates lower latency. Additionally, SPRINT excels in accurately identifying table structures in non-English documents, surpassing current leading models by showing an absolute average increase of 11.12%. We also present an algorithm for converting valid OTSL predictions into a widely used HTML-based table representation. To encourage further research, we release our code and Multilingual Scanned and Scene Table Structure Recognition Dataset, MUSTARD labeled with OTSL sequences for 1428 tables in thirteen languages encompassing several scripts at https://github.com/IITB-LEAP-OCR/SPRINT

Recent advancements in table-based reasoning have expanded beyond factoid-level QA to address insight-level tasks, where systems should synthesize implicit knowledge in the table to provide explainable analyses. Although effective, existing studies remain confined to scenarios where a single gold table is given alongside the user query, failing to address cases where users seek comprehensive insights from multiple unknown tables. To bridge these gaps, we propose MT-RAIG Bench, design to evaluate systems on Retrieval-Augmented Insight Generation over Mulitple-Tables. Additionally, to tackle the suboptimality of existing automatic evaluation methods in the table domain, we further introduce a fine-grained evaluation framework MT-RAIG Eval, which achieves better alignment with human quality judgments on the generated insights. We conduct extensive experiments and reveal that even frontier LLMs still struggle with complex multi-table reasoning, establishing our MT-RAIG Bench as a challenging testbed for future research.

Tables contain factual and quantitative data accompanied by various structures and contents that pose challenges for machine comprehension. Previous methods generally design task-specific architectures and objectives for individual tasks, resulting in modal isolation and intricate workflows. In this paper, we present a novel large vision-language model, TabPedia, equipped with a concept synergy mechanism. In this mechanism, all the involved diverse visual table understanding (VTU) tasks and multi-source visual embeddings are abstracted as concepts. This unified framework allows TabPedia to seamlessly integrate VTU tasks, such as table detection, table structure recognition, table querying, and table question answering, by leveraging the capabilities of large language models (LLMs). Moreover, the concept synergy mechanism enables table perception-related and comprehension-related tasks to work in harmony, as they can effectively leverage the needed clues from the corresponding source perception embeddings. Furthermore, to better evaluate the VTU task in real-world scenarios, we establish a new and comprehensive table VQA benchmark, ComTQA, featuring approximately 9,000 QA pairs. Extensive quantitative and qualitative experiments on both table perception and comprehension tasks, conducted across various public benchmarks, validate the effectiveness of our TabPedia. The superior performance further confirms the feasibility of using LLMs for understanding visual tables when all concepts work in synergy. The benchmark ComTQA has been open-sourced at https://huggingface.co/datasets/ByteDance/ComTQA. The source code and model will be released later.

Recently, significant progress has been made applying machine learning to the problem of table structure inference and extraction from unstructured documents. However, one of the greatest challenges remains the creation of datasets with complete, unambiguous ground truth at scale. To address this, we develop a new, more comprehensive dataset for table extraction, called PubTables-1M. PubTables-1M contains nearly one million tables from scientific articles, supports multiple input modalities, and contains detailed header and location information for table structures, making it useful for a wide variety of modeling approaches. It also addresses a significant source of ground truth inconsistency observed in prior datasets called oversegmentation, using a novel canonicalization procedure. We demonstrate that these improvements lead to a significant increase in training performance and a more reliable estimate of model performance at evaluation for table structure recognition. Further, we show that transformer-based object detection models trained on PubTables-1M produce excellent results for all three tasks of detection, structure recognition, and functional analysis without the need for any special customization for these tasks. Data and code will be released at https://github.com/microsoft/table-transformer.

The success of deep learning has sparked interest in improving relational table tasks, like data preparation and search, with table representation models trained on large table corpora. Existing table corpora primarily contain tables extracted from HTML pages, limiting the capability to represent offline database tables. To train and evaluate high-capacity models for applications beyond the Web, we need resources with tables that resemble relational database tables. Here we introduce GitTables, a corpus of 1M relational tables extracted from GitHub. Our continuing curation aims at growing the corpus to at least 10M tables. Analyses of GitTables show that its structure, content, and topical coverage differ significantly from existing table corpora. We annotate table columns in GitTables with semantic types, hierarchical relations and descriptions from Schema.org and DBpedia. The evaluation of our annotation pipeline on the T2Dv2 benchmark illustrates that our approach provides results on par with human annotations. We present three applications of GitTables, demonstrating its value for learned semantic type detection models, schema completion methods, and benchmarks for table-to-KG matching, data search, and preparation. We make the corpus and code available at https://gittables.github.io.

Interpretability is becoming an active research topic as machine learning (ML) models are more widely used to make critical decisions. Tabular data is one of the most commonly used modes of data in diverse applications such as healthcare and finance. Much of the existing interpretability methods used for tabular data only report feature-importance scores -- either locally (per example) or globally (per model) -- but they do not provide interpretation or visualization of how the features interact. We address this limitation by introducing Feature Vectors, a new global interpretability method designed for tabular datasets. In addition to providing feature-importance, Feature Vectors discovers the inherent semantic relationship among features via an intuitive feature visualization technique. Our systematic experiments demonstrate the empirical utility of this new method by applying it to several real-world datasets. We further provide an easy-to-use Python package for Feature Vectors.

In this paper, we investigate the effectiveness of various LLMs in interpreting tabular data through different prompting strategies and data formats. Our analysis extends across six benchmarks for table-related tasks such as question-answering and fact-checking. We introduce for the first time the assessment of LLMs' performance on image-based table representations. Specifically, we compare five text-based and three image-based table representations, demonstrating the influence of representation and prompting on LLM performance. Our study provides insights into the effective use of LLMs on table-related tasks.

Real-world financial documents report essential information about an entity's financial holdings that can span millions of different financial instrument types. Yet, these details are often buried in messy, multi-page, fragmented tables - for example, 99.4% of the tables in our dataset have no bounding boxes with the maximum number of rows amounting to 426 per table across 44 pages. To tackle these unique challenges from real-world tables, we present a continuously learning, agentic table extraction system, TASER (Table Agents for Schema-guided Extraction and Recommendation) that extracts highly unstructured, multi-page, heterogeneous tables into normalized, schema-conforming outputs. Our table agents execute on table detection, classification, extraction, and recommendations by leveraging an initial schema. Then, our Recommender Agent reviews the outputs, recommends schema revisions, and decides on the final recommendations, enabling TASER to outperform existing table detection models such as Table Transformer by 10.1%. Within this continuous learning process, we highlight that larger batch sizes result in a 104.3% increase in schema recommendations that are actionable and utilized, resulting in a 9.8% increase in extracted holdings - highlighting the importance of a continuous learning process. To train TASER, we have manually labeled 22,584 pages (28,150,449 tokens), 3,213 tables for $731,685,511,687 of holdings culminating in one of the first real financial table datasets. We release our dataset TASERTab to enable the research community to access real-world financial tables and outputs. Our results highlight the promise of agentic, schema-guided extraction systems for robust understanding of real-world financial tables.

In this paper, we propose a new class of metric for table structure recognition (TSR) evaluation, called grid table similarity (GriTS). Unlike prior metrics, GriTS evaluates the correctness of a predicted table directly in its natural form as a matrix. To create a similarity measure between matrices, we generalize the two-dimensional largest common substructure (2D-LCS) problem, which is NP-hard, to the 2D most similar substructures (2D-MSS) problem and propose a polynomial-time heuristic for solving it. This algorithm produces both an upper and a lower bound on the true similarity between matrices. We show using evaluation on a large real-world dataset that in practice there is almost no difference between these bounds. We compare GriTS to other metrics and empirically validate that matrix similarity exhibits more desirable behavior than alternatives for TSR performance evaluation. Finally, GriTS unifies all three subtasks of cell topology recognition, cell location recognition, and cell content recognition within the same framework, which simplifies the evaluation and enables more meaningful comparisons across different types of TSR approaches. Code will be released at https://github.com/microsoft/table-transformer.

In scientific research and its application, scientific literature analysis is crucial as it allows researchers to build on the work of others. However, the fast growth of scientific knowledge has led to a massive increase in scholarly articles, making in-depth literature analysis increasingly challenging and time-consuming. The emergence of Large Language Models (LLMs) has offered a new way to address this challenge. Known for their strong abilities in summarizing texts, LLMs are seen as a potential tool to improve the analysis of scientific literature. However, existing LLMs have their own limits. Scientific literature often includes a wide range of multimodal elements, such as molecular structure, tables, and charts, which are hard for text-focused LLMs to understand and analyze. This issue points to the urgent need for new solutions that can fully understand and analyze multimodal content in scientific literature. To answer this demand, we present Uni-SMART (Universal Science Multimodal Analysis and Research Transformer), an innovative model designed for in-depth understanding of multimodal scientific literature. Through rigorous quantitative evaluation across several domains, Uni-SMART demonstrates superior performance over leading text-focused LLMs. Furthermore, our exploration extends to practical applications, including patent infringement detection and nuanced analysis of charts. These applications not only highlight Uni-SMART's adaptability but also its potential to revolutionize how we interact with scientific literature.

Recent text and image foundation models are incredibly impressive, and these models are attracting an ever-increasing portion of research resources. In this position piece we aim to shift the ML research community's priorities ever so slightly to a different modality: tabular data. Tabular data is the dominant modality in many fields, yet it is given hardly any research attention and significantly lags behind in terms of scale and power. We believe the time is now to start developing tabular foundation models, or what we coin a Large Tabular Model (LTM). LTMs could revolutionise the way science and ML use tabular data: not as single datasets that are analyzed in a vacuum, but contextualized with respect to related datasets. The potential impact is far-reaching: from few-shot tabular models to automating data science; from out-of-distribution synthetic data to empowering multidisciplinary scientific discovery. We intend to excite reflections on the modalities we study, and convince some researchers to study large tabular models.

Scientific progress increasingly depends on synthesizing knowledge across vast literature, yet most experimental data remains trapped in semi-structured formats that resist systematic extraction and analysis. Here, we present MatSKRAFT, a computational framework that automatically extracts and integrates materials science knowledge from tabular data at unprecedented scale. Our approach transforms tables into graph-based representations processed by constraint-driven GNNs that encode scientific principles directly into model architecture. MatSKRAFT significantly outperforms state-of-the-art large language models, achieving F1 scores of 88.68 for property extraction and 71.35 for composition extraction, while processing data 19-496times faster than them (compared to the slowest and the fastest models, respectively) with modest hardware requirements. Applied to nearly 69,000 tables from more than 47,000 research publications, we construct a comprehensive database containing over 535,000 entries, including 104,000 compositions that expand coverage beyond major existing databases, pending manual validation. This systematic approach reveals previously overlooked materials with distinct property combinations and enables data-driven discovery of composition-property relationships forming the cornerstone of materials and scientific discovery.

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.

Recent breakthroughs in large language modeling have facilitated rigorous exploration of their application in diverse tasks related to tabular data modeling, such as prediction, tabular data synthesis, question answering, and table understanding. Each task presents unique challenges and opportunities. However, there is currently a lack of comprehensive review that summarizes and compares the key techniques, metrics, datasets, models, and optimization approaches in this research domain. This survey aims to address this gap by consolidating recent progress in these areas, offering a thorough survey and taxonomy of the datasets, metrics, and methodologies utilized. It identifies strengths, limitations, unexplored territories, and gaps in the existing literature, while providing some insights for future research directions in this vital and rapidly evolving field. It also provides relevant code and datasets references. Through this comprehensive review, we hope to provide interested readers with pertinent references and insightful perspectives, empowering them with the necessary tools and knowledge to effectively navigate and address the prevailing challenges in the field.

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.

Tabular data is a crucial form of information expression, which can organize data in a standard structure for easy information retrieval and comparison. However, in financial industry and many other fields tables are often disclosed in unstructured digital files, e.g. Portable Document Format (PDF) and images, which are difficult to be extracted directly. In this paper, to facilitate deep learning based table extraction from unstructured digital files, we publish a standard Chinese dataset named FinTab, which contains more than 1,600 financial tables of diverse kinds and their corresponding structure representation in JSON. In addition, we propose a novel graph-based convolutional neural network model named GFTE as a baseline for future comparison. GFTE integrates image feature, position feature and textual feature together for precise edge prediction and reaches overall good results.

We present TableBank, a new image-based table detection and recognition dataset built with novel weak supervision from Word and Latex documents on the internet. Existing research for image-based table detection and recognition usually fine-tunes pre-trained models on out-of-domain data with a few thousand human-labeled examples, which is difficult to generalize on real-world applications. With TableBank that contains 417K high quality labeled tables, we build several strong baselines using state-of-the-art models with deep neural networks. We make TableBank publicly available and hope it will empower more deep learning approaches in the table detection and recognition task. The dataset and models are available at https://github.com/doc-analysis/TableBank.

The stylo package includes a frequency table that can be used to calculate distances between texts and thus independently solve the problem of attribution of The Cuckoo's Calling, a novel that J.K. Rowling said she wrote. However, the set of texts for this table is very vulnerable to criticism. The authors there are not modern, they wrote in a different genre. I set out to test the performance of the method on texts that are more relevant to the research question.

Property prediction accuracy has long been a key parameter of machine learning in materials informatics. Accordingly, advanced models showing state-of-the-art performance turn into highly parameterized black boxes missing interpretability. Here, we present an elegant way to make their reasoning transparent. Human-readable text-based descriptions automatically generated within a suite of open-source tools are proposed as materials representation. Transformer language models pretrained on 2 million peer-reviewed articles take as input well-known terms, e.g., chemical composition, crystal symmetry, and site geometry. Our approach outperforms crystal graph networks by classifying four out of five analyzed properties if one considers all available reference data. Moreover, fine-tuned text-based models show high accuracy in the ultra-small data limit. Explanations of their internal machinery are produced using local interpretability techniques and are faithful and consistent with domain expert rationales. This language-centric framework makes accurate property predictions accessible to people without artificial-intelligence expertise.

To overcome the limitations and challenges of current automatic table data annotation methods and random table data synthesis approaches, we propose a novel method for synthesizing annotation data specifically designed for table recognition. This method utilizes the structure and content of existing complex tables, facilitating the efficient creation of tables that closely replicate the authentic styles found in the target domain. By leveraging the actual structure and content of tables from Chinese financial announcements, we have developed the first extensive table annotation dataset in this domain. We used this dataset to train several recent deep learning-based end-to-end table recognition models. Additionally, we have established the inaugural benchmark for real-world complex tables in the Chinese financial announcement domain, using it to assess the performance of models trained on our synthetic data, thereby effectively validating our method's practicality and effectiveness. Furthermore, we applied our synthesis method to augment the FinTabNet dataset, extracted from English financial announcements, by increasing the proportion of tables with multiple spanning cells to introduce greater complexity. Our experiments show that models trained on this augmented dataset achieve comprehensive improvements in performance, especially in the recognition of tables with multiple spanning cells.

Recent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from literature review to experimental design and data analysis. A key capability for such systems is the ability to process and reason about scientific information in both visual and textual forms - from interpreting spectroscopic data to understanding laboratory setups. Here, we introduce MaCBench, a comprehensive benchmark for evaluating how vision-language models handle real-world chemistry and materials science tasks across three core aspects: data extraction, experimental understanding, and results interpretation. Through a systematic evaluation of leading models, we find that while these systems show promising capabilities in basic perception tasks - achieving near-perfect performance in equipment identification and standardized data extraction - they exhibit fundamental limitations in spatial reasoning, cross-modal information synthesis, and multi-step logical inference. Our insights have important implications beyond chemistry and materials science, suggesting that developing reliable multimodal AI scientific assistants may require advances in curating suitable training data and approaches to training those models.

Understanding the relationship between figures and text is key to scientific document understanding. Medical figures in particular are quite complex, often consisting of several subfigures (75% of figures in our dataset), with detailed text describing their content. Previous work studying figures in scientific papers focused on classifying figure content rather than understanding how images relate to the text. To address challenges in figure retrieval and figure-to-text alignment, we introduce MedICaT, a dataset of medical images in context. MedICaT consists of 217K images from 131K open access biomedical papers, and includes captions, inline references for 74% of figures, and manually annotated subfigures and subcaptions for a subset of figures. Using MedICaT, we introduce the task of subfigure to subcaption alignment in compound figures and demonstrate the utility of inline references in image-text matching. Our data and code can be accessed at https://github.com/allenai/medicat.

Scientific literature is typically dense, requiring significant background knowledge and deep comprehension for effective engagement. We introduce SciDQA, a new dataset for reading comprehension that challenges LLMs for a deep understanding of scientific articles, consisting of 2,937 QA pairs. Unlike other scientific QA datasets, SciDQA sources questions from peer reviews by domain experts and answers by paper authors, ensuring a thorough examination of the literature. We enhance the dataset's quality through a process that carefully filters out lower quality questions, decontextualizes the content, tracks the source document across different versions, and incorporates a bibliography for multi-document question-answering. Questions in SciDQA necessitate reasoning across figures, tables, equations, appendices, and supplementary materials, and require multi-document reasoning. We evaluate several open-source and proprietary LLMs across various configurations to explore their capabilities in generating relevant and factual responses. Our comprehensive evaluation, based on metrics for surface-level similarity and LLM judgements, highlights notable performance discrepancies. SciDQA represents a rigorously curated, naturally derived scientific QA dataset, designed to facilitate research on complex scientific text understanding.

Tables are prevalent in real-world databases, requiring significant time and effort for humans to analyze and manipulate. The advancements in large language models (LLMs) have made it possible to interact with tables using natural language input, bringing this capability closer to reality. In this paper, we present TableGPT, a unified fine-tuned framework that enables LLMs to understand and operate on tables using external functional commands. It introduces the capability to seamlessly interact with tables, enabling a wide range of functionalities such as question answering, data manipulation (e.g., insert, delete, query, and modify operations), data visualization, analysis report generation, and automated prediction. TableGPT aims to provide convenience and accessibility to users by empowering them to effortlessly leverage tabular data. At the core of TableGPT lies the novel concept of global tabular representations, which empowers LLMs to gain a comprehensive understanding of the entire table beyond meta-information. By jointly training LLMs on both table and text modalities, TableGPT achieves a deep understanding of tabular data and the ability to perform complex operations on tables through chain-of-command instructions. Importantly, TableGPT offers the advantage of being a self-contained system rather than relying on external API interfaces. Moreover, it supports efficient data process flow, query rejection (when appropriate) and private deployment, enabling faster domain data fine-tuning and ensuring data privacy, which enhances the framework's adaptability to specific use cases.

Scientific knowledge is predominantly stored in books and scientific journals, often in the form of PDFs. However, the PDF format leads to a loss of semantic information, particularly for mathematical expressions. We propose Nougat (Neural Optical Understanding for Academic Documents), a Visual Transformer model that performs an Optical Character Recognition (OCR) task for processing scientific documents into a markup language, and demonstrate the effectiveness of our model on a new dataset of scientific documents. The proposed approach offers a promising solution to enhance the accessibility of scientific knowledge in the digital age, by bridging the gap between human-readable documents and machine-readable text. We release the models and code to accelerate future work on scientific text recognition.

Mechanistic Interpretability (MI) promises a path toward fully understanding how neural networks make their predictions. Prior work demonstrates that even when trained to perform simple arithmetic, models can implement a variety of algorithms (sometimes concurrently) depending on initialization and hyperparameters. Does this mean neuron-level interpretability techniques have limited applicability? We argue that high-dimensional neural networks can learn low-dimensional representations of their training data that are useful beyond simply making good predictions. Such representations can be understood through the mechanistic interpretability lens and provide insights that are surprisingly faithful to human-derived domain knowledge. This indicates that such approaches to interpretability can be useful for deriving a new understanding of a problem from models trained to solve it. As a case study, we extract nuclear physics concepts by studying models trained to reproduce nuclear data.

The data landscape is rich with structured data, often of high value to organizations, driving important applications in data analysis and machine learning. Recent progress in representation learning and generative models for such data has led to the development of natural language interfaces to structured data, including those leveraging text-to-SQL. Contextualizing interactions, either through conversational interfaces or agentic components, in structured data through retrieval-augmented generation can provide substantial benefits in the form of freshness, accuracy, and comprehensiveness of answers. The key question is: how do we retrieve the right table(s) for the analytical query or task at hand? To this end, we introduce TARGET: a benchmark for evaluating TAble Retrieval for GEnerative Tasks. With TARGET we analyze the retrieval performance of different retrievers in isolation, as well as their impact on downstream tasks. We find that dense embedding-based retrievers far outperform a BM25 baseline which is less effective than it is for retrieval over unstructured text. We also surface the sensitivity of retrievers across various metadata (e.g., missing table titles), and demonstrate a stark variation of retrieval performance across datasets and tasks. TARGET is available at https://target-benchmark.github.io.

Large multimodal models (LMMs) have proven flexible and generalisable across many tasks and fields. Although they have strong potential to aid scientific research, their capabilities in this domain are not well characterised. A key aspect of scientific research is the ability to understand and interpret figures, which serve as a rich, compressed source of complex information. In this work, we present SciFIBench, a scientific figure interpretation benchmark. Our main benchmark consists of a 1000-question gold set of multiple-choice questions split between two tasks across 12 categories. The questions are curated from CS arXiv paper figures and captions, using adversarial filtering to find hard negatives and human verification for quality control. We evaluate 26 LMMs on SciFIBench, finding it to be a challenging benchmark. Finally, we investigate the alignment and reasoning faithfulness of the LMMs on augmented question sets from our benchmark. We release SciFIBench to encourage progress in this domain.

With growing attention to tabular data these days, the attempt to apply a synthetic table to various tasks has been expanded toward various scenarios. Owing to the recent advances in generative modeling, fake data generated by tabular data synthesis models become sophisticated and realistic. However, there still exists a difficulty in modeling discrete variables (columns) of tabular data. In this work, we propose to process continuous and discrete variables separately (but being conditioned on each other) by two diffusion models. The two diffusion models are co-evolved during training by reading conditions from each other. In order to further bind the diffusion models, moreover, we introduce a contrastive learning method with a negative sampling method. In our experiments with 11 real-world tabular datasets and 8 baseline methods, we prove the efficacy of the proposed method, called CoDi.

Understanding the origin(s) of life (OoL) is a fundamental challenge for science in the 21st century. Research on OoL spans many disciplines, including chemistry, physics, biology, planetary sciences, computer science, mathematics and philosophy. The sheer number of different scientific perspectives relevant to the problem has resulted in the coexistence of diverse tools, techniques, data, and software in OoL studies. This has made communication between the disciplines relevant to the OoL extremely difficult because the interpretation of data, analyses, or standards of evidence can vary dramatically. Here, we hope to bridge this wide field of study by providing common ground via the consolidation of tools and techniques rather than positing a unifying view on how life emerges. We review the common tools and techniques that have been used significantly in OoL studies in recent years. In particular, we aim to identify which information is most relevant for comparing and integrating the results of experimental analyses into mathematical and computational models. This review aims to provide a baseline expectation and understanding of technical aspects of origins research, rather than being a primer on any particular topic. As such, it spans broadly -- from analytical chemistry to mathematical models -- and highlights areas of future work that will benefit from a multidisciplinary approach to tackling the mystery of life's origin. Ultimately, we hope to empower a new generation of OoL scientists by reviewing how they can investigate life's origin, rather than dictating how to think about the problem.

Scientific problem-solving involves synthesizing information while applying expert knowledge. We introduce CURIE, a scientific long-Context Understanding,Reasoning and Information Extraction benchmark to measure the potential of Large Language Models (LLMs) in scientific problem-solving and assisting scientists in realistic workflows. This benchmark introduces ten challenging tasks with a total of 580 problems and solution pairs curated by experts in six disciplines - materials science, condensed matter physics, quantum computing, geospatial analysis, biodiversity, and proteins - covering both experimental and theoretical work-flows in science. We evaluate a range of closed and open LLMs on tasks in CURIE which requires domain expertise, comprehension of long in-context information,and multi-step reasoning. While Gemini Flash 2.0 and Claude-3 show consistent high comprehension across domains, the popular GPT-4o and command-R+ fail dramatically on protein sequencing tasks. With the best performance at 32% there is much room for improvement for all models. We hope that insights gained from CURIE can guide the future development of LLMs in sciences. Evaluation code and data are in https://github.com/google/curie

Tabular data contains rich structural semantics and plays a crucial role in organizing and manipulating information. To better capture these structural semantics, this paper introduces the HybrId-modal Preference oPtimizatiOn (HIPPO) model, which represents tables using both text and image, and optimizes MLLMs to effectively learn more comprehensive table information from these multiple modalities. Specifically, HIPPO samples model responses from hybrid-modal table representations and designs a modality-consistent sampling strategy to enhance response diversity and mitigate modality bias during DPO training. Experimental results on table question answering and table fact verification tasks demonstrate the effectiveness of HIPPO, achieving a 4% improvement over various table reasoning models. Further analysis reveals that HIPPO not only enhances reasoning abilities based on unimodal table representations but also facilitates the extraction of crucial and distinct semantics from different modal representations. All data and codes are available at https://github.com/NEUIR/HIPPO.

Language models, such as GPT-3.5 and ChatGPT, demonstrate remarkable abilities to follow diverse human instructions and perform a wide range of tasks. However, when probing language models using a range of basic table-understanding tasks, we observe that today's language models are still sub-optimal in many table-related tasks, likely because they are pre-trained predominantly on one-dimensional natural-language texts, whereas relational tables are two-dimensional objects. In this work, we propose a new "table-tuning" paradigm, where we continue to train/fine-tune language models like GPT-3.5 and ChatGPT, using diverse table-tasks synthesized from real tables as training data, with the goal of enhancing language models' ability to understand tables and perform table tasks. We show that our resulting Table-GPT models demonstrate (1) better table-understanding capabilities, by consistently outperforming the vanilla GPT-3.5 and ChatGPT, on a wide-range of table tasks, including holdout unseen tasks, and (2) strong generalizability, in its ability to respond to diverse human instructions to perform new table-tasks, in a manner similar to GPT-3.5 and ChatGPT.

An automatic table recognition method for interpretation of tabular data in document images majorly involves solving two problems of table detection and table structure recognition. The prior work involved solving both problems independently using two separate approaches. More recent works signify the use of deep learning-based solutions while also attempting to design an end to end solution. In this paper, we present an improved deep learning-based end to end approach for solving both problems of table detection and structure recognition using a single Convolution Neural Network (CNN) model. We propose CascadeTabNet: a Cascade mask Region-based CNN High-Resolution Network (Cascade mask R-CNN HRNet) based model that detects the regions of tables and recognizes the structural body cells from the detected tables at the same time. We evaluate our results on ICDAR 2013, ICDAR 2019 and TableBank public datasets. We achieved 3rd rank in ICDAR 2019 post-competition results for table detection while attaining the best accuracy results for the ICDAR 2013 and TableBank dataset. We also attain the highest accuracy results on the ICDAR 2019 table structure recognition dataset. Additionally, we demonstrate effective transfer learning and image augmentation techniques that enable CNNs to achieve very accurate table detection results. Code and dataset has been made available at: https://github.com/DevashishPrasad/CascadeTabNet

Recent deep learning approaches in table detection achieved outstanding performance and proved to be effective in identifying document layouts. Currently, available table detection benchmarks have many limitations, including the lack of samples diversity, simple table structure, the lack of training cases, and samples quality. In this paper, we introduce a diverse large-scale dataset for table detection with more than seven thousand samples containing a wide variety of table structures collected from many diverse sources. In addition to that, we also present baseline results using a convolutional neural network-based method to detect table structure in documents. Experimental results show the superiority of applying convolutional deep learning methods over classical computer vision-based methods. The introduction of this diverse table detection dataset will enable the community to develop high throughput deep learning methods for understanding document layout and tabular data processing.

Foundation models, particularly those that incorporate Transformer architectures, have demonstrated exceptional performance in domains such as natural language processing and image processing. Adapting these models to structured data, like tables, however, introduces significant challenges. These difficulties are even more pronounced when addressing multi-table data linked via foreign key, which is prevalent in the enterprise realm and crucial for empowering business use cases. Despite its substantial impact, research focusing on such linked business tables within enterprise settings remains a significantly important yet underexplored domain. To address this, we introduce a curated dataset sourced from an Enterprise Resource Planning (ERP) system, featuring extensive linked tables. This dataset is specifically designed to support research endeavors in table representation learning. By providing access to authentic enterprise data, our goal is to potentially enhance the effectiveness and applicability of models for real-world business contexts.

Extensive research has been conducted to explore the capabilities of large language models (LLMs) in table reasoning. However, the essential task of transforming tables information into reports remains a significant challenge for industrial applications. This task is plagued by two critical issues: 1) the complexity and diversity of tables lead to suboptimal reasoning outcomes; and 2) existing table benchmarks lack the capacity to adequately assess the practical application of this task. To fill this gap, we propose the table-to-report task and construct a bilingual benchmark named T2R-bench, where the key information flow from the tables to the reports for this task. The benchmark comprises 457 industrial tables, all derived from real-world scenarios and encompassing 19 industry domains as well as 4 types of industrial tables. Furthermore, we propose an evaluation criteria to fairly measure the quality of report generation. The experiments on 25 widely-used LLMs reveal that even state-of-the-art models like Deepseek-R1 only achieves performance with 62.71 overall score, indicating that LLMs still have room for improvement on T2R-bench. Source code and data will be available after acceptance.

Large Language Models (LLMs) have achieved remarkable progress on advanced reasoning tasks such as mathematics and coding competitions. Meanwhile, physics, despite being both reasoning-intensive and essential to real-world understanding, received limited academic and industrial attention. This paper introduces PHYSICS, a dataset containing 16,568 high-quality physics problems spanning subjects and difficulty levels, to facilitate this issue. Specifically, PHYSICS is curated with exercises from over 100 textbooks through a carefully designed pipeline for quality control. It covers five major physics domains: Mechanics, Electromagnetism, Thermodynamics, Optics, and Modern Physics. It also spans a wide range of difficulty levels, from high school to graduate-level physics courses. To utilize the data for improving and evaluating the model's physical reasoning capabilities, we split the dataset into training and test sets, and provide reasoning paths generated by powerful reasoning models for the training data to facilitate model training. In addition, for the evaluation part, we find that existing evaluation frameworks exhibit biases in aspects such as units, simplification, and precision in physics domain. To balance efficiency and accuracy, we introduce a Rule+Model evaluation framework tailored to physics problems. Our evaluations on current state-of-the-art open-source and proprietary models highlight the limitations of current models in handling physics-related tasks. We hope that our dataset and evaluation methodology will jointly advance the development of LLMs in the field of physics.

Benchmarks that closely reflect downstream application scenarios are essential for the streamlined adoption of new research in tabular machine learning (ML). In this work, we examine existing tabular benchmarks and find two common characteristics of industry-grade tabular data that are underrepresented in the datasets available to the academic community. First, tabular data often changes over time in real-world deployment scenarios. This impacts model performance and requires time-based train and test splits for correct model evaluation. Yet, existing academic tabular datasets often lack timestamp metadata to enable such evaluation. Second, a considerable portion of datasets in production settings stem from extensive data acquisition and feature engineering pipelines. For each specific dataset, this can have a different impact on the absolute and relative number of predictive, uninformative, and correlated features, which in turn can affect model selection. To fill the aforementioned gaps in academic benchmarks, we introduce TabReD -- a collection of eight industry-grade tabular datasets covering a wide range of domains from finance to food delivery services. We assess a large number of tabular ML models in the feature-rich, temporally-evolving data setting facilitated by TabReD. We demonstrate that evaluation on time-based data splits leads to different methods ranking, compared to evaluation on random splits more common in academic benchmarks. Furthermore, on the TabReD datasets, MLP-like architectures and GBDT show the best results, while more sophisticated DL models are yet to prove their effectiveness.

Recently, the Natural Language Inference (NLI) task has been studied for semi-structured tables that do not have a strict format. Although neural approaches have achieved high performance in various types of NLI, including NLI between semi-structured tables and texts, they still have difficulty in performing a numerical type of inference, such as counting. To handle a numerical type of inference, we propose a logical inference system for reasoning between semi-structured tables and texts. We use logical representations as meaning representations for tables and texts and use model checking to handle a numerical type of inference between texts and tables. To evaluate the extent to which our system can perform inference with numerical comparatives, we make an evaluation protocol that focuses on numerical understanding between semi-structured tables and texts in English. We show that our system can more robustly perform inference between tables and texts that requires numerical understanding compared with current neural approaches.

Novel Class Discovery (NCD) is the problem of trying to discover novel classes in an unlabeled set, given a labeled set of different but related classes. The majority of NCD methods proposed so far only deal with image data, despite tabular data being among the most widely used type of data in practical applications. To interpret the results of clustering or NCD algorithms, data scientists need to understand the domain- and application-specific attributes of tabular data. This task is difficult and can often only be performed by a domain expert. Therefore, this interface allows a domain expert to easily run state-of-the-art algorithms for NCD in tabular data. With minimal knowledge in data science, interpretable results can be generated.

We focus on electronic theses and dissertations (ETDs), aiming to improve access and expand their utility, since more than 6 million are publicly available, and they constitute an important corpus to aid research and education across disciplines. The corpus is growing as new born-digital documents are included, and since millions of older theses and dissertations have been converted to digital form to be disseminated electronically in institutional repositories. In ETDs, as with other scholarly works, figures and tables can communicate a large amount of information in a concise way. Although methods have been proposed for extracting figures and tables from born-digital PDFs, they do not work well with scanned ETDs. Considering this problem, our assessment of state-of-the-art figure extraction systems is that the reason they do not function well on scanned PDFs is that they have only been trained on born-digital documents. To address this limitation, we present ScanBank, a new dataset containing 10 thousand scanned page images, manually labeled by humans as to the presence of the 3.3 thousand figures or tables found therein. We use this dataset to train a deep neural network model based on YOLOv5 to accurately extract figures and tables from scanned ETDs. We pose and answer important research questions aimed at finding better methods for figure extraction from scanned documents. One of those concerns the value for training, of data augmentation techniques applied to born-digital documents which are used to train models better suited for figure extraction from scanned documents. To the best of our knowledge, ScanBank is the first manually annotated dataset for figure and table extraction for scanned ETDs. A YOLOv5-based model, trained on ScanBank, outperforms existing comparable open-source and freely available baseline methods by a considerable margin.

Corpora that contain tabular data such as WebTables are a vital resource for the academic community. Essentially, they are the backbone of any modern research in information management. They are used for various tasks of data extraction, knowledge base construction, question answering, column semantic type detection and many other. Such corpora are useful not only as a source of data, but also as a base for building test datasets. So far, there were no such corpora for the Russian language and this seriously hindered research in the aforementioned areas. In this paper, we present the first corpus of Web tables created specifically out of Russian language material. It was built via a special toolkit we have developed to crawl the Russian Wikipedia. Both the corpus and the toolkit are open-source and publicly available. Finally, we present a short study that describes Russian Wikipedia tables and their statistics.

Recent advancements in NLP have witnessed the groundbreaking impact of pretrained models, yielding impressive outcomes across various tasks. This study seeks to extend the power of pretraining methodologies to facilitating the prediction over tables in data science, a domain traditionally overlooked, yet inherently challenging due to the plethora of table schemas intrinsic to different tasks. The primary research questions underpinning this work revolve around the establishment of a universal pretraining protocol for tables with varied structures, the generalizability and transferability of learned knowledge across tasks, the adaptation to diverse downstream applications, and the incorporation of incremental columns over time. In response to these challenges, we introduce UniTabE, a straightforward yet effective method designed to process tables in a uniform manner, devoid of constraints imposed by specific table structures. UniTabE's core concept relies on representing each basic table element with a module, termed TabUnit. This is subsequently followed by a Transformer encoder to refine the representation. Moreover, our model is designed to facilitate pretraining and finetuning through the utilization of free-form prompts. In order to implement the pretraining phase, we curated an expansive tabular dataset comprising approximately 13B samples, meticulously gathered from the Kaggle platform. This research primarily centers on classification and regression tasks involving tabular data, and conducts rigorous experimental testing and analyses to validate the effectiveness of our methodology. The experimental results demonstrate UniTabE's superior performance against several baselines across massive benchmarks. This, therefore, underscores UniTabE's potential to significantly enhance the semantic representation of tabular data, thereby marking a significant stride for tabular data analysis.

The ever-increasing number of materials science articles makes it hard to infer chemistry-structure-property relations from published literature. We used natural language processing (NLP) methods to automatically extract material property data from the abstracts of polymer literature. As a component of our pipeline, we trained MaterialsBERT, a language model, using 2.4 million materials science abstracts, which outperforms other baseline models in three out of five named entity recognition datasets when used as the encoder for text. Using this pipeline, we obtained ~300,000 material property records from ~130,000 abstracts in 60 hours. The extracted data was analyzed for a diverse range of applications such as fuel cells, supercapacitors, and polymer solar cells to recover non-trivial insights. The data extracted through our pipeline is made available through a web platform at https://polymerscholar.org which can be used to locate material property data recorded in abstracts conveniently. This work demonstrates the feasibility of an automatic pipeline that starts from published literature and ends with a complete set of extracted material property information.

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and reasoning on textbook-style science questions, but few if any benchmarks are designed to evaluate language model performance on practical tasks required for scientific research, such as literature search, protocol planning, and data analysis. As a step toward building such benchmarks, we introduce the Language Agent Biology Benchmark (LAB-Bench), a broad dataset of over 2,400 multiple choice questions for evaluating AI systems on a range of practical biology research capabilities, including recall and reasoning over literature, interpretation of figures, access and navigation of databases, and comprehension and manipulation of DNA and protein sequences. Importantly, in contrast to previous scientific benchmarks, we expect that an AI system that can achieve consistently high scores on the more difficult LAB-Bench tasks would serve as a useful assistant for researchers in areas such as literature search and molecular cloning. As an initial assessment of the emergent scientific task capabilities of frontier language models, we measure performance of several against our benchmark and report results compared to human expert biology researchers. We will continue to update and expand LAB-Bench over time, and expect it to serve as a useful tool in the development of automated research systems going forward. A public subset of LAB-Bench is available for use at the following URL: https://huggingface.co/datasets/futurehouse/lab-bench

Currently, a substantial volume of document data exists in an unstructured format, encompassing Portable Document Format (PDF) files and images. Extracting information from these documents presents formidable challenges due to diverse table styles, complex forms, and the inclusion of different languages. Several open-source toolkits, such as Camelot, Plumb a PDF (pdfnumber), and Paddle Paddle Structure V2 (PP-StructureV2), have been developed to facilitate table extraction from PDFs or images. However, each toolkit has its limitations. Camelot and pdfnumber can solely extract tables from digital PDFs and cannot handle image-based PDFs and pictures. On the other hand, PP-StructureV2 can comprehensively extract image-based PDFs and tables from pictures. Nevertheless, it lacks the ability to differentiate between diverse application scenarios, such as wired tables and wireless tables, digital PDFs, and image-based PDFs. To address these issues, we have introduced the PDF table extraction (PdfTable) toolkit. This toolkit integrates numerous open-source models, including seven table recognition models, four Optical character recognition (OCR) recognition tools, and three layout analysis models. By refining the PDF table extraction process, PdfTable achieves adaptability across various application scenarios. We substantiate the efficacy of the PdfTable toolkit through verification on a self-labeled wired table dataset and the open-source wireless Publicly Table Reconition Dataset (PubTabNet). The PdfTable code will available on Github: https://github.com/CycloneBoy/pdf_table.

Information overload is a major obstacle to scientific progress. The explosive growth in scientific literature and data has made it ever harder to discover useful insights in a large mass of information. Today scientific knowledge is accessed through search engines, but they are unable to organize scientific knowledge alone. In this paper we introduce Galactica: a large language model that can store, combine and reason about scientific knowledge. We train on a large scientific corpus of papers, reference material, knowledge bases and many other sources. We outperform existing models on a range of scientific tasks. On technical knowledge probes such as LaTeX equations, Galactica outperforms the latest GPT-3 by 68.2% versus 49.0%. Galactica also performs well on reasoning, outperforming Chinchilla on mathematical MMLU by 41.3% to 35.7%, and PaLM 540B on MATH with a score of 20.4% versus 8.8%. It also sets a new state-of-the-art on downstream tasks such as PubMedQA and MedMCQA dev of 77.6% and 52.9%. And despite not being trained on a general corpus, Galactica outperforms BLOOM and OPT-175B on BIG-bench. We believe these results demonstrate the potential for language models as a new interface for science. We open source the model for the benefit of the scientific community.

Scientific documents record research findings and valuable human knowledge, comprising a vast corpus of high-quality data. Leveraging multi-modality data extracted from these documents and assessing large models' abilities to handle scientific document-oriented tasks is therefore meaningful. Despite promising advancements, large models still perform poorly on multi-page scientific document extraction and understanding tasks, and their capacity to process within-document data formats such as charts and equations remains under-explored. To address these issues, we present DocGenome, a structured document benchmark constructed by annotating 500K scientific documents from 153 disciplines in the arXiv open-access community, using our custom auto-labeling pipeline. DocGenome features four key characteristics: 1) Completeness: It is the first dataset to structure data from all modalities including 13 layout attributes along with their LaTeX source codes. 2) Logicality: It provides 6 logical relationships between different entities within each scientific document. 3) Diversity: It covers various document-oriented tasks, including document classification, visual grounding, document layout detection, document transformation, open-ended single-page QA and multi-page QA. 4) Correctness: It undergoes rigorous quality control checks conducted by a specialized team. We conduct extensive experiments to demonstrate the advantages of DocGenome and objectively evaluate the performance of large models on our benchmark.

Scientific knowledge is growing rapidly, making it challenging to track progress and high-level conceptual links across broad disciplines. While existing tools like citation networks and search engines make it easy to access a few related papers, they fundamentally lack the flexible abstraction needed to represent the density of activity in various scientific subfields. We motivate SCIENCE HIERARCHOGRAPHY, the goal of organizing scientific literature into a high-quality hierarchical structure that allows for the categorization of scientific work across varying levels of abstraction, from very broad fields to very specific studies. Such a representation can provide insights into which fields are well-explored and which are under-explored. To achieve the goals of SCIENCE HIERARCHOGRAPHY, we develop a range of algorithms. Our primary approach combines fast embedding-based clustering with LLM-based prompting to balance the computational efficiency of embedding methods with the semantic precision offered by LLM prompting. We demonstrate that this approach offers the best trade-off between quality and speed compared to methods that heavily rely on LLM prompting, such as iterative tree construction with LLMs. To better reflect the interdisciplinary and multifaceted nature of research papers, our hierarchy captures multiple dimensions of categorization beyond simple topic labels. We evaluate the utility of our framework by assessing how effectively an LLM-based agent can locate target papers using the hierarchy. Results show that this structured approach enhances interpretability, supports trend discovery, and offers an alternative pathway for exploring scientific literature beyond traditional search methods. Code, data and demo: https://github.com/JHU-CLSP/science-hierarchography{https://github.com/JHU-CLSP/science-hierarchography}

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within the context of scientific discovery, focusing on GPT-4, the state-of-the-art language model. Our investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial differential equations (PDE). Evaluating GPT-4 on scientific tasks is crucial for uncovering its potential across various research domains, validating its domain-specific expertise, accelerating scientific progress, optimizing resource allocation, guiding future model development, and fostering interdisciplinary research. Our exploration methodology primarily consists of expert-driven case assessments, which offer qualitative insights into the model's comprehension of intricate scientific concepts and relationships, and occasionally benchmark testing, which quantitatively evaluates the model's capacity to solve well-defined domain-specific problems. Our preliminary exploration indicates that GPT-4 exhibits promising potential for a variety of scientific applications, demonstrating its aptitude for handling complex problem-solving and knowledge integration tasks. Broadly speaking, we evaluate GPT-4's knowledge base, scientific understanding, scientific numerical calculation abilities, and various scientific prediction capabilities.

Portable Document Format (PDF) files are dominantly used for storing and disseminating scientific research, legal documents, and tax information. LaTeX is a popular application for creating PDF documents. Despite its advantages, LaTeX is not WYSWYG -- what you see is what you get, i.e., the LaTeX source and rendered PDF images look drastically different, especially for formulae and tables. This gap makes it hard to modify or export LaTeX sources for formulae and tables from PDF images, and existing work is still limited. First, prior work generates LaTeX sources in a single iteration and struggles with complex LaTeX formulae. Second, existing work mainly recognizes and extracts LaTeX sources for formulae; and is incapable or ineffective for tables. This paper proposes LATTE, the first iterative refinement framework for LaTeX recognition. Specifically, we propose delta-view as feedback, which compares and pinpoints the differences between a pair of rendered images of the extracted LaTeX source and the expected correct image. Such delta-view feedback enables our fault localization model to localize the faulty parts of the incorrect recognition more accurately and enables our LaTeX refinement model to repair the incorrect extraction more accurately. LATTE improves the LaTeX source extraction accuracy of both LaTeX formulae and tables, outperforming existing techniques as well as GPT-4V by at least 7.07% of exact match, with a success refinement rate of 46.08% (formula) and 25.51% (table).

The rapid advancement of Large Language Models (LLMs) and Large Multimodal Models (LMMs) has heightened the demand for AI-based scientific assistants capable of understanding scientific articles and figures. Despite progress, there remains a significant gap in evaluating models' comprehension of professional, graduate-level, and even PhD-level scientific content. Current datasets and benchmarks primarily focus on relatively simple scientific tasks and figures, lacking comprehensive assessments across diverse advanced scientific disciplines. To bridge this gap, we collected a multimodal, multidisciplinary dataset from open-access scientific articles published in Nature Communications journals. This dataset spans 72 scientific disciplines, ensuring both diversity and quality. We created benchmarks with various tasks and settings to comprehensively evaluate LMMs' capabilities in understanding scientific figures and content. Our evaluation revealed that these tasks are highly challenging: many open-source models struggled significantly, and even GPT-4V and GPT-4o faced difficulties. We also explored using our dataset as training resources by constructing visual instruction-following data, enabling the 7B LLaVA model to achieve performance comparable to GPT-4V/o on our benchmark. Additionally, we investigated the use of our interleaved article texts and figure images for pre-training LMMs, resulting in improvements on the material generation task. The source dataset, including articles, figures, constructed benchmarks, and visual instruction-following data, is open-sourced.

Spreadsheets are widely used for table manipulation and presentation. Stylistic formatting of these tables is an important property for both presentation and analysis. As a result, popular spreadsheet software, such as Excel, supports automatically formatting tables based on rules. Unfortunately, writing such formatting rules can be challenging for users as it requires knowledge of the underlying rule language and data logic. We present CORNET, a system that tackles the novel problem of automatically learning such formatting rules from user examples in the form of formatted cells. CORNET takes inspiration from advances in inductive programming and combines symbolic rule enumeration with a neural ranker to learn conditional formatting rules. To motivate and evaluate our approach, we extracted tables with over 450K unique formatting rules from a corpus of over 1.8M real worksheets. Since we are the first to introduce conditional formatting, we compare CORNET to a wide range of symbolic and neural baselines adapted from related domains. Our results show that CORNET accurately learns rules across varying evaluation setups. Additionally, we show that CORNET finds shorter rules than those that a user has written and discovers rules in spreadsheets that users have manually formatted.

This manual is intended to provide a detailed description of the DIML/CVL RGB-D dataset. This dataset is comprised of 2M color images and their corresponding depth maps from a great variety of natural indoor and outdoor scenes. The indoor dataset was constructed using the Microsoft Kinect v2, while the outdoor dataset was built using the stereo cameras (ZED stereo camera and built-in stereo camera). Table I summarizes the details of our dataset, including acquisition, processing, format, and toolbox. Refer to Section II and III for more details.

Historical materials are abundant. Yet, piecing together how human knowledge has evolved and spread both diachronically and synchronically remains a challenge that can so far only be very selectively addressed. The vast volume of materials precludes comprehensive studies, given the restricted number of human specialists. However, as large amounts of historical materials are now available in digital form there is a promising opportunity for AI-assisted historical analysis. In this work, we take a pivotal step towards analyzing vast historical corpora by employing innovative machine learning (ML) techniques, enabling in-depth historical insights on a grand scale. Our study centers on the evolution of knowledge within the `Sacrobosco Collection' -- a digitized collection of 359 early modern printed editions of textbooks on astronomy used at European universities between 1472 and 1650 -- roughly 76,000 pages, many of which contain astronomic, computational tables. An ML based analysis of these tables helps to unveil important facets of the spatio-temporal evolution of knowledge and innovation in the field of mathematical astronomy in the period, as taught at European universities.

Benchmark datasets for table structure recognition (TSR) must be carefully processed to ensure they are annotated consistently. However, even if a dataset's annotations are self-consistent, there may be significant inconsistency across datasets, which can harm the performance of models trained and evaluated on them. In this work, we show that aligning these benchmarksx2014removing both errors and inconsistency between themx2014improves model performance significantly. We demonstrate this through a data-centric approach where we adopt a single model architecture, the Table Transformer (TATR), that we hold fixed throughout. Baseline exact match accuracy for TATR evaluated on the ICDAR-2013 benchmark is 65% when trained on PubTables-1M, 42% when trained on FinTabNet, and 69% combined. After reducing annotation mistakes and inter-dataset inconsistency, performance of TATR evaluated on ICDAR-2013 increases substantially to 75% when trained on PubTables-1M, 65% when trained on FinTabNet, and 81% combined. We show through ablations over the modification steps that canonicalization of the table annotations has a significantly positive effect on performance, while other choices balance necessary trade-offs that arise when deciding a benchmark dataset's final composition. Overall we believe our work has significant implications for benchmark design for TSR and potentially other tasks as well. All dataset processing and training code will be released.

Novel machine learning methods for tabular data generation are often developed on small datasets which do not match the scale required for scientific applications. We investigate a recent proposal to use XGBoost as the function approximator in diffusion and flow-matching models on tabular data, which proved to be extremely memory intensive, even on tiny datasets. In this work, we conduct a critical analysis of the existing implementation from an engineering perspective, and show that these limitations are not fundamental to the method; with better implementation it can be scaled to datasets 370x larger than previously used. Our efficient implementation also unlocks scaling models to much larger sizes which we show directly leads to improved performance on benchmark tasks. We also propose algorithmic improvements that can further benefit resource usage and model performance, including multi-output trees which are well-suited to generative modeling. Finally, we present results on large-scale scientific datasets derived from experimental particle physics as part of the Fast Calorimeter Simulation Challenge. Code is available at https://github.com/layer6ai-labs/calo-forest.

We present ScienceWorld, a benchmark to test agents' scientific reasoning abilities in a new interactive text environment at the level of a standard elementary school science curriculum. Despite the transformer-based progress seen in question-answering and scientific text processing, we find that current models cannot reason about or explain learned science concepts in novel contexts. For instance, models can easily answer what the conductivity of a known material is but struggle when asked how they would conduct an experiment in a grounded environment to find the conductivity of an unknown material. This begs the question of whether current models are simply retrieving answers by way of seeing a large number of similar examples or if they have learned to reason about concepts in a reusable manner. We hypothesize that agents need to be grounded in interactive environments to achieve such reasoning capabilities. Our experiments provide empirical evidence supporting this hypothesis -- showing that a 1.5 million parameter agent trained interactively for 100k steps outperforms a 11 billion parameter model statically trained for scientific question-answering and reasoning from millions of expert demonstrations.

We present TNCR, a new table dataset with varying image quality collected from free websites. The TNCR dataset can be used for table detection in scanned document images and their classification into 5 different classes. TNCR contains 9428 high-quality labeled images. In this paper, we have implemented state-of-the-art deep learning-based methods for table detection to create several strong baselines. Cascade Mask R-CNN with ResNeXt-101-64x4d Backbone Network achieves the highest performance compared to other methods with a precision of 79.7%, recall of 89.8%, and f1 score of 84.4% on the TNCR dataset. We have made TNCR open source in the hope of encouraging more deep learning approaches to table detection, classification, and structure recognition. The dataset and trained model checkpoints are available at https://github.com/abdoelsayed2016/TNCR_Dataset.

Data visualization in the form of charts plays a pivotal role in data analysis, offering critical insights and aiding in informed decision-making. Automatic chart understanding has witnessed significant advancements with the rise of large foundation models in recent years. Foundation models, such as large language models, have revolutionized various natural language processing tasks and are increasingly being applied to chart understanding tasks. This survey paper provides a comprehensive overview of the recent developments, challenges, and future directions in chart understanding within the context of these foundation models. We review fundamental building blocks crucial for studying chart understanding tasks. Additionally, we explore various tasks and their evaluation metrics and sources of both charts and textual inputs. Various modeling strategies are then examined, encompassing both classification-based and generation-based approaches, along with tool augmentation techniques that enhance chart understanding performance. Furthermore, we discuss the state-of-the-art performance of each task and discuss how we can improve the performance. Challenges and future directions are addressed, highlighting the importance of several topics, such as domain-specific charts, lack of efforts in developing evaluation metrics, and agent-oriented settings. This survey paper serves as a comprehensive resource for researchers and practitioners in the fields of natural language processing, computer vision, and data analysis, providing valuable insights and directions for future research in chart understanding leveraging large foundation models. The studies mentioned in this paper, along with emerging new research, will be continually updated at: https://github.com/khuangaf/Awesome-Chart-Understanding.

We consider the use of automated supervised learning systems for data tables that not only contain numeric/categorical columns, but one or more text fields as well. Here we assemble 18 multimodal data tables that each contain some text fields and stem from a real business application. Our publicly-available benchmark enables researchers to comprehensively evaluate their own methods for supervised learning with numeric, categorical, and text features. To ensure that any single modeling strategy which performs well over all 18 datasets will serve as a practical foundation for multimodal text/tabular AutoML, the diverse datasets in our benchmark vary greatly in: sample size, problem types (a mix of classification and regression tasks), number of features (with the number of text columns ranging from 1 to 28 between datasets), as well as how the predictive signal is decomposed between text vs. numeric/categorical features (and predictive interactions thereof). Over this benchmark, we evaluate various straightforward pipelines to model such data, including standard two-stage approaches where NLP is used to featurize the text such that AutoML for tabular data can then be applied. Compared with human data science teams, the fully automated methodology that performed best on our benchmark (stack ensembling a multimodal Transformer with various tree models) also manages to rank 1st place when fit to the raw text/tabular data in two MachineHack prediction competitions and 2nd place (out of 2380 teams) in Kaggle's Mercari Price Suggestion Challenge.

Table understanding capability of Large Language Models (LLMs) has been extensively studied through the task of question-answering (QA) over tables. Typically, only a small part of the whole table is relevant to derive the answer for a given question. The irrelevant parts act as noise and are distracting information, resulting in sub-optimal performance due to the vulnerability of LLMs to noise. To mitigate this, we propose CABINET (Content RelevAnce-Based NoIse ReductioN for TablE QuesTion-Answering) - a framework to enable LLMs to focus on relevant tabular data by suppressing extraneous information. CABINET comprises an Unsupervised Relevance Scorer (URS), trained differentially with the QA LLM, that weighs the table content based on its relevance to the input question before feeding it to the question-answering LLM (QA LLM). To further aid the relevance scorer, CABINET employs a weakly supervised module that generates a parsing statement describing the criteria of rows and columns relevant to the question and highlights the content of corresponding table cells. CABINET significantly outperforms various tabular LLM baselines, as well as GPT3-based in-context learning methods, is more robust to noise, maintains outperformance on tables of varying sizes, and establishes new SoTA performance on WikiTQ, FeTaQA, and WikiSQL datasets. We release our code and datasets at https://github.com/Sohanpatnaik106/CABINET_QA.

Tabular data is widely utilized in various machine learning tasks. Current tabular learning research predominantly focuses on closed environments, while in real-world applications, open environments are often encountered, where distribution and feature shifts occur, leading to significant degradation in model performance. Previous research has primarily concentrated on mitigating distribution shifts, whereas feature shifts, a distinctive and unexplored challenge of tabular data, have garnered limited attention. To this end, this paper conducts the first comprehensive study on feature shifts in tabular data and introduces the first tabular feature-shift benchmark (TabFSBench). TabFSBench evaluates impacts of four distinct feature-shift scenarios on four tabular model categories across various datasets and assesses the performance of large language models (LLMs) and tabular LLMs in the tabular benchmark for the first time. Our study demonstrates three main observations: (1) most tabular models have the limited applicability in feature-shift scenarios; (2) the shifted feature set importance has a linear relationship with model performance degradation; (3) model performance in closed environments correlates with feature-shift performance. Future research direction is also explored for each observation. Benchmark: https://github.com/LAMDASZ-ML/TabFSBench.

Understanding molecules is key to understanding organisms and driving advances in drug discovery, requiring interdisciplinary knowledge across chemistry and biology. Although large molecular language models have achieved notable success in interpreting molecular structures, their instruction datasets are limited to the specific knowledge from task-oriented datasets and do not fully cover the fundamental characteristics of molecules, hindering their abilities as general-purpose molecular assistants. To address this issue, we propose Mol-LLaMA, a large molecular language model that grasps the general knowledge centered on molecules via multi-modal instruction tuning. To this end, we design key data types that encompass the fundamental features of molecules, incorporating essential knowledge from molecular structures. In addition, to improve understanding of molecular features, we introduce a module that integrates complementary information from different molecular encoders, leveraging the distinct advantages of different molecular representations. Our experimental results demonstrate that Mol-LLaMA is capable of comprehending the general features of molecules and generating relevant responses to users' queries with detailed explanations, implying its potential as a general-purpose assistant for molecular analysis.

We present Mantis Shrimp, a multi-survey deep learning model for photometric redshift estimation that fuses ultra-violet (GALEX), optical (PanSTARRS), and infrared (UnWISE) imagery. Machine learning is now an established approach for photometric redshift estimation, with generally acknowledged higher performance in areas with a high density of spectroscopically identified galaxies over template-based methods. Multiple works have shown that image-based convolutional neural networks can outperform tabular-based color/magnitude models. In comparison to tabular models, image models have additional design complexities: it is largely unknown how to fuse inputs from different instruments which have different resolutions or noise properties. The Mantis Shrimp model estimates the conditional density estimate of redshift using cutout images. The density estimates are well calibrated and the point estimates perform well in the distribution of available spectroscopically confirmed galaxies with (bias = 1e-2), scatter (NMAD = 2.44e-2) and catastrophic outlier rate (eta=17.53%). We find that early fusion approaches (e.g., resampling and stacking images from different instruments) match the performance of late fusion approaches (e.g., concatenating latent space representations), so that the design choice ultimately is left to the user. Finally, we study how the models learn to use information across bands, finding evidence that our models successfully incorporates information from all surveys. The applicability of our model to the analysis of large populations of galaxies is limited by the speed of downloading cutouts from external servers; however, our model could be useful in smaller studies such as generating priors over redshift for stellar population synthesis.

In many scientific fields, large language models (LLMs) have revolutionized the way text and other modalities of data (e.g., molecules and proteins) are handled, achieving superior performance in various applications and augmenting the scientific discovery process. Nevertheless, previous surveys on scientific LLMs often concentrate on one or two fields or a single modality. In this paper, we aim to provide a more holistic view of the research landscape by unveiling cross-field and cross-modal connections between scientific LLMs regarding their architectures and pre-training techniques. To this end, we comprehensively survey over 260 scientific LLMs, discuss their commonalities and differences, as well as summarize pre-training datasets and evaluation tasks for each field and modality. Moreover, we investigate how LLMs have been deployed to benefit scientific discovery. Resources related to this survey are available at https://github.com/yuzhimanhua/Awesome-Scientific-Language-Models.

The task of condensing large chunks of textual information into concise and structured tables has gained attention recently due to the emergence of Large Language Models (LLMs) and their potential benefit for downstream tasks, such as text summarization and text mining. Previous approaches often generate tables that directly replicate information from the text, limiting their applicability in broader contexts, as text-to-table generation in real-life scenarios necessitates information extraction, reasoning, and integration. However, there is a lack of both datasets and methodologies towards this task. In this paper, we introduce LiveSum, a new benchmark dataset created for generating summary tables of competitions based on real-time commentary texts. We evaluate the performances of state-of-the-art LLMs on this task in both fine-tuning and zero-shot settings, and additionally propose a novel pipeline called T^3(Text-Tuple-Table) to improve their performances. Extensive experimental results demonstrate that LLMs still struggle with this task even after fine-tuning, while our approach can offer substantial performance gains without explicit training. Further analyses demonstrate that our method exhibits strong generalization abilities, surpassing previous approaches on several other text-to-table datasets. Our code and data can be found at https://github.com/HKUST-KnowComp/LiveSum-TTT.

Scientific reasoning is critical for developing AI scientists and supporting human researchers in advancing the frontiers of natural science discovery. However, the open-source community has primarily focused on mathematics and coding while neglecting the scientific domain, largely due to the absence of open, large-scale, high-quality, verifiable scientific reasoning datasets. To bridge this gap, we first present TextbookReasoning, an open dataset featuring truthful reference answers extracted from 12k university-level scientific textbooks, comprising 650k reasoning questions spanning 7 scientific disciplines. We further introduce MegaScience, a large-scale mixture of high-quality open-source datasets totaling 1.25 million instances, developed through systematic ablation studies that evaluate various data selection methodologies to identify the optimal subset for each publicly available scientific dataset. Meanwhile, we build a comprehensive evaluation system covering diverse subjects and question types across 15 benchmarks, incorporating comprehensive answer extraction strategies to ensure accurate evaluation metrics. Our experiments demonstrate that our datasets achieve superior performance and training efficiency with more concise response lengths compared to existing open-source scientific datasets. Furthermore, we train Llama3.1, Qwen2.5, and Qwen3 series base models on MegaScience, which significantly outperform the corresponding official instruct models in average performance. In addition, MegaScience exhibits greater effectiveness for larger and stronger models, suggesting a scaling benefit for scientific tuning. We release our data curation pipeline, evaluation system, datasets, and seven trained models to the community to advance scientific reasoning research.

Seeking answers to questions within long scientific research articles is a crucial area of study that aids readers in quickly addressing their inquiries. However, existing question-answering (QA) datasets based on scientific papers are limited in scale and focus solely on textual content. To address this limitation, we introduce SPIQA (Scientific Paper Image Question Answering), the first large-scale QA dataset specifically designed to interpret complex figures and tables within the context of scientific research articles across various domains of computer science. Leveraging the breadth of expertise and ability of multimodal large language models (MLLMs) to understand figures, we employ automatic and manual curation to create the dataset. We craft an information-seeking task involving multiple images that cover a wide variety of plots, charts, tables, schematic diagrams, and result visualizations. SPIQA comprises 270K questions divided into training, validation, and three different evaluation splits. Through extensive experiments with 12 prominent foundational models, we evaluate the ability of current multimodal systems to comprehend the nuanced aspects of research articles. Additionally, we propose a Chain-of-Thought (CoT) evaluation strategy with in-context retrieval that allows fine-grained, step-by-step assessment and improves model performance. We further explore the upper bounds of performance enhancement with additional textual information, highlighting its promising potential for future research and the dataset's impact on revolutionizing how we interact with scientific literature.

In this paper, we explore the question of whether large language models can support cost-efficient information extraction from tables. We introduce schema-driven information extraction, a new task that transforms tabular data into structured records following a human-authored schema. To assess various LLM's capabilities on this task, we present a benchmark comprised of tables from four diverse domains: machine learning papers, chemistry literature, material science journals, and webpages. We use this collection of annotated tables to evaluate the ability of open-source and API-based language models to extract information from tables covering diverse domains and data formats. Our experiments demonstrate that surprisingly competitive performance can be achieved without requiring task-specific pipelines or labels, achieving F1 scores ranging from 74.2 to 96.1, while maintaining cost efficiency. Moreover, through detailed ablation studies and analyses, we investigate the factors contributing to model success and validate the practicality of distilling compact models to reduce API reliance.

Tabular in-context learning (ICL) has recently achieved state-of-the-art (SOTA) performance on several tabular prediction tasks. Previously restricted to classification problems on small tables, recent advances such as TabPFN and TabICL have extended its use to larger datasets. While being architecturally efficient and well-adapted to tabular data structures, current table-native ICL architectures, being trained exclusively on synthetic data, do not fully leverage the rich semantics and world knowledge contained in real-world tabular data. On another end of this spectrum, tabular ICL models based on pretrained large language models such as TabuLa-8B integrate deep semantic understanding and world knowledge but are only able to make use of a small amount of context due to inherent architectural limitations. With the aim to combine the best of both these worlds, we introduce ConTextTab, integrating semantic understanding and alignment into a table-native ICL framework. By employing specialized embeddings for different data modalities and by training on large-scale real-world tabular data, our model is competitive with SOTA across a broad set of benchmarks while setting a new standard on the semantically rich CARTE benchmark.

Tabular data is prevalent across diverse domains in machine learning. While classical methods like tree-based models have long been effective, Deep Neural Network (DNN)-based methods have recently demonstrated promising performance. However, the diverse characteristics of methods and the inherent heterogeneity of tabular datasets make understanding and interpreting tabular methods both challenging and prone to unstable observations. In this paper, we conduct in-depth evaluations and comprehensive analyses of tabular methods, with a particular focus on DNN-based models, using a benchmark of over 300 tabular datasets spanning a wide range of task types, sizes, and domains. First, we perform an extensive comparison of 32 state-of-the-art deep and tree-based methods, evaluating their average performance across multiple criteria. Although method ranks vary across datasets, we empirically find that top-performing methods tend to concentrate within a small subset of tabular models, regardless of the criteria used. Next, we investigate whether the training dynamics of deep tabular models can be predicted based on dataset properties. This approach not only offers insights into the behavior of deep tabular methods but also identifies a core set of "meta-features" that reflect dataset heterogeneity. The other subset includes datasets where method ranks are consistent with the overall benchmark, acting as a reliable probe for further tabular analysis.

Language-molecule models have emerged as an exciting direction for molecular discovery and understanding. However, training these models is challenging due to the scarcity of molecule-language pair datasets. At this point, datasets have been released which are 1) small and scraped from existing databases, 2) large but noisy and constructed by performing entity linking on the scientific literature, and 3) built by converting property prediction datasets to natural language using templates. In this document, we detail the L+M-24 dataset, which has been created for the Language + Molecules Workshop shared task at ACL 2024. In particular, L+M-24 is designed to focus on three key benefits of natural language in molecule design: compositionality, functionality, and abstraction.

We present a new regular grid search algorithm for quick fixed-radius nearest-neighbor lookup developed in Python. This module indexes a set of k-dimensional points in a regular grid, with optional periodic conditions, providing a fast approach for nearest neighbors queries. In this first installment we provide three types of queries: bubble, shell and the nth-nearest; as well as three different metrics of interest in astronomy: the euclidean and two distance functions in spherical coordinates of varying precision, haversine and Vincenty; and the possibility of providing a custom distance function. This package results particularly useful for large datasets where a brute-force search turns impractical.

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.

In this paper, we present a novel approach to knowledge extraction and retrieval using Natural Language Processing (NLP) techniques for material science. Our goal is to automatically mine structured knowledge from millions of research articles in the field of polycrystalline materials and make it easily accessible to the broader community. The proposed method leverages NLP techniques such as entity recognition and document classification to extract relevant information and build an extensive knowledge base, from a collection of 9.5 Million publications. The resulting knowledge base is integrated into a search engine, which enables users to search for information about specific materials, properties, and experiments with greater precision than traditional search engines like Google. We hope our results can enable material scientists quickly locate desired experimental procedures, compare their differences, and even inspire them to design new experiments. Our website will be available at Github https://github.com/Xianjun-Yang/PcMSP.git soon.

The discipline of physics stands as a cornerstone of human intellect, driving the evolution of technology and deepening our understanding of the fundamental principles of the cosmos. Contemporary literature includes some works centered on the task of solving physics problems - a crucial domain of natural language reasoning. In this paper, we evaluate the performance of frontier LLMs in solving physics problems, both mathematical and descriptive. We also employ a plethora of inference-time techniques and agentic frameworks to improve the performance of the models. This includes the verification of proposed solutions in a cumulative fashion by other, smaller LLM agents, and we perform a comparative analysis of the performance that the techniques entail. There are significant improvements when the multi-agent framework is applied to problems that the models initially perform poorly on. Furthermore, we introduce a new evaluation benchmark for physics problems, {rm P{small HYSICS}E{small VAL}}, consisting of 19,609 problems sourced from various physics textbooks and their corresponding correct solutions scraped from physics forums and educational websites. Our code and data are publicly available at https://github.com/areebuzair/PhysicsEval.

Recent advances in large language models (LLMs) have demonstrated notable progress on many mathematical benchmarks. However, most of these benchmarks only feature problems grounded in junior and senior high school subjects, contain only multiple-choice questions, and are confined to a limited scope of elementary arithmetic operations. To address these issues, this paper introduces an expansive benchmark suite SciBench that aims to systematically examine the reasoning capabilities required for complex scientific problem solving. SciBench contains two carefully curated datasets: an open set featuring a range of collegiate-level scientific problems drawn from mathematics, chemistry, and physics textbooks, and a closed set comprising problems from undergraduate-level exams in computer science and mathematics. Based on the two datasets, we conduct an in-depth benchmark study of two representative LLMs with various prompting strategies. The results reveal that current LLMs fall short of delivering satisfactory performance, with an overall score of merely 35.80%. Furthermore, through a detailed user study, we categorize the errors made by LLMs into ten problem-solving abilities. Our analysis indicates that no single prompting strategy significantly outperforms others and some strategies that demonstrate improvements in certain problem-solving skills result in declines in other skills. We envision that SciBench will catalyze further developments in the reasoning abilities of LLMs, thereby ultimately contributing to scientific research and discovery.

Physics problem-solving is a challenging domain for large AI models, requiring integration of conceptual understanding, mathematical reasoning, and interpretation of physical diagrams. Current evaluation methodologies show notable limitations in capturing the breadth and complexity of undergraduate-level physics, underscoring the need for more rigorous assessments. To this end, we present PhysUniBench, a large-scale multimodal benchmark designed to evaluate and improve the reasoning capabilities of multimodal large language models (MLLMs) specifically on undergraduate-level physics problems. PhysUniBench consists of 3,304 physics questions spanning 8 major sub-disciplines of physics, each accompanied by one visual diagrams. The benchmark includes both open-ended and multiple-choice questions, systematically curated and difficulty-rated through an iterative model-in-the-loop process. The benchmark's construction involved a rigorous multi-stage process, including multiple roll-outs, expert-level evaluation, automated filtering of easily solved problems, and a nuanced difficulty grading system with five levels. Through extensive experiments, we observe that current state-of-the-art models encounter substantial challenges in physics reasoning. For example, GPT-4o mini achieves only about 34.2\% accuracy in the proposed PhysUniBench. These results highlight that current MLLMs struggle with advanced physics reasoning, especially on multi-step problems and those requiring precise diagram interpretation. By providing a broad and rigorous assessment tool, PhysUniBench aims to drive progress in AI for Science, encouraging the development of models with stronger physical reasoning, problem-solving skills, and multimodal understanding. The benchmark and evaluation scripts are available at https://prismax-team.github.io/PhysUniBenchmark/.

We provide here a dataset for tasks related to natural language understanding and natural language inference. The dataset contains logical puzzles in natural language from three domains: comparing puzzles, knighs and knaves, and zebra puzzles. Each puzzle is associated with the entire set of atomic questions that can be generated based on the relations and individuals occurring in the text. For each question we provide the correct answer: entailment, contradiction or ambiguity. The answer's correctness is verified against theorem provers. Good puzzles have two properties: (i) each piece of information is necessary and (ii) no unnecessary information is provided. These properties make puzzles interesting candidates for machine comprehension tasks.

In science and medicine, model interpretations may be reported as discoveries of natural phenomena or used to guide patient treatments. In such high-stakes tasks, false discoveries may lead investigators astray. These applications would therefore benefit from control over the finite-sample error rate of interpretations. We reframe black box model interpretability as a multiple hypothesis testing problem. The task is to discover "important" features by testing whether the model prediction is significantly different from what would be expected if the features were replaced with uninformative counterfactuals. We propose two testing methods: one that provably controls the false discovery rate but which is not yet feasible for large-scale applications, and an approximate testing method which can be applied to real-world data sets. In simulation, both tests have high power relative to existing interpretability methods. When applied to state-of-the-art vision and language models, the framework selects features that intuitively explain model predictions. The resulting explanations have the additional advantage that they are themselves easy to interpret.

Large language models (LLMs) have ushered in a new era for processing complex information in various fields, including science. The increasing amount of scientific literature allows these models to acquire and understand scientific knowledge effectively, thus improving their performance in a wide range of tasks. Due to the power of LLMs, they require extremely expensive computational resources, intense amounts of data, and training time. Therefore, in recent years, researchers have proposed various methodologies to make scientific LLMs more affordable. The most well-known approaches align in two directions. It can be either focusing on the size of the models or enhancing the quality of data. To date, a comprehensive review of these two families of methods has not yet been undertaken. In this paper, we (I) summarize the current advances in the emerging abilities of LLMs into more accessible AI solutions for science, and (II) investigate the challenges and opportunities of developing affordable solutions for scientific domains using LLMs.

Tabular data, a fundamental data format in machine learning, is predominantly utilized in competitions and real-world applications. The performance of tabular models--such as gradient boosted decision trees and neural networks--can vary significantly across datasets due to differences in feature distributions and task characteristics. Achieving top performance on each dataset often requires specialized expert knowledge. To address this variability, practitioners often aggregate the predictions of multiple models. However, conventional aggregation strategies typically rely on static combination rules and lack instance-level adaptability. In this work, we propose an in-context ensemble framework for tabular prediction that leverages large language models (LLMs) to perform dynamic, instance-specific integration of external model predictions. Without access to raw tabular features or semantic information, our method constructs a context around each test instance using its nearest neighbors and the predictions from a pool of external models. Within this enriched context, we introduce Chain of Tabular Thoughts (CoT^2), a prompting strategy that guides LLMs through multi-step, interpretable reasoning, making still further progress toward expert-level decision-making. Experimental results show that our method outperforms well-tuned baselines and standard ensemble techniques across a wide range of tabular datasets.

Superconductivity allows electrical current to flow without any energy loss, and thus making solids superconducting is a grand goal of physics, material science, and electrical engineering. More than 16 Nobel Laureates have been awarded for their contribution to superconductivity research. Superconductors are valuable for sustainable development goals (SDGs), such as climate change mitigation, affordable and clean energy, industry, innovation and infrastructure, and so on. However, a unified physics theory explaining all superconductivity mechanism is still unknown. It is believed that superconductivity is microscopically due to not only molecular compositions but also the geometric crystal structure. Hence a new dataset, S2S, containing both crystal structures and superconducting critical temperature, is built upon SuperCon and Material Project. Based on this new dataset, we propose a novel model, S2SNet, which utilizes the attention mechanism for superconductivity prediction. To overcome the shortage of data, S2SNet is pre-trained on the whole Material Project dataset with Masked-Language Modeling (MLM). S2SNet makes a new state-of-the-art, with out-of-sample accuracy of 92% and Area Under Curve (AUC) of 0.92. To the best of our knowledge, S2SNet is the first work to predict superconductivity with only information of crystal structures. This work is beneficial to superconductivity discovery and further SDGs. Code and datasets are available in https://github.com/zjuKeLiu/S2SNet

Extraction and synthesis of structured knowledge from extensive scientific literature are crucial for advancing and disseminating scientific progress. Although many existing systems facilitate literature review and digest, they struggle to process multimodal, varied, and inconsistent information within and across the literature into structured data. We introduce SciDaSynth, a novel interactive system powered by large language models (LLMs) that enables researchers to efficiently build structured knowledge bases from scientific literature at scale. The system automatically creates data tables to organize and summarize users' interested knowledge in literature via question-answering. Furthermore, it provides multi-level and multi-faceted exploration of the generated data tables, facilitating iterative validation, correction, and refinement. Our within-subjects study with researchers demonstrates the effectiveness and efficiency of SciDaSynth in constructing quality scientific knowledge bases. We further discuss the design implications for human-AI interaction tools for data extraction and structuring.

The advent of artificial intelligence (AI) has enabled a comprehensive exploration of materials for various applications. However, AI models often prioritize frequently encountered materials in the scientific literature, limiting the selection of suitable candidates based on inherent physical and chemical properties. To address this imbalance, we have generated a dataset of 1,494,017 natural language-material paragraphs based on combined OQMD, Materials Project, JARVIS, COD and AFLOW2 databases, which are dominated by ab initio calculations and tend to be much more evenly distributed on the periodic table. The generated text narratives were then polled and scored by both human experts and ChatGPT-4, based on three rubrics: technical accuracy, language and structure, and relevance and depth of content, showing similar scores but with human-scored depth of content being the most lagging. The merger of multi-modality data sources and large language model (LLM) holds immense potential for AI frameworks to help the exploration and discovery of solid-state materials for specific applications.

Environment, Social, and Governance (ESG) KPIs assess an organization's performance on issues such as climate change, greenhouse gas emissions, water consumption, waste management, human rights, diversity, and policies. ESG reports convey this valuable quantitative information through tables. Unfortunately, extracting this information is difficult due to high variability in the table structure as well as content. We propose Statements, a novel domain agnostic data structure for extracting quantitative facts and related information. We propose translating tables to statements as a new supervised deep-learning universal information extraction task. We introduce SemTabNet - a dataset of over 100K annotated tables. Investigating a family of T5-based Statement Extraction Models, our best model generates statements which are 82% similar to the ground-truth (compared to baseline of 21%). We demonstrate the advantages of statements by applying our model to over 2700 tables from ESG reports. The homogeneous nature of statements permits exploratory data analysis on expansive information found in large collections of ESG reports.

To address the problem of scarcity and high annotation costs of rotated image table detection datasets, this paper proposes a method for building a rotated image table detection dataset. Based on the ICDAR2019MTD modern table detection dataset, we refer to the annotation format of the DOTA dataset to create the TRR360D rotated table detection dataset. The training set contains 600 rotated images and 977 annotated instances, and the test set contains 240 rotated images and 499 annotated instances. The AP50(T<90) evaluation metric is defined, and this dataset is available for future researchers to study rotated table detection algorithms and promote the development of table detection technology. The TRR360D rotated table detection dataset was created by constraining the starting point and annotation direction, and is publicly available at https://github.com/vansin/TRR360D.

Multi-modal large language models (MLLMs) have demonstrated promising capabilities across various tasks by integrating textual and visual information to achieve visual understanding in complex scenarios. Despite the availability of several benchmarks aims to evaluating MLLMs in tasks from visual question answering to complex problem-solving, most focus predominantly on mathematics or general visual understanding tasks. This reveals a critical gap in current benchmarks, which often overlook the inclusion of other key scientific disciplines such as physics and chemistry. To address this gap, we meticulously construct a comprehensive benchmark, named VisScience, which is utilized to assess the multi-modal scientific reasoning across the three disciplines of mathematics, physics, and chemistry. This benchmark comprises 3,000 questions drawn from K12 education - spanning elementary school through high school - equally distributed across three disciplines, with 1,000 questions per discipline. The questions within VisScience span 21 distinct subjects and are categorized into five difficulty levels, offering a broad spectrum of topics within each discipline. With VisScience, we present a detailed evaluation of the performance of 25 representative MLLMs in scientific reasoning. Experimental results demonstrate that closed-source MLLMs generally outperform open-source models. The best performance observed include a 53.4\% accuracy in mathematics by Claude3.5-Sonnet, 38.2\% in physics by GPT-4o, and 47.0\% in chemistry by Gemini-1.5-Pro. These results underscore the strengths and limitations of MLLMs, suggesting areas for future improvement and highlighting the importance of developing models that can effectively handle the diverse demands of multi-modal scientific reasoning.

This paper presents a systematic review of benchmarks and approaches for explainability in Machine Reading Comprehension (MRC). We present how the representation and inference challenges evolved and the steps which were taken to tackle these challenges. We also present the evaluation methodologies to assess the performance of explainable systems. In addition, we identify persisting open research questions and highlight critical directions for future work.

Keeping track of all relevant recent publications and experimental results for a research area is a challenging task. Prior work has demonstrated the efficacy of information extraction models in various scientific areas. Recently, several datasets have been released for the yet understudied materials science domain. However, these datasets focus on sub-problems such as parsing synthesis procedures or on sub-domains, e.g., solid oxide fuel cells. In this resource paper, we present MuLMS, a new dataset of 50 open-access articles, spanning seven sub-domains of materials science. The corpus has been annotated by domain experts with several layers ranging from named entities over relations to frame structures. We present competitive neural models for all tasks and demonstrate that multi-task training with existing related resources leads to benefits.

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted descriptions of biomolecules contained within textual data sources to enhance our fundamental understanding and enable downstream computational tasks such as biomolecule property prediction. The fusion of the nuanced narratives expressed through natural language with the structural and functional specifics of biomolecules described via various molecular modeling techniques opens new avenues for comprehensively representing and analyzing biomolecules. By incorporating the contextual language data that surrounds biomolecules into their modeling, BL aims to capture a holistic view encompassing both the symbolic qualities conveyed through language as well as quantitative structural characteristics. In this review, we provide an extensive analysis of recent advancements achieved through cross modeling of biomolecules and natural language. (1) We begin by outlining the technical representations of biomolecules employed, including sequences, 2D graphs, and 3D structures. (2) We then examine in depth the rationale and key objectives underlying effective multi-modal integration of language and molecular data sources. (3) We subsequently survey the practical applications enabled to date in this developing research area. (4) We also compile and summarize the available resources and datasets to facilitate future work. (5) Looking ahead, we identify several promising research directions worthy of further exploration and investment to continue advancing the field. The related resources and contents are updating in https://github.com/QizhiPei/Awesome-Biomolecule-Language-Cross-Modeling.

Tabular datasets are ubiquitous in data science applications. Given their importance, it seems natural to apply state-of-the-art deep learning algorithms in order to fully unlock their potential. Here we propose neural network models that represent tabular time series that can optionally leverage their hierarchical structure. This results in two architectures for tabular time series: one for learning representations that is analogous to BERT and can be pre-trained end-to-end and used in downstream tasks, and one that is akin to GPT and can be used for generation of realistic synthetic tabular sequences. We demonstrate our models on two datasets: a synthetic credit card transaction dataset, where the learned representations are used for fraud detection and synthetic data generation, and on a real pollution dataset, where the learned encodings are used to predict atmospheric pollutant concentrations. Code and data are available at https://github.com/IBM/TabFormer.

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.

Molecular structure elucidation involves deducing a molecule's structure from various types of spectral data, which is crucial in chemical experimental analysis. While large language models (LLMs) have shown remarkable proficiency in analyzing and reasoning through complex tasks, they still encounter substantial challenges in molecular structure elucidation. We identify that these challenges largely stem from LLMs' limited grasp of specialized chemical knowledge. In this work, we introduce a Knowledge-enhanced reasoning framework for Molecular Structure Elucidation (K-MSE), leveraging Monte Carlo Tree Search for test-time scaling as a plugin. Specifically, we construct an external molecular substructure knowledge base to extend the LLMs' coverage of the chemical structure space. Furthermore, we design a specialized molecule-spectrum scorer to act as a reward model for the reasoning process, addressing the issue of inaccurate solution evaluation in LLMs. Experimental results show that our approach significantly boosts performance, particularly gaining more than 20% improvement on both GPT-4o-mini and GPT-4o. Our code is available at https://github.com/HICAI-ZJU/K-MSE.

Recently, the strong text creation ability of Large Language Models(LLMs) has given rise to many tools for assisting paper reading or even writing. However, the weak diagram analysis abilities of LLMs or Multimodal LLMs greatly limit their application scenarios, especially for scientific academic paper writing. In this work, towards a more versatile copilot for academic paper writing, we mainly focus on strengthening the multi-modal diagram analysis ability of Multimodal LLMs. By parsing Latex source files of high-quality papers, we carefully build a multi-modal diagram understanding dataset M-Paper. By aligning diagrams in the paper with related paragraphs, we construct professional diagram analysis samples for training and evaluation. M-Paper is the first dataset to support joint comprehension of multiple scientific diagrams, including figures and tables in the format of images or Latex codes. Besides, to better align the copilot with the user's intention, we introduce the `outline' as the control signal, which could be directly given by the user or revised based on auto-generated ones. Comprehensive experiments with a state-of-the-art Mumtimodal LLM demonstrate that training on our dataset shows stronger scientific diagram understanding performance, including diagram captioning, diagram analysis, and outline recommendation. The dataset, code, and model are available at https://github.com/X-PLUG/mPLUG-DocOwl/tree/main/PaperOwl.

Food Computing is currently a fast-growing field of research. Natural language processing (NLP) is also increasingly essential in this field, especially for recognising food entities. However, there are still only a few well-defined tasks that serve as benchmarks for solutions in this area. We introduce a new dataset -- called TASTEset -- to bridge this gap. In this dataset, Named Entity Recognition (NER) models are expected to find or infer various types of entities helpful in processing recipes, e.g.~food products, quantities and their units, names of cooking processes, physical quality of ingredients, their purpose, taste. The dataset consists of 700 recipes with more than 13,000 entities to extract. We provide a few state-of-the-art baselines of named entity recognition models, which show that our dataset poses a solid challenge to existing models. The best model achieved, on average, 0.95 F_1 score, depending on the entity type -- from 0.781 to 0.982. We share the dataset and the task to encourage progress on more in-depth and complex information extraction from recipes.

Earthquakes are evaluated among the most destructive disasters for human beings, as also experienced for Turkiye region. Data science has the property of discovering hidden patterns in case a sufficient volume of data is supplied. Time dependency of events, specifically being defined by co-occurrence in a specific time window, may be handled as an associate rule mining task such as a market-basket analysis application. In this regard, we assumed each day's seismic activity as a single basket of events, leading to discovering the association patterns between these events. Consequently, this study presents the most prominent association rules for the earthquakes recorded in Turkiye region in the last 5 years, each year presented separately. Results indicate statistical inference with events recorded from regions of various distances, which could be further verified with geologic evidence from the field. As a result, we believe that the current study may form a statistical basis for the future works with the aid of machine learning algorithm performed for associate rule mining.

Automatic table detection in PDF documents has achieved a great success but tabular data extraction are still challenging due to the integrity and noise issues in detected table areas. The accurate data extraction is extremely crucial in finance area. Inspired by this, the aim of this research is proposing an automated table detection and tabular data extraction from financial PDF documents. We proposed a method that consists of three main processes, which are detecting table areas with a Faster R-CNN (Region-based Convolutional Neural Network) model with Feature Pyramid Network (FPN) on each page image, extracting contents and structures by a compounded layout segmentation technique based on optical character recognition (OCR) and formulating regular expression rules for table header separation. The tabular data extraction feature is embedded with rule-based filtering and restructuring functions that are highly scalable. We annotate a new Financial Documents dataset with table regions for the experiment. The excellent table detection performance of the detection model is obtained from our customized dataset. The main contributions of this paper are proposing the Financial Documents dataset with table-area annotations, the superior detection model and the rule-based layout segmentation technique for the tabular data extraction from PDF files.

"Theory figures" are a staple of theoretical visualization research. Common shapes such as Cartesian planes and flowcharts can be used not only to explain conceptual contributions, but to think through and refine the contribution itself. Yet, theory figures tend to be limited to a set of standard shapes, limiting the creative and expressive potential of visualization theory. In this work, we explore how the shapes used in theory figures afford different understandings and explanations of their underlying phenomena. We speculate on the value of visualizing theories using more expressive configurations, such as icebergs, horseshoes, M\"obius strips, and BLT sandwiches. By reflecting on figure-making's generative role in the practice of theorizing, we conclude that theory is, in fact, shapes.

Data visualizations are powerful tools for communicating patterns in quantitative data. Yet understanding any data visualization is no small feat -- succeeding requires jointly making sense of visual, numerical, and linguistic inputs arranged in a conventionalized format one has previously learned to parse. Recently developed vision-language models are, in principle, promising candidates for developing computational models of these cognitive operations. However, it is currently unclear to what degree these models emulate human behavior on tasks that involve reasoning about data visualizations. This gap reflects limitations in prior work that has evaluated data visualization understanding in artificial systems using measures that differ from those typically used to assess these abilities in humans. Here we evaluated eight vision-language models on six data visualization literacy assessments designed for humans and compared model responses to those of human participants. We found that these models performed worse than human participants on average, and this performance gap persisted even when using relatively lenient criteria to assess model performance. Moreover, while relative performance across items was somewhat correlated between models and humans, all models produced patterns of errors that were reliably distinct from those produced by human participants. Taken together, these findings suggest significant opportunities for further development of artificial systems that might serve as useful models of how humans reason about data visualizations. All code and data needed to reproduce these results are available at: https://osf.io/e25mu/?view_only=399daff5a14d4b16b09473cf19043f18.

We present SciRIFF (Scientific Resource for Instruction-Following and Finetuning), a dataset of 137K instruction-following demonstrations for 54 tasks covering five essential scientific literature understanding capabilities: information extraction, summarization, question answering, claim verification, and classification. SciRIFF demonstrations are notable for their long input contexts, detailed task specifications, and complex structured outputs. While instruction-following resources are available in specific domains such as clinical medicine and chemistry, SciRIFF is the first dataset focused on extracting and synthesizing information from research literature across a wide range of scientific fields. To demonstrate the utility of SciRIFF, we develop a sample-efficient strategy to adapt a general instruction-following model for science by performing additional finetuning on a mix of general-domain and SciRIFF demonstrations. In evaluations on nine held-out scientific tasks, our model -- called SciTulu -- improves over a strong LLM baseline by 28.1% and 6.5% at the 7B and 70B scales respectively, while maintaining general instruction-following performance within 2% of the baseline. We are optimistic that SciRIFF will facilitate the development and evaluation of LLMs to help researchers navigate the ever-growing body of scientific literature. We release our dataset, model checkpoints, and data processing and evaluation code to enable further research.

Information extraction and textual comprehension from materials literature are vital for developing an exhaustive knowledge base that enables accelerated materials discovery. Language models have demonstrated their capability to answer domain-specific questions and retrieve information from knowledge bases. However, there are no benchmark datasets in the materials domain that can evaluate the understanding of the key concepts by these language models. In this work, we curate a dataset of 650 challenging questions from the materials domain that require the knowledge and skills of a materials student who has cleared their undergraduate degree. We classify these questions based on their structure and the materials science domain-based subcategories. Further, we evaluate the performance of GPT-3.5 and GPT-4 models on solving these questions via zero-shot and chain of thought prompting. It is observed that GPT-4 gives the best performance (~62% accuracy) as compared to GPT-3.5. Interestingly, in contrast to the general observation, no significant improvement in accuracy is observed with the chain of thought prompting. To evaluate the limitations, we performed an error analysis, which revealed conceptual errors (~64%) as the major contributor compared to computational errors (~36%) towards the reduced performance of LLMs. We hope that the dataset and analysis performed in this work will promote further research in developing better materials science domain-specific LLMs and strategies for information extraction.

Extracting key information from scientific papers has the potential to help researchers work more efficiently and accelerate the pace of scientific progress. Over the last few years, research on Scientific Information Extraction (SciIE) witnessed the release of several new systems and benchmarks. However, existing paper-focused datasets mostly focus only on specific parts of a manuscript (e.g., abstracts) and are single-modality (i.e., text- or table-only), due to complex processing and expensive annotations. Moreover, core information can be present in either text or tables or across both. To close this gap in data availability and enable cross-modality IE, while alleviating labeling costs, we propose a semi-supervised pipeline for annotating entities in text, as well as entities and relations in tables, in an iterative procedure. Based on this pipeline, we release novel resources for the scientific community, including a high-quality benchmark, a large-scale corpus, and a semi-supervised annotation pipeline. We further report the performance of state-of-the-art IE models on the proposed benchmark dataset, as a baseline. Lastly, we explore the potential capability of large language models such as ChatGPT for the current task. Our new dataset, results, and analysis validate the effectiveness and efficiency of our semi-supervised pipeline, and we discuss its remaining limitations.

We describe the SemEval task of extracting keyphrases and relations between them from scientific documents, which is crucial for understanding which publications describe which processes, tasks and materials. Although this was a new task, we had a total of 26 submissions across 3 evaluation scenarios. We expect the task and the findings reported in this paper to be relevant for researchers working on understanding scientific content, as well as the broader knowledge base population and information extraction communities.

Relational tables on the Web store a vast amount of knowledge. Owing to the wealth of such tables, there has been tremendous progress on a variety of tasks in the area of table understanding. However, existing work generally relies on heavily-engineered task-specific features and model architectures. In this paper, we present TURL, a novel framework that introduces the pre-training/fine-tuning paradigm to relational Web tables. During pre-training, our framework learns deep contextualized representations on relational tables in an unsupervised manner. Its universal model design with pre-trained representations can be applied to a wide range of tasks with minimal task-specific fine-tuning. Specifically, we propose a structure-aware Transformer encoder to model the row-column structure of relational tables, and present a new Masked Entity Recovery (MER) objective for pre-training to capture the semantics and knowledge in large-scale unlabeled data. We systematically evaluate TURL with a benchmark consisting of 6 different tasks for table understanding (e.g., relation extraction, cell filling). We show that TURL generalizes well to all tasks and substantially outperforms existing methods in almost all instances.

We present a large-scale dataset, ReCoRD, for machine reading comprehension requiring commonsense reasoning. Experiments on this dataset demonstrate that the performance of state-of-the-art MRC systems fall far behind human performance. ReCoRD represents a challenge for future research to bridge the gap between human and machine commonsense reading comprehension. ReCoRD is available at http://nlp.jhu.edu/record.

This paper introduces MISS-QA, the first benchmark specifically designed to evaluate the ability of models to interpret schematic diagrams within scientific literature. MISS-QA comprises 1,500 expert-annotated examples over 465 scientific papers. In this benchmark, models are tasked with interpreting schematic diagrams that illustrate research overviews and answering corresponding information-seeking questions based on the broader context of the paper. We assess the performance of 18 frontier multimodal foundation models, including o4-mini, Gemini-2.5-Flash, and Qwen2.5-VL. We reveal a significant performance gap between these models and human experts on MISS-QA. Our analysis of model performance on unanswerable questions and our detailed error analysis further highlight the strengths and limitations of current models, offering key insights to enhance models in comprehending multimodal scientific literature.

Language models pretrained on large collections of tabular data have demonstrated their effectiveness in several downstream tasks. However, many of these models do not take into account the row/column permutation invariances, hierarchical structure, etc. that exist in tabular data. To alleviate these limitations, we propose HYTREL, a tabular language model, that captures the permutation invariances and three more structural properties of tabular data by using hypergraphs - where the table cells make up the nodes and the cells occurring jointly together in each row, column, and the entire table are used to form three different types of hyperedges. We show that HYTREL is maximally invariant under certain conditions for tabular data, i.e., two tables obtain the same representations via HYTREL iff the two tables are identical up to permutations. Our empirical results demonstrate that HYTREL consistently outperforms other competitive baselines on four downstream tasks with minimal pretraining, illustrating the advantages of incorporating the inductive biases associated with tabular data into the representations. Finally, our qualitative analyses showcase that HYTREL can assimilate the table structures to generate robust representations for the cells, rows, columns, and the entire table.

Interior models of gas giants in the Solar System traditionally assume a fully convective molecular hydrogen envelope. However, recent observations from the Juno mission suggest a possible depletion of alkali metals in Jupiter's molecular hydrogen envelope, indicating that a stable radiative layer could exist at the kilobar level. Recent studies propose that deep stable layers help reconcile various Jupiter observations, including its atmospheric water and CO abundances and the depth of its zonal winds. However, opacity tables used to infer stable layers are often outdated and incomplete, leaving the precise molecular hydrogen envelope composition required for a deep radiative zone uncertain. In this paper, we determine atmospheric compositions that can lead to the formation of a radiative zone at the kilobar level in Jupiter and Saturn today. We computed radiative opacity tables covering pressures up to 10^5 bar, including the most abundant molecules present in the gas giants of the Solar System, as well as contributions from free electrons, metal hydrides, oxides, and atomic species, using the most up-to-date line lists published in the literature. These tables were used to calculate Rosseland-mean opacities for the molecular hydrogen envelopes of Jupiter and Saturn, which were then compared to the critical mean opacity required to maintain convection. We find that the presence of a radiative zone is controlled by the existence of K, Na, and NaH in the atmosphere of Jupiter and Saturn. For Jupiter, the elemental abundance of K and Na must be less than sim 10^{-3} times solar to form a radiative zone. In contrast, for Saturn, the required abundance for K and Na is below sim 10^{-4} times solar.

With the widespread use of the internet, it has become increasingly crucial to extract specific information from vast amounts of academic articles efficiently. Data mining techniques are generally employed to solve this issue. However, data mining for academic articles is challenging since it requires automatically extracting specific patterns in complex and unstructured layout documents. Current data mining methods for academic articles employ rule-based(RB) or machine learning(ML) approaches. However, using rule-based methods incurs a high coding cost for complex typesetting articles. On the other hand, simply using machine learning methods requires annotation work for complex content types within the paper, which can be costly. Furthermore, only using machine learning can lead to cases where patterns easily recognized by rule-based methods are mistakenly extracted. To overcome these issues, from the perspective of analyzing the standard layout and typesetting used in the specified publication, we emphasize implementing specific methods for specific characteristics in academic articles. We have developed a novel Text Block Refinement Framework (TBRF), a machine learning and rule-based scheme hybrid. We used the well-known ACL proceeding articles as experimental data for the validation experiment. The experiment shows that our approach achieved over 95% classification accuracy and 90% detection accuracy for tables and figures.

In order to make accurate predictions of material properties, current machine-learning approaches generally require large amounts of data, which are often not available in practice. In this work, an all-round framework is presented which relies on a feedforward neural network, the selection of physically-meaningful features and, when applicable, joint-learning. Next to being faster in terms of training time, this approach is shown to outperform current graph-network models on small datasets. In particular, the vibrational entropy at 305 K of crystals is predicted with a mean absolute test error of 0.009 meV/K/atom (four times lower than previous studies). Furthermore, joint-learning reduces the test error compared to single-target learning and enables the prediction of multiple properties at once, such as temperature functions. Finally, the selection algorithm highlights the most important features and thus helps understanding the underlying physics.

We investigated the evolution and transformation of scientific knowledge in the early modern period, analyzing more than 350 different editions of textbooks used for teaching astronomy in European universities from the late fifteenth century to mid-seventeenth century. These historical sources constitute the Sphaera Corpus. By examining different semantic relations among individual parts of each edition on record, we built a multiplex network consisting of six layers, as well as the aggregated network built from the superposition of all the layers. The network analysis reveals the emergence of five different communities. The contribution of each layer in shaping the communities and the properties of each community are studied. The most influential books in the corpus are found by calculating the average age of all the out-going and in-coming links for each book. A small group of editions is identified as a transmitter of knowledge as they bridge past knowledge to the future through a long temporal interval. Our analysis, moreover, identifies the most disruptive books. These books introduce new knowledge that is then adopted by almost all the books published afterwards until the end of the whole period of study. The historical research on the content of the identified books, as an empirical test, finally corroborates the results of all our analyses.

Understanding narratives requires reading between the lines, which in turn, requires interpreting the likely causes and effects of events, even when they are not mentioned explicitly. In this paper, we introduce Cosmos QA, a large-scale dataset of 35,600 problems that require commonsense-based reading comprehension, formulated as multiple-choice questions. In stark contrast to most existing reading comprehension datasets where the questions focus on factual and literal understanding of the context paragraph, our dataset focuses on reading between the lines over a diverse collection of people's everyday narratives, asking such questions as "what might be the possible reason of ...?", or "what would have happened if ..." that require reasoning beyond the exact text spans in the context. To establish baseline performances on Cosmos QA, we experiment with several state-of-the-art neural architectures for reading comprehension, and also propose a new architecture that improves over the competitive baselines. Experimental results demonstrate a significant gap between machine (68.4%) and human performance (94%), pointing to avenues for future research on commonsense machine comprehension. Dataset, code and leaderboard is publicly available at https://wilburone.github.io/cosmos.

We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science. As of June 20th 2019, the dataset comprises of 12 quantum mechanical properties of 119,487 organic molecules with up to 14 heavy atoms, sampled from the GDB MedChem database. The Alchemy dataset expands the volume and diversity of existing molecular datasets. Our extensive benchmarks of the state-of-the-art graph neural network models on Alchemy clearly manifest the usefulness of new data in validating and developing machine learning models for chemistry and material science. We further launch a contest to attract attentions from researchers in the related fields. More details can be found on the contest website https://alchemy.tencent.com. At the time of benchamrking experiment, we have generated 119,487 molecules in our Alchemy dataset. More molecular samples are generated since then. Hence, we provide a list of molecules used in the reported benchmarks.

In spite of showing unreasonable effectiveness in modalities like Text and Image, Deep Learning has always lagged Gradient Boosting in tabular data - both in popularity and performance. But recently there have been newer models created specifically for tabular data, which is pushing the performance bar. But popularity is still a challenge because there is no easy, ready-to-use library like Sci-Kit Learn for deep learning. PyTorch Tabular is a new deep learning library which makes working with Deep Learning and tabular data easy and fast. It is a library built on top of PyTorch and PyTorch Lightning and works on pandas dataframes directly. Many SOTA models like NODE and TabNet are already integrated and implemented in the library with a unified API. PyTorch Tabular is designed to be easily extensible for researchers, simple for practitioners, and robust in industrial deployments.

Integrating structured knowledge from tabular formats poses significant challenges within natural language processing (NLP), mainly when dealing with complex, semi-structured tables like those found in the FeTaQA dataset. These tables require advanced methods to interpret and generate meaningful responses accurately. Traditional approaches, such as SQL and SPARQL, often fail to fully capture the semantics of such data, especially in the presence of irregular table structures like web tables. This paper addresses these challenges by proposing a novel approach that extracts triples straightforward from tabular data and integrates it with a retrieval-augmented generation (RAG) model to enhance the accuracy, coherence, and contextual richness of responses generated by a fine-tuned GPT-3.5-turbo-0125 model. Our approach significantly outperforms existing baselines on the FeTaQA dataset, particularly excelling in Sacre-BLEU and ROUGE metrics. It effectively generates contextually accurate and detailed long-form answers from tables, showcasing its strength in complex data interpretation.

Tabular data is one of the most commonly used types of data in machine learning. Despite recent advances in neural nets (NNs) for tabular data, there is still an active discussion on whether or not NNs generally outperform gradient-boosted decision trees (GBDTs) on tabular data, with several recent works arguing either that GBDTs consistently outperform NNs on tabular data, or vice versa. In this work, we take a step back and question the importance of this debate. To this end, we conduct the largest tabular data analysis to date, comparing 19 algorithms across 176 datasets, and we find that the 'NN vs. GBDT' debate is overemphasized: for a surprisingly high number of datasets, either the performance difference between GBDTs and NNs is negligible, or light hyperparameter tuning on a GBDT is more important than choosing between NNs and GBDTs. A remarkable exception is the recently-proposed prior-data fitted network, TabPFN: although it is effectively limited to training sets of size 3000, we find that it outperforms all other algorithms on average, even when randomly sampling 3000 training datapoints. Next, we analyze dozens of metafeatures to determine what properties of a dataset make NNs or GBDTs better-suited to perform well. For example, we find that GBDTs are much better than NNs at handling skewed or heavy-tailed feature distributions and other forms of dataset irregularities. Our insights act as a guide for practitioners to determine which techniques may work best on their dataset. Finally, with the goal of accelerating tabular data research, we release the TabZilla Benchmark Suite: a collection of the 36 'hardest' of the datasets we study. Our benchmark suite, codebase, and all raw results are available at https://github.com/naszilla/tabzilla.

Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. This is relevant for the chemical sciences, which face the problem of small and diverse datasets that are frequently in the form of text. LLMs have shown promise in addressing these issues and are increasingly being harnessed to predict chemical properties, optimize reactions, and even design and conduct experiments autonomously. However, we still have only a very limited systematic understanding of the chemical reasoning capabilities of LLMs, which would be required to improve models and mitigate potential harms. Here, we introduce "ChemBench," an automated framework designed to rigorously evaluate the chemical knowledge and reasoning abilities of state-of-the-art LLMs against the expertise of human chemists. We curated more than 7,000 question-answer pairs for a wide array of subfields of the chemical sciences, evaluated leading open and closed-source LLMs, and found that the best models outperformed the best human chemists in our study on average. The models, however, struggle with some chemical reasoning tasks that are easy for human experts and provide overconfident, misleading predictions, such as about chemicals' safety profiles. These findings underscore the dual reality that, although LLMs demonstrate remarkable proficiency in chemical tasks, further research is critical to enhancing their safety and utility in chemical sciences. Our findings also indicate a need for adaptations to chemistry curricula and highlight the importance of continuing to develop evaluation frameworks to improve safe and useful LLMs.

Large Language Models (LLMs) have demonstrated remarkable abilities in scientific reasoning, yet their reasoning capabilities in materials science remain underexplored. To fill this gap, we introduce MatSciBench, a comprehensive college-level benchmark comprising 1,340 problems that span the essential subdisciplines of materials science. MatSciBench features a structured and fine-grained taxonomy that categorizes materials science questions into 6 primary fields and 31 sub-fields, and includes a three-tier difficulty classification based on the reasoning length required to solve each question. MatSciBench provides detailed reference solutions enabling precise error analysis and incorporates multimodal reasoning through visual contexts in numerous questions. Evaluations of leading models reveal that even the highest-performing model, Gemini-2.5-Pro, achieves under 80% accuracy on college-level materials science questions, highlighting the complexity of MatSciBench. Our systematic analysis of different reasoning strategie--basic chain-of-thought, tool augmentation, and self-correction--demonstrates that no single method consistently excels across all scenarios. We further analyze performance by difficulty level, examine trade-offs between efficiency and accuracy, highlight the challenges inherent in multimodal reasoning tasks, analyze failure modes across LLMs and reasoning methods, and evaluate the influence of retrieval-augmented generation. MatSciBench thus establishes a comprehensive and solid benchmark for assessing and driving improvements in the scientific reasoning capabilities of LLMs within the materials science domain.

Visual language such as charts and plots is ubiquitous in the human world. Comprehending plots and charts requires strong reasoning skills. Prior state-of-the-art (SOTA) models require at least tens of thousands of training examples and their reasoning capabilities are still much limited, especially on complex human-written queries. This paper presents the first one-shot solution to visual language reasoning. We decompose the challenge of visual language reasoning into two steps: (1) plot-to-text translation, and (2) reasoning over the translated text. The key in this method is a modality conversion module, named as DePlot, which translates the image of a plot or chart to a linearized table. The output of DePlot can then be directly used to prompt a pretrained large language model (LLM), exploiting the few-shot reasoning capabilities of LLMs. To obtain DePlot, we standardize the plot-to-table task by establishing unified task formats and metrics, and train DePlot end-to-end on this task. DePlot can then be used off-the-shelf together with LLMs in a plug-and-play fashion. Compared with a SOTA model finetuned on more than >28k data points, DePlot+LLM with just one-shot prompting achieves a 24.0% improvement over finetuned SOTA on human-written queries from the task of chart QA.

The analysis of tabular data has traditionally been dominated by gradient-boosted decision trees (GBDTs), known for their proficiency with mixed categorical and numerical features. However, recent deep learning innovations are challenging this dominance. We introduce Mambular, an adaptation of the Mamba architecture optimized for tabular data. We extensively benchmark Mambular against state-of-the-art models, including neural networks and tree-based methods, and demonstrate its competitive performance across diverse datasets. Additionally, we explore various adaptations of Mambular to understand its effectiveness for tabular data. We investigate different pooling strategies, feature interaction mechanisms, and bi-directional processing. Our analysis shows that interpreting features as a sequence and passing them through Mamba layers results in surprisingly performant models. The results highlight Mambulars potential as a versatile and powerful architecture for tabular data analysis, expanding the scope of deep learning applications in this domain. The source code is available at https://github.com/basf/mamba-tabular.

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research.

We introduce TabRepo, a new dataset of tabular model evaluations and predictions. TabRepo contains the predictions and metrics of 1310 models evaluated on 200 classification and regression datasets. We illustrate the benefit of our dataset in multiple ways. First, we show that it allows to perform analysis such as comparing Hyperparameter Optimization against current AutoML systems while also considering ensembling at marginal cost by using precomputed model predictions. Second, we show that our dataset can be readily leveraged to perform transfer-learning. In particular, we show that applying standard transfer-learning techniques allows to outperform current state-of-the-art tabular systems in accuracy, runtime and latency.

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have been developed previously to mitigate these issues. However, a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with both perfect and defect materials data is still lacking. This work introduces JARVIS-Leaderboard, an open-source and community-driven platform that facilitates benchmarking and enhances reproducibility. The platform allows users to set up benchmarks with custom tasks and enables contributions in the form of dataset, code, and meta-data submissions. We cover the following materials design categories: Artificial Intelligence (AI), Electronic Structure (ES), Force-fields (FF), Quantum Computation (QC) and Experiments (EXP). For AI, we cover several types of input data, including atomic structures, atomistic images, spectra, and text. For ES, we consider multiple ES approaches, software packages, pseudopotentials, materials, and properties, comparing results to experiment. For FF, we compare multiple approaches for material property predictions. For QC, we benchmark Hamiltonian simulations using various quantum algorithms and circuits. Finally, for experiments, we use the inter-laboratory approach to establish benchmarks. There are 1281 contributions to 274 benchmarks using 152 methods with more than 8 million data-points, and the leaderboard is continuously expanding. The JARVIS-Leaderboard is available at the website: https://pages.nist.gov/jarvis_leaderboard

Artificial intelligence is gradually demonstrating its immense potential, and increasing attention is being given to how AI can be harnessed to advance scientific research. In this vision paper, we present our perspectives on how AI can better assist scientific inquiry and explore corresponding technical approach. We have proposed and open-sourced a large model of our KALE-LM model series, Llama3-KALE-LM-Chem-8B, which has achieved outstanding performance in tasks related to the field of chemistry. We hope that our work serves as a strong starting point, helping to realize more intelligent AI and promoting the advancement of human science and technology, as well as societal development.

LLMs have demonstrated impressive performance in answering medical questions, such as passing scores on medical licensing examinations. However, medical board exam questions or general clinical questions do not capture the complexity of realistic clinical cases. Moreover, the lack of reference explanations means we cannot easily evaluate the reasoning of model decisions, a crucial component of supporting doctors in making complex medical decisions. To address these challenges, we construct two new datasets: JAMA Clinical Challenge and Medbullets. JAMA Clinical Challenge consists of questions based on challenging clinical cases, while Medbullets comprises USMLE Step 2&3 style clinical questions. Both datasets are structured as multiple-choice question-answering tasks, where each question is accompanied by an expert-written explanation. We evaluate four LLMs on the two datasets using various prompts. Experiments demonstrate that our datasets are harder than previous benchmarks. The inconsistency between automatic and human evaluations of model-generated explanations highlights the need to develop new metrics to support future research on explainable medical QA.

In recent decades, chemistry publications and patents have increased rapidly. A significant portion of key information is embedded in molecular structure figures, complicating large-scale literature searches and limiting the application of large language models in fields such as biology, chemistry, and pharmaceuticals. The automatic extraction of precise chemical structures is of critical importance. However, the presence of numerous Markush structures in real-world documents, along with variations in molecular image quality, drawing styles, and noise, significantly limits the performance of existing optical chemical structure recognition (OCSR) methods. We present MolParser, a novel end-to-end OCSR method that efficiently and accurately recognizes chemical structures from real-world documents, including difficult Markush structure. We use a extended SMILES encoding rule to annotate our training dataset. Under this rule, we build MolParser-7M, the largest annotated molecular image dataset to our knowledge. While utilizing a large amount of synthetic data, we employed active learning methods to incorporate substantial in-the-wild data, specifically samples cropped from real patents and scientific literature, into the training process. We trained an end-to-end molecular image captioning model, MolParser, using a curriculum learning approach. MolParser significantly outperforms classical and learning-based methods across most scenarios, with potential for broader downstream applications. The dataset is publicly available.

Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

The problem of verifying whether a textual hypothesis holds based on the given evidence, also known as fact verification, plays an important role in the study of natural language understanding and semantic representation. However, existing studies are mainly restricted to dealing with unstructured evidence (e.g., natural language sentences and documents, news, etc), while verification under structured evidence, such as tables, graphs, and databases, remains under-explored. This paper specifically aims to study the fact verification given semi-structured data as evidence. To this end, we construct a large-scale dataset called TabFact with 16k Wikipedia tables as the evidence for 118k human-annotated natural language statements, which are labeled as either ENTAILED or REFUTED. TabFact is challenging since it involves both soft linguistic reasoning and hard symbolic reasoning. To address these reasoning challenges, we design two different models: Table-BERT and Latent Program Algorithm (LPA). Table-BERT leverages the state-of-the-art pre-trained language model to encode the linearized tables and statements into continuous vectors for verification. LPA parses statements into programs and executes them against the tables to obtain the returned binary value for verification. Both methods achieve similar accuracy but still lag far behind human performance. We also perform a comprehensive analysis to demonstrate great future opportunities. The data and code of the dataset are provided in https://github.com/wenhuchen/Table-Fact-Checking.

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.

We present an open-source database of superconducting quantum device designs that may be used as the starting point for customized devices. Each design can be generated programmatically using the open-source Qiskit Metal package, and simulated using finite-element electromagnetic solvers. We present a robust workflow for achieving high accuracy on design simulations. Many designs in the database are experimentally validated, showing excellent agreement between simulated and measured parameters. Our database includes a front-end interface that allows users to generate ``best-guess'' designs based on desired circuit parameters. This project lowers the barrier to entry for research groups seeking to make a new class of devices by providing them a well-characterized starting point from which to refine their designs.

Algorithmic approaches to interpreting machine learning models have proliferated in recent years. We carry out human subject tests that are the first of their kind to isolate the effect of algorithmic explanations on a key aspect of model interpretability, simulatability, while avoiding important confounding experimental factors. A model is simulatable when a person can predict its behavior on new inputs. Through two kinds of simulation tests involving text and tabular data, we evaluate five explanations methods: (1) LIME, (2) Anchor, (3) Decision Boundary, (4) a Prototype model, and (5) a Composite approach that combines explanations from each method. Clear evidence of method effectiveness is found in very few cases: LIME improves simulatability in tabular classification, and our Prototype method is effective in counterfactual simulation tests. We also collect subjective ratings of explanations, but we do not find that ratings are predictive of how helpful explanations are. Our results provide the first reliable and comprehensive estimates of how explanations influence simulatability across a variety of explanation methods and data domains. We show that (1) we need to be careful about the metrics we use to evaluate explanation methods, and (2) there is significant room for improvement in current methods. All our supporting code, data, and models are publicly available at: https://github.com/peterbhase/InterpretableNLP-ACL2020

Recent research in tabular data synthesis has focused on single tables, whereas real-world applications often involve complex data with tens or hundreds of interconnected tables. Previous approaches to synthesizing multi-relational (multi-table) data fall short in two key aspects: scalability for larger datasets and capturing long-range dependencies, such as correlations between attributes spread across different tables. Inspired by the success of diffusion models in tabular data modeling, we introduce Cluster Latent Variable guided Denoising Diffusion Probabilistic Models (ClavaDDPM). This novel approach leverages clustering labels as intermediaries to model relationships between tables, specifically focusing on foreign key constraints. ClavaDDPM leverages the robust generation capabilities of diffusion models while incorporating efficient algorithms to propagate the learned latent variables across tables. This enables ClavaDDPM to capture long-range dependencies effectively. Extensive evaluations on multi-table datasets of varying sizes show that ClavaDDPM significantly outperforms existing methods for these long-range dependencies while remaining competitive on utility metrics for single-table data.

In this work, product tables in invoices are obtained autonomously via a deep learning model, which is named as ExTTNet. Firstly, text is obtained from invoice images using Optical Character Recognition (OCR) techniques. Tesseract OCR engine [37] is used for this process. Afterwards, the number of existing features is increased by using feature extraction methods to increase the accuracy. Labeling process is done according to whether each text obtained as a result of OCR is a table element or not. In this study, a multilayer artificial neural network model is used. The training has been carried out with an Nvidia RTX 3090 graphics card and taken 162 minutes. As a result of the training, the F1 score is 0.92.

We present FOLD-SE, an efficient, explainable machine learning algorithm for classification tasks given tabular data containing numerical and categorical values. FOLD-SE generates a set of default rules-essentially a stratified normal logic program-as an (explainable) trained model. Explainability provided by FOLD-SE is scalable, meaning that regardless of the size of the dataset, the number of learned rules and learned literals stay quite small while good accuracy in classification is maintained. A model with smaller number of rules and literals is easier to understand for human beings. FOLD-SE is competitive with state-of-the-art machine learning algorithms such as XGBoost and Multi-Layer Perceptrons (MLP) wrt accuracy of prediction. However, unlike XGBoost and MLP, the FOLD-SE algorithm is explainable. The FOLD-SE algorithm builds upon our earlier work on developing the explainable FOLD-R++ machine learning algorithm for binary classification and inherits all of its positive features. Thus, pre-processing of the dataset, using techniques such as one-hot encoding, is not needed. Like FOLD-R++, FOLD-SE uses prefix sum to speed up computations resulting in FOLD-SE being an order of magnitude faster than XGBoost and MLP in execution speed. The FOLD-SE algorithm outperforms FOLD-R++ as well as other rule-learning algorithms such as RIPPER in efficiency, performance and scalability, especially for large datasets. A major reason for scalable explainability of FOLD-SE is the use of a literal selection heuristics based on Gini Impurity, as opposed to Information Gain used in FOLD-R++. A multi-category classification version of FOLD-SE is also presented.

Accurately classifying chemical structures is essential for cheminformatics and bioinformatics, including tasks such as identifying bioactive compounds of interest, screening molecules for toxicity to humans, finding non-organic compounds with desirable material properties, or organizing large chemical libraries for drug discovery or environmental monitoring. However, manual classification is labor-intensive and difficult to scale to large chemical databases. Existing automated approaches either rely on manually constructed classification rules, or the use of deep learning methods that lack explainability. This work presents an approach that uses generative artificial intelligence to automatically write chemical classifier programs for classes in the Chemical Entities of Biological Interest (ChEBI) database. These programs can be used for efficient deterministic run-time classification of SMILES structures, with natural language explanations. The programs themselves constitute an explainable computable ontological model of chemical class nomenclature, which we call the ChEBI Chemical Class Program Ontology (C3PO). We validated our approach against the ChEBI database, and compared our results against state of the art deep learning models. We also demonstrate the use of C3PO to classify out-of-distribution examples taken from metabolomics repositories and natural product databases. We also demonstrate the potential use of our approach to find systematic classification errors in existing chemical databases, and show how an ensemble artificial intelligence approach combining generated ontologies, automated literature search, and multimodal vision models can be used to pinpoint potential errors requiring expert validation

Machine Reading Comprehension (MRC) has become one of the essential tasks in Natural Language Understanding (NLU) as it is often included in several NLU benchmarks (Liang et al., 2020; Wilie et al., 2020). However, most MRC datasets only have answerable question type, overlooking the importance of unanswerable questions. MRC models trained only on answerable questions will select the span that is most likely to be the answer, even when the answer does not actually exist in the given passage (Rajpurkar et al., 2018). This problem especially remains in medium- to low-resource languages like Indonesian. Existing Indonesian MRC datasets (Purwarianti et al., 2007; Clark et al., 2020) are still inadequate because of the small size and limited question types, i.e., they only cover answerable questions. To fill this gap, we build a new Indonesian MRC dataset called I(n)don'tKnow- MRC (IDK-MRC) by combining the automatic and manual unanswerable question generation to minimize the cost of manual dataset construction while maintaining the dataset quality. Combined with the existing answerable questions, IDK-MRC consists of more than 10K questions in total. Our analysis shows that our dataset significantly improves the performance of Indonesian MRC models, showing a large improvement for unanswerable questions.

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text. Recently, the rapid development of Large Language Models (LLMs) has revolutionized the field of NLP. Although it is natural to utilize LLMs to assist in understanding molecules represented by SMILES, the exploration of how LLMs will impact molecular property prediction is still in its early stage. In this work, we advance towards this objective through two perspectives: zero/few-shot molecular classification, and using the new explanations generated by LLMs as representations of molecules. To be specific, we first prompt LLMs to do in-context molecular classification and evaluate their performance. After that, we employ LLMs to generate semantically enriched explanations for the original SMILES and then leverage that to fine-tune a small-scale LM model for multiple downstream tasks. The experimental results highlight the superiority of text explanations as molecular representations across multiple benchmark datasets, and confirm the immense potential of LLMs in molecular property prediction tasks. Codes are available at https://github.com/ChnQ/LLM4Mol.

Mechanistic interpretability aims to understand the computational mechanisms underlying neural networks' capabilities in order to accomplish concrete scientific and engineering goals. Progress in this field thus promises to provide greater assurance over AI system behavior and shed light on exciting scientific questions about the nature of intelligence. Despite recent progress toward these goals, there are many open problems in the field that require solutions before many scientific and practical benefits can be realized: Our methods require both conceptual and practical improvements to reveal deeper insights; we must figure out how best to apply our methods in pursuit of specific goals; and the field must grapple with socio-technical challenges that influence and are influenced by our work. This forward-facing review discusses the current frontier of mechanistic interpretability and the open problems that the field may benefit from prioritizing.

It is well-established that large, diverse datasets play a pivotal role in the performance of modern AI systems for text and image modalities. However, there are no datasets for tabular data of comparable size and diversity to those available for text and images. Thus we present "TabLib'', a compilation of 627 million tables totaling 69 TiB, along with 867B tokens of context. TabLib was extracted from numerous file formats, including CSV, HTML, SQLite, PDF, Excel, and others, sourced from GitHub and Common Crawl. The size and diversity of TabLib offer considerable promise in the table modality, reminiscent of the original promise of foundational datasets for text and images, such as The Pile and LAION.