Daily Papers

Automated extraction of materials composition-property data from scientific literature has advanced considerably with the development of large language model-based pipelines; however, existing frameworks remain limited to textual and tabular content, overlooking the substantial proportion of quantitative property data reported exclusively in scientific figures. Here, we extend ComProScanner, a fully end-to-end multi-agent framework for automated composition-property database construction, with a native vision-language model (VLM) based figure extraction capability. The extension introduces a FigureExtractor utility for caption-keyword-based figure filtering across all supported publishers, and a GraphExtractorTool agent that passes extracted figures to a configurable VLM to recover composition-property pairs from scientific charts and plots. Four VLMs are selected for evaluation on the basis of the LMArena Diagram leaderboard with an input cost criterion of less than \1.50 per million tokens. Benchmarking on 50 piezoelectric ceramic articles from the established d_{33}$ test corpus demonstrates that Gemini-3-Flash-Preview achieves the highest performance with a composition accuracy of 0.97 and a normalised F1 score of 0.97, whilst remaining the most cost-effective model among the four evaluated. We additionally introduce a range-based value error threshold parameter into the evaluation framework, providing a more physically meaningful assessment of numeric property values extracted from figures than exact value matching. These contributions establish VLM-integrated ComProScanner as the first materials-specific, fully automated, multimodal literature mining platform capable of extracting structured composition-property data from text, tables, and figures within a single unified pipeline.

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.

Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitative objective. Here, we use composition-based materials-property prediction to test whether such agents can perform a task beyond model selection and hyperparameter optimization: the design of input descriptors. We introduce Automat, an autoresearch framework where a coding agent based on a large language model generates composition-only descriptors for chemical compounds and evaluates them using a random forest workflow. The agent is restricted to information derivable from chemical formulas and iteratively proposes, implements, and tests chemically motivated descriptor strategies. We apply Automat, with OpenAI Codex using GPT-5.5 as the coding agent, to the prediction of experimental band gaps in inorganic materials and Curie temperatures in ferromagnetic compounds. In both tasks, Automat improves over fractional-composition, Magpie, and combined fractional-composition/Magpie baselines, while producing descriptor families that are chemically interpretable. These results provide a demonstration that autoresearch agents can generate competitive, task-specific materials descriptors without manual feature engineering during the run. They also reveal current limitations, including descriptor redundancy, sensitivity to greedy feature expansion, and the need for explicit complexity control, descriptor pruning, and more sophisticated search strategies.

Evaluating text-to-SQL systems remains largely fragile: correctness is typically judged by executing predicted and gold SQL queries on a single static database, even though the same queries may behave differently under alternative database instances. This raises a broader language modeling question: Can large language models synthesize semantically meaningful, schema-consistent relational data directly from a natural language question? If so, such generation can serve as a controlled mechanism for stress-testing text-to-SQL systems beyond fixed benchmark databases. We introduce SynSQL, a framework that synthesizes test databases conditioned on question-schema alignment rather than gold SQL queries. SynSQL decomposes the task into three stages: (1) schema selection, (2) question-guided data synthesis, and (3) constraint-aware critique with iterative refinement, framing database construction as structured generation under semantic and relational constraints. Across ten text-to-SQL models on Spider, BIRD, and Spider 2.0, SynSQL-generated databases reveal performance drops of 3-14% compared to static evaluation, exposing errors masked by benchmark artifacts. We further analyze generation quality, constraint adherence, and failure modes, highlighting both the promise and limitations of LLMs in structured data synthesis. Our findings position synthetic database generation as a new lens for studying LLM reasoning, controllability, and robustness in structured environments.

Despite the stunning ability to generate high-quality images by recent text-to-image models, current approaches often struggle to effectively compose objects with different attributes and relationships into a complex and coherent scene. We propose T2I-CompBench, a comprehensive benchmark for open-world compositional text-to-image generation, consisting of 6,000 compositional text prompts from 3 categories (attribute binding, object relationships, and complex compositions) and 6 sub-categories (color binding, shape binding, texture binding, spatial relationships, non-spatial relationships, and complex compositions). We further propose several evaluation metrics specifically designed to evaluate compositional text-to-image generation. We introduce a new approach, Generative mOdel fine-tuning with Reward-driven Sample selection (GORS), to boost the compositional text-to-image generation abilities of pretrained text-to-image models. Extensive experiments and evaluations are conducted to benchmark previous methods on T2I-CompBench, and to validate the effectiveness of our proposed evaluation metrics and GORS approach. Project page is available at https://karine-h.github.io/T2I-CompBench/.

Content creators often draw inspiration from multiple visual sources, combining distinct elements to craft new compositions. Modern computational approaches now aim to emulate this fundamental creative process. Although recent diffusion models excel at text-guided compositional synthesis, text as a medium often lacks precise control over visual details. Image-based composition approaches can capture more nuanced features, but existing methods are typically limited in the range of concepts they can capture, and require expensive training procedures or specialized data. We present IP-Composer, a novel training-free approach for compositional image generation that leverages multiple image references simultaneously, while using natural language to describe the concept to be extracted from each image. Our method builds on IP-Adapter, which synthesizes novel images conditioned on an input image's CLIP embedding. We extend this approach to multiple visual inputs by crafting composite embeddings, stitched from the projections of multiple input images onto concept-specific CLIP-subspaces identified through text. Through comprehensive evaluation, we show that our approach enables more precise control over a larger range of visual concept compositions.

Multimodal Large Language Models (MLLMs) are increasingly used to carry out visual workflows such as navigating GUIs, where the next step depends on verified visual compositional conditions (e.g., "if a permission dialog appears and the color of the interface is green, click Allow") and the process may branch or terminate early. Yet this capability remains under-evaluated: existing benchmarks focus on shallow-compositions or independent-constraints rather than deeply chained compositional conditionals. In this paper, we introduce MM-CondChain, a benchmark for visually grounded deep compositional reasoning. Each benchmark instance is organized as a multi-layer reasoning chain, where every layer contains a non-trivial compositional condition grounded in visual evidence and built from multiple objects, attributes, or relations. To answer correctly, an MLLM must perceive the image in detail, reason over multiple visual elements at each step, and follow the resulting execution path to the final outcome. To scalably construct such workflow-style data, we propose an agentic synthesis pipeline: a Planner orchestrates layer-by-layer generation of compositional conditions, while a Verifiable Programmatic Intermediate Representation (VPIR) ensures each layer's condition is mechanically verifiable. A Composer then assembles these verified layers into complete instructions. Using this pipeline, we construct benchmarks across three visual domains: natural images, data charts, and GUI trajectories. Experiments on a range of MLLMs show that even the strongest model attains only 53.33 Path F1, with sharp drops on hard negatives and as depth or predicate complexity grows, confirming that deep compositional reasoning remains a fundamental challenge.

Recently, there has been increasing interest in synthesizing data to improve downstream text-to-SQL tasks. In this paper, we first examined the existing synthesized datasets and discovered that state-of-the-art text-to-SQL algorithms did not further improve on popular benchmarks when trained with augmented synthetic data. We observed two shortcomings: illogical synthetic SQL queries from independent column sampling and arbitrary table joins. To address these issues, we propose a novel synthesis framework that incorporates key relationships from schema, imposes strong typing, and conducts schema-distance-weighted column sampling. We also adopt an intermediate representation (IR) for the SQL-to-text task to further improve the quality of the generated natural language questions. When existing powerful semantic parsers are pre-finetuned on our high-quality synthesized data, our experiments show that these models have significant accuracy boosts on popular benchmarks, including new state-of-the-art performance on Spider.

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.

Generating molecules that satisfy precise numeric constraints over multiple physicochemical properties is critical and challenging. Although large language models (LLMs) are expressive, they struggle with precise multi-objective control and numeric reasoning without external structure and feedback. We introduce M olGen, a fragment-level, retrieval-augmented, two-stage framework for molecule generation under multi-property constraints. Stage I : Prototype generation: a multi-agent reasoner performs retrieval-anchored, fragment-level edits to produce a candidate near the feasible region. Stage II : RL-based fine-grained optimization: a fragment-level optimizer trained with Group Relative Policy Optimization (GRPO) applies one- or multi-hop refinements to explicitly minimize the property errors toward our target while regulating edit complexity and deviation from the prototype. A large, automatically curated dataset with reasoning chains of fragment edits and measured property deltas underpins both stages, enabling deterministic, reproducible supervision and controllable multi-hop reasoning. Unlike prior work, our framework better reasons about molecules by leveraging fragments and supports controllable refinement toward numeric targets. Experiments on generation under two sets of property constraints (QED, LogP, Molecular Weight and HOMO, LUMO) show consistent gains in validity and precise satisfaction of multi-property targets, outperforming strong LLMs and graph-based algorithms.

Advanced diffusion models like RPG, Stable Diffusion 3 and FLUX have made notable strides in compositional text-to-image generation. However, these methods typically exhibit distinct strengths for compositional generation, with some excelling in handling attribute binding and others in spatial relationships. This disparity highlights the need for an approach that can leverage the complementary strengths of various models to comprehensively improve the composition capability. To this end, we introduce IterComp, a novel framework that aggregates composition-aware model preferences from multiple models and employs an iterative feedback learning approach to enhance compositional generation. Specifically, we curate a gallery of six powerful open-source diffusion models and evaluate their three key compositional metrics: attribute binding, spatial relationships, and non-spatial relationships. Based on these metrics, we develop a composition-aware model preference dataset comprising numerous image-rank pairs to train composition-aware reward models. Then, we propose an iterative feedback learning method to enhance compositionality in a closed-loop manner, enabling the progressive self-refinement of both the base diffusion model and reward models over multiple iterations. Theoretical proof demonstrates the effectiveness and extensive experiments show our significant superiority over previous SOTA methods (e.g., Omost and FLUX), particularly in multi-category object composition and complex semantic alignment. IterComp opens new research avenues in reward feedback learning for diffusion models and compositional generation. Code: https://github.com/YangLing0818/IterComp

Existing Text-to-SQL generators require the entire schema to be encoded with the user text. This is expensive or impractical for large databases with tens of thousands of columns. Standard dense retrieval techniques are inadequate for schema subsetting of a large structured database, where the correct semantics of retrieval demands that we rank sets of schema elements rather than individual elements. In response, we propose a two-stage process for effective coverage during retrieval. First, we instruct an LLM to hallucinate a minimal DB schema deemed adequate to answer the query. We use the hallucinated schema to retrieve a subset of the actual schema, by composing the results from multiple dense retrievals. Remarkably, hallucination x2013 generally considered a nuisance x2013 turns out to be actually useful as a bridging mechanism. Since no existing benchmarks exist for schema subsetting on large databases, we introduce three benchmarks. Two semi-synthetic datasets are derived from the union of schemas in two well-known datasets, SPIDER and BIRD, resulting in 4502 and 798 schema elements respectively. A real-life benchmark called SocialDB is sourced from an actual large data warehouse comprising 17844 schema elements. We show that our method1 leads to significantly higher recall than SOTA retrieval-based augmentation methods.

In recent times, transformer networks have achieved state-of-the-art performance in a wide range of natural language processing tasks. Here we present a workflow based on the fine-tuning of BERT models for different downstream tasks, which results in the automated extraction of structured information from unstructured natural language in scientific literature. Contrary to existing methods for the automated extraction of structured compound-property relations from similar sources, our workflow does not rely on the definition of intricate grammar rules. Hence, it can be adapted to a new task without requiring extensive implementation efforts and knowledge. We test our data-extraction workflow by automatically generating a database for Curie temperatures and one for band gaps. These are then compared with manually-curated datasets and with those obtained with a state-of-the-art rule-based method. Furthermore, in order to showcase the practical utility of the automatically extracted data in a material-design workflow, we employ them to construct machine-learning models to predict Curie temperatures and band gaps. In general we find that, although more noisy, automatically extracted datasets can grow fast in volume and that such volume partially compensates for the inaccuracy in downstream tasks.

Database systems incorporate an ever-growing number of functions in their kernels (a.k.a., database native functions) for scenarios like new application support and business migration. This growth causes an urgent demand for automatic database native function synthesis. While recent advances in LLM-based code generation (e.g., Claude Code) show promise, they are too generic for database-specific development. They often hallucinate or overlook critical context because database function synthesis is inherently complex and error-prone, where synthesizing a single function may involve registering multiple function units, linking internal references, and implementing logic correctly. To this end, we propose DBCooker, an LLM-based system for automatically synthesizing database native functions. It consists of three components. First, the function characterization module aggregates multi-source declarations, identifies function units that require specialized coding, and traces cross-unit dependencies. Second, we design operations to address the main synthesis challenges: (1) a pseudo-code-based coding plan generator that constructs structured implementation skeletons by identifying key elements such as reusable referenced functions; (2) a hybrid fill-in-the-blank model guided by probabilistic priors and component awareness to integrate core logic with reusable routines; and (3) three-level progressive validation, including syntax checking, standards compliance, and LLM-guided semantic verification. Finally, an adaptive orchestration strategy unifies these operations with existing tools and dynamically sequences them via the orchestration history of similar functions. Results show that DBCooker outperforms other methods on SQLite, PostgreSQL, and DuckDB (34.55% higher accuracy on average), and can synthesize new functions absent in the latest SQLite (v3.50).

Text-to-SQL systems powered by Large Language Models have excelled on academic benchmarks but struggle in complex enterprise environments. The primary limitation lies in their reliance on static schema representations, which fails to resolve semantic ambiguity and scale effectively to large, complex databases. To address this, we propose APEX-SQL, an Agentic Text-to-SQL Framework that shifts the paradigm from passive translation to agentic exploration. Our framework employs a hypothesis-verification loop to ground model reasoning in real data. In the schema linking phase, we use logical planning to verbalize hypotheses, dual-pathway pruning to reduce the search space, and parallel data profiling to validate column roles against real data, followed by global synthesis to ensure topological connectivity. For SQL generation, we introduce a deterministic mechanism to retrieve exploration directives, allowing the agent to effectively explore data distributions, refine hypotheses, and generate semantically accurate SQLs. Experiments on BIRD (70.65% execution accuracy) and Spider 2.0-Snow (51.01% execution accuracy) demonstrate that APEX-SQL outperforms competitive baselines with reduced token consumption. Further analysis reveals that agentic exploration acts as a performance multiplier, unlocking the latent reasoning potential of foundation models in enterprise settings. Ablation studies confirm the critical contributions of each component in ensuring robust and accurate data analysis.

Schema matching -- the task of finding matches between attributes across disparate data sources with different tables and hierarchies -- is critical for creating interoperable machine learning (ML)-ready data. Addressing this fundamental data-centric problem has wide implications, especially in domains like healthcare, finance and e-commerce -- but also has the potential to benefit ML models more generally, by increasing the data available for ML model training. However, schema matching is a challenging ML task due to structural/hierarchical and semantic heterogeneity between different schemas. Previous ML approaches to automate schema matching have either required significant labeled data for model training, which is often unrealistic or suffer from poor zero-shot performance. To this end, we propose Matchmaker - a compositional language model program for schema matching, comprised of candidate generation, refinement and confidence scoring. Matchmaker also self-improves in a zero-shot manner without the need for labeled demonstrations via a novel optimization approach, which constructs synthetic in-context demonstrations to guide the language model's reasoning process. Empirically, we demonstrate on real-world medical schema matching benchmarks that Matchmaker outperforms previous ML-based approaches, highlighting its potential to accelerate data integration and interoperability of ML-ready data.

Generative models have achieved impressive fidelity in text-to-image synthesis, yet struggle with complex compositional prompts involving multiple constraints. We introduce M3 (Multi-Modal, Multi-Agent, Multi-Round), a training-free framework that systematically resolves these failures through iterative inference-time refinement. M3 orchestrates off-the-shelf foundation models in a robust multi-agent loop: a Planner decomposes prompts into verifiable checklists, while specialized Checker, Refiner, and Editor agents surgically correct constraints one at a time, with a Verifier ensuring monotonic improvement. Applied to open-source models, M3 achieves remarkable results on the challenging OneIG-EN benchmark, with our Qwen-Image+M3 surpassing commercial flagship systems including Imagen4 (0.515) and Seedream 3.0 (0.530), reaching state-of-the-art performance (0.532 overall). This demonstrates that intelligent multi-agent reasoning can elevate open-source models beyond proprietary alternatives. M3 also substantially improves GenEval compositional metrics, effectively doubling spatial reasoning performance on hardened test sets. As a plug-and-play module compatible with any pre-trained T2I model, M3 establishes a new paradigm for compositional generation without costly retraining.

In this work, we present web scraping techniques to extract in- formation from patent tables, clean and structure them for future use in predictive machine learning models to develop new glasses. We extracted compositions and three properties relevant to the development of new glasses and structured them into a database to be used together with information from other available datasets. We also analyzed the consistency of the information obtained and what it adds to the existing databases. The extracted liquidus temperatures comprise 5,696 compositions; the second subset includes 4,298 refractive indexes and, finally, 1,771 compositions with Abbe numbers. The extraction performed here increases the available information by approximately 10.4% for liquidus temperature, 6.6% for refractive index, and 4.9% for Abbe number. The impact extends beyond quantity: the newly extracted data introduce compositions with property values that are more diverse than those in existing databases, thereby expanding the accessible compositional and property space for glass modeling applications. We emphasize that the compositions of the new database contain relatively more titanium, magnesium, zirconium, niobium, iron, tin, and yttrium oxides than those of the existing bases.

The synergy between symbolic knowledge, often represented by Knowledge Graphs (KGs), and the generative capabilities of neural networks is central to advancing neurosymbolic AI. A primary bottleneck in realizing this potential is the difficulty of automating KG construction, which faces challenges related to output reliability, consistency, and verifiability. These issues can manifest as structural inconsistencies within the generated graphs, such as the formation of disconnected isolated islands of data or the inaccurate conflation of abstract classes with specific instances. To address these challenges, we propose HyDRA, a Hybrid-Driven Reasoning Architecture designed for verifiable KG automation. Given a domain or an initial set of documents, HyDRA first constructs an ontology via a panel of collaborative neurosymbolic agents. These agents collaboratively agree on a set of competency questions (CQs) that define the scope and requirements the ontology must be able to answer. Given these CQs, we build an ontology graph that subsequently guides the automated extraction of triplets for KG generation from arbitrary documents. Inspired by design-by-contracts (DbC) principles, our method leverages verifiable contracts as the primary control mechanism to steer the generative process of Large Language Models (LLMs). To verify the output of our approach, we extend beyond standard benchmarks and propose an evaluation framework that assesses the functional correctness of the resulting KG by leveraging symbolic verifications as described by the neurosymbolic AI framework, SymbolicAI. This work contributes a hybrid-driven architecture for improving the reliability of automated KG construction and the exploration of evaluation methods for measuring the functional integrity of its output. The code is publicly available.

Interactive theorem provers (ITPs) require manual formalization, which is labor-intensive and demands expert knowledge. While automated formalization offers a potential solution, it faces two major challenges: model hallucination (e.g., undefined predicates, symbol misuse, and version incompatibility) and the semantic gap caused by ambiguous or missing premises in natural language descriptions. To address these issues, we propose CRAMF, a Concept-driven Retrieval-Augmented Mathematical Formalization framework. CRAMF enhances LLM-based autoformalization by retrieving formal definitions of core mathematical concepts, providing contextual grounding during code generation. However, applying retrieval-augmented generation (RAG) in this setting is non-trivial due to the lack of structured knowledge bases, the polymorphic nature of mathematical concepts, and the high precision required in formal retrieval. We introduce a framework for automatically constructing a concept-definition knowledge base from Mathlib4, the standard mathematical library for the Lean 4 theorem prover, indexing over 26,000 formal definitions and 1,000+ core mathematical concepts. To address conceptual polymorphism, we propose contextual query augmentation with domain- and application-level signals. In addition, we design a dual-channel hybrid retrieval strategy with reranking to ensure accurate and relevant definition retrieval. Experiments on miniF2F, ProofNet, and our newly proposed AdvancedMath benchmark show that CRAMF can be seamlessly integrated into LLM-based autoformalizers, yielding consistent improvements in translation accuracy, achieving up to 62.1% and an average of 29.9% relative improvement.

Real-world databases are predominantly relational, comprising multiple interlinked tables that contain complex structural and statistical dependencies. Learning generative models on relational data has shown great promise in generating synthetic data and imputing missing values. However, existing methods often struggle to capture this complexity, typically reducing relational data to conditionally generated flat tables and imposing limiting structural assumptions. To address these limitations, we introduce RelDiff, a novel diffusion generative model that synthesizes complete relational databases by explicitly modeling their foreign key graph structure. RelDiff combines a joint graph-conditioned diffusion process across all tables for attribute synthesis, and a 2K+SBM graph generator based on the Stochastic Block Model for structure generation. The decomposition of graph structure and relational attributes ensures both high fidelity and referential integrity, both of which are crucial aspects of synthetic relational database generation. Experiments on 11 benchmark datasets demonstrate that RelDiff consistently outperforms prior methods in producing realistic and coherent synthetic relational databases. Code is available at https://github.com/ValterH/RelDiff.

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

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

Concept-based interpretability methods offer a lens into the internals of foundation models by decomposing their embeddings into high-level concepts. These concept representations are most useful when they are compositional, meaning that the individual concepts compose to explain the full sample. We show that existing unsupervised concept extraction methods find concepts which are not compositional. To automatically discover compositional concept representations, we identify two salient properties of such representations, and propose Compositional Concept Extraction (CCE) for finding concepts which obey these properties. We evaluate CCE on five different datasets over image and text data. Our evaluation shows that CCE finds more compositional concept representations than baselines and yields better accuracy on four downstream classification tasks. Code and data are available at https://github.com/adaminsky/compositional_concepts .

In many use-cases, information is stored in text but not available in structured data. However, extracting data from natural language text to precisely fit a schema, and thus enable querying, is a challenging task. With the rise of pre-trained Large Language Models (LLMs), there is now an effective solution to store and use information extracted from massive corpora of text documents. Thus, we envision the use of SQL queries to cover a broad range of data that is not captured by traditional databases by tapping the information in LLMs. To ground this vision, we present Galois, a prototype based on a traditional database architecture, but with new physical operators for querying the underlying LLM. The main idea is to execute some operators of the the query plan with prompts that retrieve data from the LLM. For a large class of SQL queries, querying LLMs returns well structured relations, with encouraging qualitative results. Preliminary experimental results make pre-trained LLMs a promising addition to the field of database systems, introducing a new direction for hybrid query processing. However, we pinpoint several research challenges that must be addressed to build a DBMS that exploits LLMs. While some of these challenges necessitate integrating concepts from the NLP literature, others offer novel research avenues for the DB community.

Text-to-SQL transforms the user queries from natural language to executable SQL programs, enabling non-experts to interact with complex databases. Existing prompt-based methods craft meticulous text guidelines and examples to facilitate SQL generation, but their accuracy is hindered by the large semantic gap between the texts and the low-resource SQL programs. In this work, we propose Pi-SQL, which incorporates the high-resource Python program as a pivot to bridge between the natural language query and SQL program. In particular, Pi-SQL first generates Python programs that provide fine-grained step-by-step guidelines in their code blocks or comments, and then produces an SQL program following the guidance of each Python program. The final SQL program matches the reference Python program's query results and, through selection from candidates generated by different strategies, achieves superior execution speed, with a reward-based valid efficiency score up to 4.55 higher than the best-performing baseline. Extensive experiments demonstrate the effectiveness of Pi-SQL, which improves the execution accuracy of the best-performing baseline by up to 3.20.

Text-to-3D asset generation has achieved significant optimization under the supervision of 2D diffusion priors. However, when dealing with compositional scenes, existing methods encounter several challenges: 1). failure to ensure that composite scene layouts comply with physical laws; 2). difficulty in accurately capturing the assets and relationships described in complex scene descriptions; 3). limited autonomous asset generation capabilities among layout approaches leveraging large language models (LLMs). To avoid these compromises, we propose a novel framework for compositional scene generation, PhiP-G, which seamlessly integrates generation techniques with layout guidance based on a world model. Leveraging LLM-based agents, PhiP-G analyzes the complex scene description to generate a scene graph, and integrating a multimodal 2D generation agent and a 3D Gaussian generation method for targeted assets creation. For the stage of layout, PhiP-G employs a physical pool with adhesion capabilities and a visual supervision agent, forming a world model for layout prediction and planning. Extensive experiments demonstrate that PhiP-G significantly enhances the generation quality and physical rationality of the compositional scenes. Notably, PhiP-G attains state-of-the-art (SOTA) performance in CLIP scores, achieves parity with the leading methods in generation quality as measured by the T^3Bench, and improves efficiency by 24x.

Extracting structured information from unstructured text is crucial for modeling real-world processes, but traditional schema mining relies on semi-structured data, limiting scalability. This paper introduces schema-miner, a novel tool that combines large language models with human feedback to automate and refine schema extraction. Through an iterative workflow, it organizes properties from text, incorporates expert input, and integrates domain-specific ontologies for semantic depth. Applied to materials science--specifically atomic layer deposition--schema-miner demonstrates that expert-guided LLMs generate semantically rich schemas suitable for diverse real-world applications.

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and rich resource of such data. However, manual dataset creation from these resources is challenging due to issues in maintaining quality and consistency, scalability limitations, and the risk of human error and bias. Therefore, in this work, we develop a chemist AI agent, powered by large language models (LLMs), to overcome these challenges by autonomously creating structured datasets from natural language text, ranging from sentences and paragraphs to extensive scientific research articles. Our chemist AI agent, Eunomia, can plan and execute actions by leveraging the existing knowledge from decades of scientific research articles, scientists, the Internet and other tools altogether. We benchmark the performance of our approach in three different information extraction tasks with various levels of complexity, including solid-state impurity doping, metal-organic framework (MOF) chemical formula, and property relations. Our results demonstrate that our zero-shot agent, with the appropriate tools, is capable of attaining performance that is either superior or comparable to the state-of-the-art fine-tuned materials information extraction methods. This approach simplifies compilation of machine learning-ready datasets for various materials discovery applications, and significantly ease the accessibility of advanced natural language processing tools for novice users in natural language. The methodology in this work is developed as an open-source software on https://github.com/AI4ChemS/Eunomia.

Relational databases often suffer from uninformative descriptors of table contents, such as ambiguous columns and hard-to-interpret values, impacting both human users and Text-to-SQL models. This paper explores the use of large language models (LLMs) to generate informative column descriptions as a semantic layer for relational databases. Using the BIRD-Bench development set, we created ColSQL, a dataset with gold-standard column descriptions generated and refined by LLMs and human annotators. We evaluated several instruction-tuned models, finding that GPT-4o and Command R+ excelled in generating high-quality descriptions. Additionally, we applied an LLM-as-a-judge to evaluate model performance. Although this method does not align well with human evaluations, we included it to explore its potential and to identify areas for improvement. More work is needed to improve the reliability of automatic evaluations for this task. We also find that detailed column descriptions significantly improve Text-to-SQL execution accuracy, especially when columns are uninformative. This study establishes LLMs as effective tools for generating detailed metadata, enhancing the usability of relational databases.

Text-to-SQL is the task of translating natural language queries into executable SQL for a given database, enabling non-expert users to access structured data without writing SQL manually. Despite rapid advances driven by large language models (LLMs), existing approaches still struggle with complex queries in real-world settings, where database schemas are large and questions require multi-step reasoning over many interrelated tables. In such cases, providing the full schema often exceeds the context window, while one-shot generation frequently produces non-executable SQL due to syntax errors and incorrect schema linking. To address these challenges, we introduce AV-SQL, a framework that decomposes complex Text-to-SQL into a pipeline of specialized LLM agents. Central to AV-SQL is the concept of agentic views: agent-generated Common Table Expressions (CTEs) that encapsulate intermediate query logic and filter relevant schema elements from large schemas. AV-SQL operates in three stages: (1) a rewriter agent compresses and clarifies the input query; (2) a view generator agent processes schema chunks to produce agentic views; and (3) a planner, generator, and revisor agent collaboratively compose these views into the final SQL query. Extensive experiments show that AV-SQL achieves 70.38% execution accuracy on the challenging Spider 2.0 benchmark, outperforming state-of-the-art baselines, while remaining competitive on standard datasets with 85.59% on Spider, 72.16% on BIRD and 63.78% on KaggleDBQA. Our source code is available at https://github.com/pminhtam/AV-SQL.

Organizing a large-scale knowledge graph into a typed property graph requires structural decisions -- which entities become nodes, which properties become edges, and what schema governs these choices. Existing approaches embed these decisions in pipeline code or extract relations ad hoc, producing schemas that are tightly coupled to their construction process and difficult to reuse for downstream ontology-level tasks. We present an ontology-oriented approach in which the schema is designed from the outset for ontology analysis, entity disambiguation, domain customization, and LLM-guided extraction -- not merely as a byproduct of graph building. The core mechanism is intrinsic-relational routing, which classifies every property as either intrinsic or relational and routes it to the corresponding schema module. This routing produces a declarative schema that is portable across storage backends and independently reusable. We instantiate the approach on the January 2026 Wikidata dump. A rule-based cleaning stage identifies a 34.6M-entity core set from the full dump, followed by iterative intrinsic-relational routing that assigns each property to one of 94 modules organized into 8 categories. With tool-augmented LLM support and human review, the schema reaches 93.3% category coverage and 98.0% module assignment among classified entities. Exporting this schema yields a property graph with 34.0M nodes and 61.2M edges across 38 relationship types. We validate the ontology-oriented claim through five applications that consume the schema independently of the construction pipeline: ontology structure analysis, benchmark annotation auditing, entity disambiguation, domain customization, and LLM-guided extraction.

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.

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.

Program synthesis is challenging largely because of the difficulty of search in a large space of programs. Human programmers routinely tackle the task of writing complex programs by writing sub-programs and then analyzing their intermediate results to compose them in appropriate ways. Motivated by this intuition, we present a new synthesis approach that leverages learning to guide a bottom-up search over programs. In particular, we train a model to prioritize compositions of intermediate values during search conditioned on a given set of input-output examples. This is a powerful combination because of several emergent properties. First, in bottom-up search, intermediate programs can be executed, providing semantic information to the neural network. Second, given the concrete values from those executions, we can exploit rich features based on recent work on property signatures. Finally, bottom-up search allows the system substantial flexibility in what order to generate the solution, allowing the synthesizer to build up a program from multiple smaller sub-programs. Overall, our empirical evaluation finds that the combination of learning and bottom-up search is remarkably effective, even with simple supervised learning approaches. We demonstrate the effectiveness of our technique on two datasets, one from the SyGuS competition and one of our own creation.

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

Language models have shown promising performance on the task of translating natural language questions into SQL queries (Text-to-SQL). However, most of the state-of-the-art (SOTA) approaches rely on powerful yet closed-source large language models (LLMs), such as ChatGPT and GPT-4, which may have the limitations of unclear model architectures, data privacy risks, and expensive inference overheads. To address the limitations, we introduce CodeS, a series of pre-trained language models with parameters ranging from 1B to 15B, specifically designed for the text-to-SQL task. CodeS is a fully open-source language model, which achieves superior accuracy with much smaller parameter sizes. This paper studies the research challenges in building CodeS. To enhance the SQL generation abilities of CodeS, we adopt an incremental pre-training approach using a specifically curated SQL-centric corpus. Based on this, we address the challenges of schema linking and rapid domain adaptation through strategic prompt construction and a bi-directional data augmentation technique. We conduct comprehensive evaluations on multiple datasets, including the widely used Spider benchmark, the newly released BIRD benchmark, robustness-diagnostic benchmarks such as Spider-DK, Spider-Syn, Spider-Realistic, and Dr.Spider, as well as two real-world datasets created for financial and academic applications. The experimental results show that our CodeS achieves new SOTA accuracy and robustness on nearly all challenging text-to-SQL benchmarks.

Large language models (LLMs) are increasingly deployed as agents, expected to decompose goals, invoke tools, and verify results in dynamic environments. Realizing these capabilities requires access to agentic data-structured interaction records that couple user intents with tool specifications, argument-grounded calls, and verifiable execution traces. However, collecting such data from human annotators is costly, time-consuming, and difficult to scale. We present a unified framework for synthesizing agentic data using only LLMs, without any human-in-the-loop supervision. This framework decomposes generation into modular pipelines that produce complete interaction records spanning task specifications, tool definitions, policy pseudocode, natural language exchanges, and execution traces. Records conform to strict syntactic and semantic constraints, ensuring machine-parseability and faithful alignment across inputs, outputs, and tool calls. Beyond single tasks, there is support for both multi-task and multi-turn agent interactions, enabling the construction of datasets that reflect the full spectrum of tool-use competencies. To ensure quality and consistency, the framework integrates constrained generation formats, JSON-schema validation, and judge-based filtering. This paper formalizes the schema for agentic records, details the prompt design principles that guide generation, and introduces scalable pipelines for high-quality synthetic data. By providing a reproducible, LLM-only alternative to manual collection, hence advancing the development of agentic LLMs capable of robust tool use.

In this paper we present SynKB, an open-source, automatically extracted knowledge base of chemical synthesis protocols. Similar to proprietary chemistry databases such as Reaxsys, SynKB allows chemists to retrieve structured knowledge about synthetic procedures. By taking advantage of recent advances in natural language processing for procedural texts, SynKB supports more flexible queries about reaction conditions, and thus has the potential to help chemists search the literature for conditions used in relevant reactions as they design new synthetic routes. Using customized Transformer models to automatically extract information from 6 million synthesis procedures described in U.S. and EU patents, we show that for many queries, SynKB has higher recall than Reaxsys, while maintaining high precision. We plan to make SynKB available as an open-source tool; in contrast, proprietary chemistry databases require costly subscriptions.

Accurate mapping of the built asset information to established data classification systems and taxonomies is crucial for effective asset management, whether for compliance at project handover or ad-hoc data integration scenarios. Due to the complex nature of built asset data, which predominantly comprises technical text elements, this process remains largely manual and reliant on domain expert input. Recent breakthroughs in contextual text representation learning (text embedding), particularly through pre-trained large language models, offer promising approaches that can facilitate the automation of cross-mapping of the built asset data. However, no comprehensive evaluation has yet been conducted to assess these models' ability to effectively represent the complex semantics specific to built asset technical terminology. This study presents a comparative benchmark of state-of-the-art text embedding models to evaluate their effectiveness in aligning built asset information with domain-specific technical concepts. Our proposed datasets are derived from two renowned built asset data classification dictionaries. The results of our benchmarking across six proposed datasets, covering three tasks of clustering, retrieval, and reranking, highlight the need for future research on domain adaptation techniques. The benchmarking resources are published as an open-source library, which will be maintained and extended to support future evaluations in this field.

Large language models (LLMs) have demonstrated remarkable performance across a wide range of tasks and domains, with data playing a central role in enabling these advances. Despite this success, the preparation and effective utilization of the massive datasets required for LLM training remain major bottlenecks. In current practice, LLM training data is often constructed using ad hoc scripts, and there is still a lack of mature, agent-based data preparation systems that can automatically construct robust and reusable data workflows, thereby freeing data scientists from repetitive and error-prone engineering efforts. Moreover, once collected, datasets are often consumed largely in their entirety during training, without systematic mechanisms for data selection, mixture optimization, or reweighting. To address these limitations, we advocate two complementary research directions. First, we propose building a robust, agent-based automatic data preparation system that supports automated workflow construction and scalable data management. Second, we argue for a unified data-model interaction training system in which data is dynamically selected, mixed, and reweighted throughout the training process, enabling more efficient, adaptive, and performance-aware data utilization. Finally, we discuss the remaining challenges and outline promising directions for future research and system development.

Fine granularity is an essential requirement for controllable text generation, which has seen rapid growth with the ability of LLMs. However, existing methods focus mainly on a small set of attributes like 3 to 5, and their performance degrades significantly when the number of attributes increases to the next order of magnitude. To address this challenge, we propose a novel zero-shot approach for extremely fine-grained controllable generation (EFCG), proposing auto-reconstruction (AR) and global preference optimization (GPO). In the AR phase, we leverage LLMs to extract soft attributes (e.g., Emphasis on simplicity and minimalism in design) from raw texts, and combine them with programmatically derived hard attributes (e.g., The text should be between 300 and 400 words) to construct massive (around 45) multi-attribute requirements, which guide the fine-grained text reconstruction process under weak supervision. In the GPO phase, we apply direct preference optimization (DPO) to refine text generation under diverse attribute combinations, enabling efficient exploration of the global combination space. Additionally, we introduce an efficient attribute sampling strategy to identify and correct potentially erroneous attributes, further improving global optimization. Our framework significantly improves the constraint satisfaction rate (CSR) and text quality for EFCG by mitigating position bias and alleviating attention dilution.

Language models (LMs) can perform complex reasoning either end-to-end, with hidden latent state, or compositionally, with transparent intermediate state. Composition offers benefits for interpretability and safety, but may need workflow support and infrastructure to remain competitive. We describe iterated decomposition, a human-in-the-loop workflow for developing and refining compositional LM programs. We improve the performance of compositions by zooming in on failing components and refining them through decomposition, additional context, chain of thought, etc. To support this workflow, we develop ICE, an open-source tool for visualizing the execution traces of LM programs. We apply iterated decomposition to three real-world tasks and improve the accuracy of LM programs over less compositional baselines: describing the placebo used in a randomized controlled trial (25% to 65%), evaluating participant adherence to a medical intervention (53% to 70%), and answering NLP questions on the Qasper dataset (38% to 69%). These applications serve as case studies for a workflow that, if automated, could keep ML systems interpretable and safe even as they scale to increasingly complex tasks.

Despite significant advancements in text-to-image models for generating high-quality images, these methods still struggle to ensure the controllability of text prompts over images in the context of complex text prompts, especially when it comes to retaining object attributes and relationships. In this paper, we propose CompAgent, a training-free approach for compositional text-to-image generation, with a large language model (LLM) agent as its core. The fundamental idea underlying CompAgent is premised on a divide-and-conquer methodology. Given a complex text prompt containing multiple concepts including objects, attributes, and relationships, the LLM agent initially decomposes it, which entails the extraction of individual objects, their associated attributes, and the prediction of a coherent scene layout. These individual objects can then be independently conquered. Subsequently, the agent performs reasoning by analyzing the text, plans and employs the tools to compose these isolated objects. The verification and human feedback mechanism is finally incorporated into our agent to further correct the potential attribute errors and refine the generated images. Guided by the LLM agent, we propose a tuning-free multi-concept customization model and a layout-to-image generation model as the tools for concept composition, and a local image editing method as the tool to interact with the agent for verification. The scene layout controls the image generation process among these tools to prevent confusion among multiple objects. Extensive experiments demonstrate the superiority of our approach for compositional text-to-image generation: CompAgent achieves more than 10\% improvement on T2I-CompBench, a comprehensive benchmark for open-world compositional T2I generation. The extension to various related tasks also illustrates the flexibility of our CompAgent for potential applications.

Query rewriting is a classical technique for transforming complex declarative SQL queries into ``lean'' equivalents that are conducive to (a) faster execution from a performance perspective, and (b) better understanding from a developer perspective. The rewriting is typically achieved via transformation rules, but these rules are limited in scope and difficult to update in a production system. In recent times, LLM-based techniques have also been mooted, but they are prone to both semantic and syntactic errors. We investigate here, how the remarkable cognitive capabilities of LLMs can be leveraged for performant query rewriting while incorporating safeguards and optimizations to ensure correctness and efficiency. Our study shows that these goals can be progressively achieved through incorporation of (a) an ensemble suite of basic prompts, (b) database-sensitive prompts via redundancy removal and selectivity-based rewriting rules, and (c) LLM token probability-guided rewrite paths. Further, a suite of statistical and logic-based tools can be used to guard against errors produced by the model. We have implemented the above LLM-infused techniques in the LITHE system, and evaluated complex analytic queries from multiple benchmarks on contemporary database platforms. The results show significant improvements over SOTA rewriting techniques -- for instance, on TPC-DS, LITHE constructed productive (>1.5x speedup) rewrites for two-thirds of the query suite, delivering four times more coverage than SOTA. Further, the geometric mean of its estimated execution speedups was an order-of-magnitude jump over SOTA performance. In essence, LITHE offers a potent and robust LLM-based intermediary between enterprise applications and database engines.

Advances in large language models have accelerated progress in text-to-SQL, methods for converting natural language queries into valid SQL queries. A key bottleneck for developing generalizable text-to-SQL models is the lack of large-scale datasets with sufficient schema and query complexity, domain coverage, and task diversity. We introduce SQaLe: a large-scale semi-synthetic text-to-SQL dataset built on 135,875 relational database schemas expanded from a collection of real-world schemas, SchemaPile. We establish a principled generation pipeline which combines schema sampling, question synthesis, and SQL construction, and produce 517,676 high-quality (question, schema, query) triples. The SQaLe dataset captures realistic schema size variability, diverse query patterns, and natural language ambiguity while maintaining execution validity. We provide an analysis of its contents and characteristics, and find that SQaLe introduces the most realistic large-scale text-to-SQL dataset to date in comparison with existing benchmarks and datasets. We discuss how SQaLe enables our vision for data scaling and model generalization in text-to-SQL research. The dataset is accessible at: https://huggingface.co/datasets/trl-lab/SQaLe-text-to-SQL-dataset.

Despite the success of large vision and language models (VLMs) in many downstream applications, it is unclear how well they encode compositional information. Here, we create the Attribution, Relation, and Order (ARO) benchmark to systematically evaluate the ability of VLMs to understand different types of relationships, attributes, and order. ARO consists of Visual Genome Attribution, to test the understanding of objects' properties; Visual Genome Relation, to test for relational understanding; and COCO & Flickr30k-Order, to test for order sensitivity. ARO is orders of magnitude larger than previous benchmarks of compositionality, with more than 50,000 test cases. We show where state-of-the-art VLMs have poor relational understanding, can blunder when linking objects to their attributes, and demonstrate a severe lack of order sensitivity. VLMs are predominantly trained and evaluated on large datasets with rich compositional structure in the images and captions. Yet, training on these datasets has not been enough to address the lack of compositional understanding, and evaluating on these datasets has failed to surface this deficiency. To understand why these limitations emerge and are not represented in the standard tests, we zoom into the evaluation and training procedures. We demonstrate that it is possible to perform well on retrieval over existing datasets without using the composition and order information. Given that contrastive pretraining optimizes for retrieval on datasets with similar shortcuts, we hypothesize that this can explain why the models do not need to learn to represent compositional information. This finding suggests a natural solution: composition-aware hard negative mining. We show that a simple-to-implement modification of contrastive learning significantly improves the performance on tasks requiring understanding of order and compositionality.

Text-to-SQL, the task of translating natural language questions into SQL queries, plays a crucial role in enabling non-experts to interact with databases. While recent advancements in large language models (LLMs) have significantly enhanced text-to-SQL performance, existing approaches face notable limitations in real-world text-to-SQL applications. Prompting-based methods often depend on closed-source LLMs, which are expensive, raise privacy concerns, and lack customization. Fine-tuning-based methods, on the other hand, suffer from poor generalizability due to the limited coverage of publicly available training data. To overcome these challenges, we propose a novel and scalable text-to-SQL data synthesis framework for automatically synthesizing large-scale, high-quality, and diverse datasets without extensive human intervention. Using this framework, we introduce SynSQL-2.5M, the first million-scale text-to-SQL dataset, containing 2.5 million samples spanning over 16,000 synthetic databases. Each sample includes a database, SQL query, natural language question, and chain-of-thought (CoT) solution. Leveraging SynSQL-2.5M, we develop OmniSQL, a powerful open-source text-to-SQL model available in three sizes: 7B, 14B, and 32B. Extensive evaluations across nine datasets demonstrate that OmniSQL achieves state-of-the-art performance, matching or surpassing leading closed-source and open-source LLMs, including GPT-4o and DeepSeek-V3, despite its smaller size. We release all code, datasets, and models to support further research.

Formal proofs are challenging to write even for experienced experts. Recent progress in Neural Theorem Proving (NTP) shows promise in expediting this process. However, the formal corpora available on the Internet are limited compared to the general text, posing a significant data scarcity challenge for NTP. To address this issue, this work proposes Alchemy, a general framework for data synthesis that constructs formal theorems through symbolic mutation. Specifically, for each candidate theorem in Mathlib, we identify all invocable theorems that can be used to rewrite or apply to it. Subsequently, we mutate the candidate theorem by replacing the corresponding term in the statement with its equivalent form or antecedent. As a result, our method increases the number of theorems in Mathlib by an order of magnitude, from 110k to 6M. Furthermore, we perform continual pretraining and supervised finetuning on this augmented corpus for large language models. Experimental results demonstrate the effectiveness of our approach, achieving a 5% absolute performance improvement on Leandojo benchmark. Additionally, our synthetic data achieve a 2.5% absolute performance gain on the out-of-distribution miniF2F benchmark. To provide further insights, we conduct a comprehensive analysis of synthetic data composition and the training paradigm, offering valuable guidance for developing a strong theorem prover.

The rapidly growing demand for high-quality data in Large Language Models (LLMs) has intensified the need for scalable, reliable, and semantically rich data preparation pipelines. However, current practices remain dominated by ad-hoc scripts and loosely specified workflows, which lack principled abstractions, hinder reproducibility, and offer limited support for model-in-the-loop data generation. To address these challenges, we present DataFlow, a unified and extensible LLM-driven data preparation framework. DataFlow is designed with system-level abstractions that enable modular, reusable, and composable data transformations, and provides a PyTorch-style pipeline construction API for building debuggable and optimizable dataflows. The framework consists of nearly 200 reusable operators and six domain-general pipelines spanning text, mathematical reasoning, code, Text-to-SQL, agentic RAG, and large-scale knowledge extraction. To further improve usability, we introduce DataFlow-Agent, which automatically translates natural-language specifications into executable pipelines via operator synthesis, pipeline planning, and iterative verification. Across six representative use cases, DataFlow consistently improves downstream LLM performance. Our math, code, and text pipelines outperform curated human datasets and specialized synthetic baselines, achieving up to +3\% execution accuracy in Text-to-SQL over SynSQL, +7\% average improvements on code benchmarks, and 1--3 point gains on MATH, GSM8K, and AIME. Moreover, a unified 10K-sample dataset produced by DataFlow enables base models to surpass counterparts trained on 1M Infinity-Instruct data. These results demonstrate that DataFlow provides a practical and high-performance substrate for reliable, reproducible, and scalable LLM data preparation, and establishes a system-level foundation for future data-centric AI development.

Synthesis procedures play a critical role in materials research, as they directly affect material properties. With data-driven approaches increasingly accelerating materials discovery, there is growing interest in extracting synthesis procedures from scientific literature as structured data. However, existing studies often rely on rigid, domain-specific schemas with predefined fields for structuring synthesis procedures or assume that synthesis procedures are linear sequences of operations, which limits their ability to capture the structural complexity of real-world procedures. To address these limitations, we adopt PROV-DM, an international standard for provenance information, which supports flexible, graph-based modeling of procedures. We present MatPROV, a dataset of PROV-DM-compliant synthesis procedures extracted from scientific literature using large language models. MatPROV captures structural complexities and causal relationships among materials, operations, and conditions through visually intuitive directed graphs. This representation enables machine-interpretable synthesis knowledge, opening opportunities for future research such as automated synthesis planning and optimization.

Text-to-SQL aims to translate natural language queries into SQL statements, which is practical as it enables anyone to easily retrieve the desired information from databases. Recently, many existing approaches tackle this problem with Large Language Models (LLMs), leveraging their strong capability in understanding user queries and generating corresponding SQL code. Yet, the parametric knowledge in LLMs might be limited to covering all the diverse and domain-specific queries that require grounding in various database schemas, which makes generated SQLs less accurate oftentimes. To tackle this, we propose constructing the knowledge base for text-to-SQL, a foundational source of knowledge, from which we retrieve and generate the necessary knowledge for given queries. In particular, unlike existing approaches that either manually annotate knowledge or generate only a few pieces of knowledge for each query, our knowledge base is comprehensive, which is constructed based on a combination of all the available questions and their associated database schemas along with their relevant knowledge, and can be reused for unseen databases from different datasets and domains. We validate our approach on multiple text-to-SQL datasets, considering both the overlapping and non-overlapping database scenarios, where it outperforms relevant baselines substantially.

Training effective Text-to-SQL models remains challenging due to the scarcity of high-quality, diverse, and structurally complex datasets. Existing methods either rely on limited human-annotated corpora, or synthesize datasets directly by simply prompting LLMs without explicit control over SQL structures, often resulting in limited structural diversity and complexity. To address this, we introduce EvolSQL, a structure-aware data synthesis framework that evolves SQL queries from seed data into richer and more semantically diverse forms. EvolSQL starts with an exploratory Query-SQL expansion to broaden question diversity and improve schema coverage, and then applies an adaptive directional evolution strategy using six atomic transformation operators derived from the SQL Abstract Syntax Tree to progressively increase query complexity across relational, predicate, aggregation, and nesting dimensions. An execution-grounded SQL refinement module and schema-aware deduplication further ensure the creation of high-quality, structurally diverse mapping pairs. Experimental results show that a 7B model fine-tuned on our data outperforms one trained on the much larger SynSQL dataset using only 1/18 of the data.

Large Language Models (LLMs) excel at code generation, but ensuring their outputs to be functionally correct, especially in complex programming tasks, is a persistent challenge. While traditional Test-Driven Development (TDD) offers a path for code refinement, its efficacy with LLMs is often undermined by the scarcity of high-quality test cases or the pitfalls of automated test generation, including biased tests or inaccurate output predictions that can misdirect the correction process. This paper introduces Property-Generated Solver, a novel framework that leverages Property-Based Testing (PBT) to validate high-level program properties or invariants, instead of relying on specific input-output examples. These properties are often simpler to define and verify than directly predicting exhaustive test oracles, breaking the "cycle of self-deception" where tests might share flaws with the code they are meant to validate. Property-Generated Solver employs two collaborative LLM-based agents: a Generator dedicated to code generation and iterative refinement, and a Tester that manages the PBT life-cycle and formulate semantically rich feedback from property violations. The resulting comprehensive and actionable feedback then guides the Generator in its refinement efforts. By establishing PBT as the core validation engine within this iterative, closed-loop paradigm, Property-Generated Solver provides a robust mechanism for steering LLMs towards more correct and generalizable code. Extensive experimental results on multiple code generation benchmarks demonstrate that Property-Generated Solver achieves substantial pass@1 improvements, ranging from 23.1% to 37.3% relative gains over established TDD methods.

Query rewriting is one of the most effective techniques for coping with poorly written queries before passing them down to the query optimizer. Manual rewriting is not scalable, as it is error-prone and requires deep expertise. Similarly, traditional query rewriting algorithms can only handle a small subset of queries: rule-based techniques do not generalize to new query patterns and synthesis-based techniques cannot handle complex queries. Fortunately, the rise of Large Language Models (LLMs), equipped with broad general knowledge and advanced reasoning capabilities, has created hopes for solving some of these previously open problems. In this paper, we present GenRewrite, the first holistic system that leverages LLMs for query rewriting. We introduce the notion of Natural Language Rewrite Rules (NLR2s), and use them as hints to the LLM but also a means for transferring knowledge from rewriting one query to another, and thus becoming smarter and more effective over time. We present a novel counterexample-guided technique that iteratively corrects the syntactic and semantic errors in the rewritten query, significantly reducing the LLM costs and the manual effort required for verification. GenRewrite speeds up 22 out of 99 TPC queries (the most complex public benchmark) by more than 2x, which is 2.5x--3.2x higher coverage than state-of-the-art traditional query rewriting and 2.1x higher than the out-of-the-box LLM baseline.

Schema linking is a critical bottleneck in applying existing Text-to-SQL models to real-world, large-scale, multi-database environments. Through error analysis, we identify two major challenges in schema linking: (1) Database Retrieval: accurately selecting the target database from a large schema pool, while effectively filtering out irrelevant ones; and (2) Schema Item Grounding: precisely identifying the relevant tables and columns within complex and often redundant schemas for SQL generation. Based on these, we introduce LinkAlign, a novel framework tailored for large-scale databases with thousands of fields. LinkAlign comprises three key steps: multi-round semantic enhanced retrieval and irrelevant information isolation for Challenge 1, and schema extraction enhancement for Challenge 2. Each stage supports both Agent and Pipeline execution modes, enabling balancing efficiency and performance via modular design. To enable more realistic evaluation, we construct AmbiDB, a synthetic dataset designed to reflect the ambiguity of real-world schema linking. Experiments on widely-used Text-to-SQL benchmarks demonstrate that LinkAlign consistently outperforms existing baselines on all schema linking metrics. Notably, it improves the overall Text-to-SQL pipeline and achieves a new state-of-the-art score of 33.09% on the Spider 2.0-Lite benchmark using only open-source LLMs, ranking first on the leaderboard at the time of submission. The codes are available at https://github.com/Satissss/LinkAlign

Relational Foundation Models (RFMs) facilitate data-driven decision-making by learning from complex multi-table databases. However, the diverse relational databases needed to train such models are rarely public due to privacy constraints. While there are methods to generate synthetic tabular data of arbitrary size, incorporating schema structure and primary--foreign key connectivity for multi-table generation remains challenging. Here we introduce PluRel, a framework to synthesize multi-tabular relational databases from scratch. In a step-by-step fashion, PluRel models (1) schemas with directed graphs, (2) inter-table primary-foreign key connectivity with bipartite graphs, and, (3) feature distributions in tables via conditional causal mechanisms. The design space across these stages supports the synthesis of a wide range of diverse databases, while being computationally lightweight. Using PluRel, we observe for the first time that (1) RFM pretraining loss exhibits power-law scaling with the number of synthetic databases and total pretraining tokens, (2) scaling the number of synthetic databases improves generalization to real databases, and (3) synthetic pretraining yields strong base models for continued pretraining on real databases. Overall, our framework and results position synthetic data scaling as a promising paradigm for RFMs.

In this study, we introduced a new benchmark consisting of a curated dataset and a defined evaluation process to assess the compositional reasoning capabilities of large language models within the chemistry domain. We designed and validated a fully automated pipeline, verified by subject matter experts, to facilitate this task. Our approach integrates OpenAI reasoning models with named entity recognition (NER) systems to extract chemical entities from recent literature, which are then augmented with external knowledge bases to form a comprehensive knowledge graph. By generating multi-hop questions across these graphs, we assess LLM performance in both context-augmented and non-context augmented settings. Our experiments reveal that even state-of-the-art models face significant challenges in multi-hop compositional reasoning. The results reflect the importance of augmenting LLMs with document retrieval, which can have a substantial impact on improving their performance. However, even perfect retrieval accuracy with full context does not eliminate reasoning errors, underscoring the complexity of compositional reasoning. This work not only benchmarks and highlights the limitations of current LLMs but also presents a novel data generation pipeline capable of producing challenging reasoning datasets across various domains. Overall, this research advances our understanding of reasoning in computational linguistics.

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.

Large language models (LLMs) have made impressive progress in chemistry applications, including molecular property prediction, molecular generation, experimental protocol design, etc. However, the community lacks a dialogue-based model specifically designed for chemistry. The challenge arises from the fact that most chemical data and scientific knowledge are primarily stored in structured databases, and the direct use of these structured data compromises the model's ability to maintain coherent dialogue. To tackle this issue, we develop a novel template-based instruction construction method that transforms structured knowledge into plain dialogue, making it suitable for language model training. By leveraging this approach, we develop ChemLLM, the first large language model dedicated to chemistry, capable of performing various tasks across chemical disciplines with smooth dialogue interaction. ChemLLM beats GPT-3.5 on all three principal tasks in chemistry, i.e., name conversion, molecular caption, and reaction prediction, and surpasses GPT-4 on two of them. Remarkably, ChemLLM also shows exceptional adaptability to related mathematical and physical tasks despite being trained mainly on chemical-centric corpora. Furthermore, ChemLLM demonstrates proficiency in specialized NLP tasks within chemistry, such as literature translation and cheminformatic programming. ChemLLM opens up a new avenue for exploration within chemical studies, while our method of integrating structured chemical knowledge into dialogue systems sets a new frontier for developing LLMs across various scientific fields. Codes, Datasets, and Model weights are publicly accessible at hf.co/AI4Chem/ChemLLM-7B-Chat.

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.

Computer-Aided Design (CAD) models are defined by their construction history: a parametric recipe that encodes design intent. However, existing large-scale 3D datasets predominantly consist of boundary representations (B-Reps) or meshes, stripping away this critical procedural information. To address this scarcity, we introduce Zero-to-CAD, a scalable framework for synthesizing executable CAD construction sequences. We frame synthesis as an agentic search problem: by embedding a large language model (LLM) within a feedback-driven CAD environment, our system iteratively generates, executes, and validates code using tools and documentation lookup to promote geometric validity and operation diversity. This agentic approach enables the synthesis of approximately one million executable, readable, editable CAD sequences, covering a rich vocabulary of operations beyond sketch-and-extrude workflows. We also release a curated subset of 100,000 high-quality models selected for geometric diversity. To demonstrate the dataset's utility, we fine-tune a vision-language model on our synthetic data to reconstruct editable CAD programs from multi-view images, outperforming strong baselines, including GPT-5.2, and effectively bootstrapping sequence generation capabilities without real construction-history training data. Zero-to-CAD bridges the gap between geometric scale and parametric interpretability, offering a vital resource for the next generation of CAD AI.

JSON Schema is an important, evolving standard schema language for families of JSON documents. It is based on a complex combination of structural and Boolean assertions, and features negation and recursion. The static analysis of JSON Schema documents comprises practically relevant problems, including schema satisfiability, inclusion, and equivalence. These three problems can be reduced to witness generation: given a schema, generate an element of the schema, if it exists, and report failure otherwise. Schema satisfiability, inclusion, and equivalence have been shown to be decidable, by reduction to reachability in alternating tree automata. However, no witness generation algorithm has yet been formally described. We contribute a first, direct algorithm for JSON Schema witness generation. We study its effectiveness and efficiency, in experiments over several schema collections, including thousands of real-world schemas. Our focus is on the completeness of the language, where we only exclude the uniqueItems operator, and on the ability of the algorithm to run in a reasonable time on a large set of real-world examples, despite the exponential complexity of the underlying problem.

Many organizations rely on data from government and third-party sources, and those sources rarely follow the same data formatting. This introduces challenges in integrating data from multiple sources or aligning external sources with internal databases. Commercial database systems do not offer adequate support for integrating data from heterogeneous sources, and manual integration is both time-consuming and inefficient. State-of-the-art data integration approaches that rely on similarity functions and textual transformations often fail to handle challenging cases where multiple mappings are required, or the mappings go beyond simple textual transformations. In this paper, we study the potentials of deep neural models for transforming tables for joinability. In particular, we cast the problem as a prediction task and develop a framework that leverages large deep-learning language models to transform tabular data from a source formatting to a desired target representation. Our framework can efficiently learn the patterns for mapping a source formatting into an expected target using just a few examples, which can then be used for tasks such as table joining, filling in missing values, and error detection. Compared to state-of-the-art mapping and joining approaches, our framework delivers noticeably more accurate and scalable performance on both real-world and synthetic datasets. Our experimental evaluation also shows that the performance of the proposed framework using our fine-tuned model is at par or better than large language models such as GPT-3, despite the significant difference in size, and that using large language models within our framework improves their performance.

Generating accurate SQL from natural language questions (text-to-SQL) is a long-standing challenge due to the complexities in user question understanding, database schema comprehension, and SQL generation. Conventional text-to-SQL systems, comprising human engineering and deep neural networks, have made substantial progress. Subsequently, pre-trained language models (PLMs) have been developed and utilized for text-to-SQL tasks, achieving promising performance. As modern databases become more complex, the corresponding user questions also grow more challenging, causing PLMs with parameter constraints to produce incorrect SQL. This necessitates more sophisticated and tailored optimization methods, which, in turn, restricts the applications of PLM-based systems. Recently, large language models (LLMs) have demonstrated significant capabilities in natural language understanding as the model scale increases. Therefore, integrating LLM-based implementation can bring unique opportunities, improvements, and solutions to text-to-SQL research. In this survey, we present a comprehensive review of LLM-based text-to-SQL. Specifically, we propose a brief overview of the technical challenges and the evolutionary process of text-to-SQL. Then, we provide a detailed introduction to the datasets and metrics designed to evaluate text-to-SQL systems. After that, we present a systematic analysis of recent advances in LLM-based text-to-SQL. Finally, we discuss the remaining challenges in this field and propose expectations for future research directions.

Data-driven materials discovery requires large-scale experimental datasets, yet most of the information remains trapped in unstructured literature. Existing extraction efforts often focus on a limited set of features and have not addressed the integrated composition-processing-microstructure-property relationships essential for understanding materials behavior, thereby posing challenges for building comprehensive databases. To address this gap, we propose a multi-stage information extraction pipeline powered by large language models, which captures 47 features spanning composition, processing, microstructure, and properties exclusively from experimentally reported materials. The pipeline integrates iterative extraction with source tracking to enhance both accuracy and reliability. Evaluations at the feature level (independent attributes) and tuple level (interdependent features) yielded F1 scores around 0.96. Compared with single-pass extraction without source tracking, our approach improved F1 scores of microstructure category by 10.0% (feature level) and 13.7% (tuple level), and reduced missed materials from 49 to 13 out of 396 materials in 100 articles on precipitate-containing multi-principal element alloys (miss rate reduced from 12.4% to 3.3%). The pipeline enables scalable and efficient literature mining, producing databases with high precision, minimal omissions, and zero false positives. These datasets provide trustworthy inputs for machine learning and materials informatics, while the modular design generalizes to diverse material classes, enabling comprehensive materials information extraction.

Composition is a cornerstone of visual aesthetics, influencing the appeal of an image. While its principles operate independently of specific content, in practice, composition is often coupled with semantics. As a result, existing methods often enhance composition either through implicit learning or by semantics-based layout control, rather than explicitly modeling composition itself. To address this gap, we introduce Composer, a framework rooted in aesthetic theory, designed to model composition in a semantic-agnostic manner. First, it supports composition transfer by extracting key composition-aware representations from a reference image and leveraging a tailored conditional guidance module to control composition based on pre-trained diffusion models. Second, when users specify only text themes without a composition reference, Composer supports theme-driven composition retrieval by leveraging the in-context learning capabilities of Large Vision-Language Models (LVLMs), achieving explicit composition planning. To enhance composition in a reference-free mode, we conduct text-to-composition fine-tuning on the trained control module to enable implicit composition planning. Furthermore, we curated a high-quality dataset comprising 2 million image-text pairs using state-of-the-art generative models to support model training. Experimental results demonstrate that Composer significantly enhances aesthetic quality in text-to-image tasks and facilitates personalized composition control and transfer, offering users precision and flexibility in the creative process.

Recent text-to-image diffusion-based generative models have the stunning ability to generate highly detailed and photo-realistic images and achieve state-of-the-art low FID scores on challenging image generation benchmarks. However, one of the primary failure modes of these text-to-image generative models is in composing attributes, objects, and their associated relationships accurately into an image. In our paper, we investigate this compositionality-based failure mode and highlight that imperfect text conditioning with CLIP text-encoder is one of the primary reasons behind the inability of these models to generate high-fidelity compositional scenes. In particular, we show that (i) there exists an optimal text-embedding space that can generate highly coherent compositional scenes which shows that the output space of the CLIP text-encoder is sub-optimal, and (ii) we observe that the final token embeddings in CLIP are erroneous as they often include attention contributions from unrelated tokens in compositional prompts. Our main finding shows that the best compositional improvements can be achieved (without harming the model's FID scores) by fine-tuning {\it only} a simple linear projection on CLIP's representation space in Stable-Diffusion variants using a small set of compositional image-text pairs. This result demonstrates that the sub-optimality of the CLIP's output space is a major error source. We also show that re-weighting the erroneous attention contributions in CLIP can also lead to improved compositional performances, however these improvements are often less significant than those achieved by solely learning a linear projection head, highlighting erroneous attentions to be only a minor error source.

Large-scale formalization projects in Lean rely on blueprints: structured dependency graphs linking informal mathematical exposition to formal declarations. While blueprints are central to human collaboration, existing tooling treats the informal (LaTeX) and formal (Lean) components as largely decoupled artifacts, leading to maintenance overhead and limiting integration with AI automation. We present LeanArchitect, a Lean package for extracting, managing, and exporting blueprint data directly from Lean code. LeanArchitect introduces a declarative annotation mechanism that associates formal declarations with blueprint metadata, automatically infers dependency information, and generates LaTeX blueprint content synchronized with the Lean development. This design eliminates duplication between formal and informal representations and eases fine-grained progress tracking for both human contributors and AI-based theorem provers. We demonstrate the practicality of LeanArchitect through the automated conversion of several large existing blueprint-driven projects, and through a human--AI collaboration case study formalizing a multivariate Taylor theorem. Our results show that LeanArchitect improves maintainability, exposes latent inconsistencies in existing blueprints, and provides an effective interface for integrating AI tools into real-world formalization workflows.

Recent advancements in Text-to-SQL (Text2SQL) emphasize stimulating the large language models (LLM) on in-context learning, achieving significant results. Nevertheless, they face challenges when dealing with verbose database information and complex user intentions. This paper presents a two-stage framework to enhance the performance of current LLM-based natural language to SQL systems. We first introduce a novel prompt representation, called reference-enhanced representation, which includes schema information and randomly sampled cell values from tables to instruct LLMs in generating SQL queries. Then, in the first stage, question-SQL pairs are retrieved as few-shot demonstrations, prompting the LLM to generate a preliminary SQL (PreSQL). After that, the mentioned entities in PreSQL are parsed to conduct schema linking, which can significantly compact the useful information. In the second stage, with the linked schema, we simplify the prompt's schema information and instruct the LLM to produce the final SQL. Finally, as the post-refinement module, we propose using cross-consistency across different LLMs rather than self-consistency within a particular LLM. Our methods achieve new SOTA results on the Spider benchmark, with an execution accuracy of 87.6%.

Compositionality is a critical capability in Text-to-Image (T2I) models, as it reflects their ability to understand and combine multiple concepts from text descriptions. Existing evaluations of compositional capability rely heavily on human-designed text prompts or fixed templates, limiting their diversity and complexity, and yielding low discriminative power. We propose ConceptMix, a scalable, controllable, and customizable benchmark which automatically evaluates compositional generation ability of T2I models. This is done in two stages. First, ConceptMix generates the text prompts: concretely, using categories of visual concepts (e.g., objects, colors, shapes, spatial relationships), it randomly samples an object and k-tuples of visual concepts, then uses GPT4-o to generate text prompts for image generation based on these sampled concepts. Second, ConceptMix evaluates the images generated in response to these prompts: concretely, it checks how many of the k concepts actually appeared in the image by generating one question per visual concept and using a strong VLM to answer them. Through administering ConceptMix to a diverse set of T2I models (proprietary as well as open ones) using increasing values of k, we show that our ConceptMix has higher discrimination power than earlier benchmarks. Specifically, ConceptMix reveals that the performance of several models, especially open models, drops dramatically with increased k. Importantly, it also provides insight into the lack of prompt diversity in widely-used training datasets. Additionally, we conduct extensive human studies to validate the design of ConceptMix and compare our automatic grading with human judgement. We hope it will guide future T2I model development.

Automated theorem proving (ATP) has become an appealing domain for exploring the reasoning ability of the recent successful generative language models. However, current ATP benchmarks mainly focus on symbolic inference, but rarely involve the understanding of complex number combination reasoning. In this work, we propose TRIGO, an ATP benchmark that not only requires a model to reduce a trigonometric expression with step-by-step proofs but also evaluates a generative LM's reasoning ability on formulas and its capability to manipulate, group, and factor number terms. We gather trigonometric expressions and their reduced forms from the web, annotate the simplification process manually, and translate it into the Lean formal language system. We then automatically generate additional examples from the annotated samples to expand the dataset. Furthermore, we develop an automatic generator based on Lean-Gym to create dataset splits of varying difficulties and distributions in order to thoroughly analyze the model's generalization ability. Our extensive experiments show our proposed TRIGO poses a new challenge for advanced generative LM's including GPT-4 which is pre-trained on a considerable amount of open-source formal theorem-proving language data, and provide a new tool to study the generative LM's ability on both formal and mathematical reasoning.

Developing ceramic glazes is a costly, time-consuming process of trial and error due to complex chemistry, placing a significant burden on independent artists. While recent advances in multimodal AI offer a modern solution, the field lacks the large-scale datasets required to train these models. We propose GlazyBench, the first dataset for AI-assisted glaze design. Comprising 23,148 real glaze formulations, GlazyBench supports two primary tasks: predicting post-firing surface properties, such as color and transparency, from raw materials, and generating accurate visual representations of the glaze based on these properties. We establish comprehensive baselines for property prediction using traditional machine learning and large language models, alongside image generation benchmarks using deep generative and large multimodal models. Our experiments demonstrate promising yet challenging results. GlazyBench pioneers a new research direction in AI-assisted material design, providing a standardized benchmark for systematic evaluation.

Recent advances in Text-to-3D (T23D) generative models have enabled the synthesis of diverse, high-fidelity 3D assets from textual prompts. However, existing challenges restrict the development of reliable T23D quality assessment (T23DQA). First, existing benchmarks are outdated, fragmented, and coarse-grained, making fine-grained metric training infeasible. Moreover, current objective metrics exhibit inherent design limitations, resulting in non-representative feature extraction and diminished metric robustness. To address these limitations, we introduce T23D-CompBench, a comprehensive benchmark for compositional T23D generation. We define five components with twelve sub-components for compositional prompts, which are used to generate 3,600 textured meshes from ten state-of-the-art generative models. A large-scale subjective experiment is conducted to collect 129,600 reliable human ratings across different perspectives. Based on T23D-CompBench, we further propose Rank2Score, an effective evaluator with two-stage training for T23DQA. Rank2Score enhances pairwise training via supervised contrastive regression and curriculum learning in the first stage, and subsequently refines predictions using mean opinion scores to achieve closer alignment with human judgments in the second stage. Extensive experiments and downstream applications demonstrate that Rank2Score consistently outperforms existing metrics across multiple dimensions and can additionally serve as a reward function to optimize generative models. The project is available at https://cbysjtu.github.io/Rank2Score/.

Foundational models with billions of parameters which have been trained on large corpora of data have demonstrated non-trivial skills in a variety of domains. However, due to their monolithic structure, it is challenging and expensive to augment them or impart new skills. On the other hand, due to their adaptation abilities, several new instances of these models are being trained towards new domains and tasks. In this work, we study the problem of efficient and practical composition of existing foundation models with more specific models to enable newer capabilities. To this end, we propose CALM -- Composition to Augment Language Models -- which introduces cross-attention between models to compose their representations and enable new capabilities. Salient features of CALM are: (i) Scales up LLMs on new tasks by 're-using' existing LLMs along with a few additional parameters and data, (ii) Existing model weights are kept intact, and hence preserves existing capabilities, and (iii) Applies to diverse domains and settings. We illustrate that augmenting PaLM2-S with a smaller model trained on low-resource languages results in an absolute improvement of up to 13\% on tasks like translation into English and arithmetic reasoning for low-resource languages. Similarly, when PaLM2-S is augmented with a code-specific model, we see a relative improvement of 40\% over the base model for code generation and explanation tasks -- on-par with fully fine-tuned counterparts.

We present Epicure, a family of three sibling skip-gram ingredient embeddings retrained from scratch on a multilingual recipe corpus. We aggregate 4.14M recipes from 11 sources spanning seven languages, English, Chinese, Russian, Vietnamese, Spanish, Turkish, Indonesian, German, and Indian-English, and normalise the raw ingredient strings to 1,790 canonical entries via an LLM-augmented pipeline. A 203,508-edge ingredient-ingredient NPMI graph and an 80,019-edge typed FlavorDB ingredient-compound graph, 2,247 typed compound nodes across 15 categories, seed three Metapath2Vec variants that share architecture and hyperparameters and differ only in the random-walk schema: Cooc walks the co-occurrence graph only, Chem walks the typed compound metapaths only, and Core blends both via injected ingredient-ingredient walks at controlled mixing, placing each model at a distinct point on the chemistry-vs-recipe-context spectrum.

Utilizing large language models (LLMs) for transforming natural language questions into SQL queries (text-to-SQL) is a promising yet challenging approach, particularly when applied to real-world databases with complex and extensive schemas. In particular, effectively incorporating data catalogs and database values for SQL generation remains an obstacle, leading to suboptimal solutions. We address this problem by proposing a new pipeline that effectively retrieves relevant data and context, selects an efficient schema, and synthesizes correct and efficient SQL queries. To increase retrieval precision, our pipeline introduces a hierarchical retrieval method leveraging model-generated keywords, locality-sensitive hashing indexing, and vector databases. Additionally, we have developed an adaptive schema pruning technique that adjusts based on the complexity of the problem and the model's context size. Our approach generalizes to both frontier proprietary models like GPT-4 and open-source models such as Llama-3-70B. Through a series of ablation studies, we demonstrate the effectiveness of each component of our pipeline and its impact on the end-to-end performance. Our method achieves new state-of-the-art performance on the cross-domain challenging BIRD dataset.

Recent text-to-SQL systems powered by large language models (LLMs) have demonstrated remarkable performance in translating natural language queries into SQL. However, these systems often struggle with complex database structures and domain-specific queries, as they primarily focus on enhancing logical reasoning and SQL syntax while overlooking the critical need for comprehensive database understanding. To address this limitation, we propose DB-Explore, a novel framework that systematically aligns LLMs with database knowledge through automated exploration and instruction synthesis. DB-Explore constructs database graphs to capture complex relational schemas, leverages GPT-4 to systematically mine structural patterns and semantic knowledge, and synthesizes instructions to distill this knowledge for efficient fine-tuning of LLMs. Our framework enables comprehensive database understanding through diverse sampling strategies and automated instruction generation, bridging the gap between database structures and language models. Experiments conducted on the SPIDER and BIRD benchmarks validate the effectiveness of DB-Explore, achieving an execution accuracy of 52.1% on BIRD and 84.0% on SPIDER. Notably, our open-source implementation, based on the Qwen2.5-coder-7B model, outperforms multiple GPT-4-driven text-to-SQL systems in comparative evaluations, and achieves near state-of-the-art performance with minimal computational cost.

Compositional Reasoning (CR) entails grasping the significance of attributes, relations, and word order. Recent Vision-Language Models (VLMs), comprising a visual encoder and a Large Language Model (LLM) decoder, have demonstrated remarkable proficiency in such reasoning tasks. This prompts a crucial question: have VLMs effectively tackled the CR challenge? We conjecture that existing CR benchmarks may not adequately push the boundaries of modern VLMs due to the reliance on an LLM-only negative text generation pipeline. Consequently, the negatives produced either appear as outliers from the natural language distribution learned by VLMs' LLM decoders or as improbable within the corresponding image context. To address these limitations, we introduce ConMe -- a compositional reasoning benchmark and a novel data generation pipeline leveraging VLMs to produce `hard CR Q&A'. Through a new concept of VLMs conversing with each other to collaboratively expose their weaknesses, our pipeline autonomously generates, evaluates, and selects challenging compositional reasoning questions, establishing a robust CR benchmark, also subsequently validated manually. Our benchmark provokes a noteworthy, up to 33%, decrease in CR performance compared to preceding benchmarks, reinstating the CR challenge even for state-of-the-art VLMs.

Deploying accurate Text-to-SQL systems at the enterprise level faces a difficult trilemma involving cost, security and performance. Current solutions force enterprises to choose between expensive, proprietary Large Language Models (LLMs) and low-performing Small Language Models (SLMs). Efforts to improve SLMs often rely on distilling reasoning from large LLMs using unstructured Chain-of-Thought (CoT) traces, a process that remains inherently ambiguous. Instead, we hypothesize that a formal, structured reasoning representation provides a clearer, more reliable teaching signal, as the Text-to-SQL task requires explicit and precise logical steps. To evaluate this hypothesis, we propose Struct-SQL, a novel Knowledge Distillation (KD) framework that trains an SLM to emulate a powerful large LLM. Consequently, we adopt a query execution plan as a formal blueprint to derive this structured reasoning. Our SLM, distilled with structured CoT, achieves an absolute improvement of 8.1% over an unstructured CoT distillation baseline. A detailed error analysis reveals that a key factor in this gain is a marked reduction in syntactic errors. This demonstrates that teaching a model to reason using a structured logical blueprint is beneficial for reliable SQL generation in SLMs.

Creating new documents by synthesizing information from existing sources is an important part of knowledge work in many domains. This process often involves gathering content from multiple documents, organizing it, and then transforming it into new forms such as reports, slides, or spreadsheets. While recent advances in Generative AI have shown potential in automating parts of this process, they often provide limited user control over the handling of multimodal inputs and outputs. In this work, we introduce the notion of "infomorphs" which are modular, user-steerable, AI-augmented transformations that support controlled synthesis, and restructuring of information across formats and modalities. We propose a design space that leverage infomorph-driven workflows to enable flexible, interactive, and multimodal document creation by combining Generative AI techniques with user intent and desired information context. As a concrete instantiation of this design space, we present DocuCraft, a canvas-based interface to visually compose infomorph workflows. DocuCraft allows users to chain together infomorphs that perform operations such as page extraction, content summarization, reformatting, and generation, leveraging Generative AI at each stage to support rich, cross-document and cross-modal transformations. We demonstrate the capabilities of DocuCraft through an example-driven usage scenario that spans across different facets of common knowledge work tasks illustrating its support for fluid, human-in-the-loop document synthesis and highlights opportunities for more transparent and modular interaction for Generative AI-assisted information work.

Material discovery is a critical research area with profound implications for various industries. In this work, we introduce MatExpert, a novel framework that leverages Large Language Models (LLMs) and contrastive learning to accelerate the discovery and design of new solid-state materials. Inspired by the workflow of human materials design experts, our approach integrates three key stages: retrieval, transition, and generation. First, in the retrieval stage, MatExpert identifies an existing material that closely matches the desired criteria. Second, in the transition stage, MatExpert outlines the necessary modifications to transform this material formulation to meet specific requirements outlined by the initial user query. Third, in the generation state, MatExpert performs detailed computations and structural generation to create new materials based on the provided information. Our experimental results demonstrate that MatExpert outperforms state-of-the-art methods in material generation tasks, achieving superior performance across various metrics including validity, distribution, and stability. As such, MatExpert represents a meaningful advancement in computational material discovery using langauge-based generative models.

The task of converting natural language queries into SQL queries is intricate, necessitating a blend of precise techniques for an accurate translation. The DIN-SQL (Decomposed-In-Context SQL) methodology represents a significant development in this domain. This paper introduces DFIN (Decomposed Focused-In-Context), an innovative extension of DIN-SQL that enhances Text-to-SQL conversion by addressing schema linking errors, which are a major source of inaccuracies. DFIN uniquely alternates between prompting techniques and Retrieval-Augmented Generation (RAG), adapting to the size and complexity of the database schema. A preprocessing phase embeds database definitions and leverages annotated files, akin to those in the BIRD dataset, facilitating the runtime retrieval of pertinent schema information. This strategy significantly reduces the token count for schema linking prompts, enabling the use of a standard GPT-4 model over its larger context variant, thus handling large-scale databases more effectively and economically. Our evaluation on the BIRD dataset, a challenging real-world benchmark, demonstrates that DFIN not only scales efficiently but also improves accuracy, achieving a score of 51.69. This improvement surpasses DIN-SQL method (the current third-place), which is the highest-ranked model employing in-context learning rather than fine-tuning, previously scoring 50.72. The advancement of DFIN underscores the evolving capabilities of in-context learning methodologies combined with advanced language models, offering a promising avenue for future research in complex Text-to-SQL conversion tasks.

Large monolithic generative models trained on massive amounts of data have become an increasingly dominant approach in AI research. In this paper, we argue that we should instead construct large generative systems by composing smaller generative models together. We show how such a compositional generative approach enables us to learn distributions in a more data-efficient manner, enabling generalization to parts of the data distribution unseen at training time. We further show how this enables us to program and construct new generative models for tasks completely unseen at training. Finally, we show that in many cases, we can discover separate compositional components from data.

Text-to-image (T2I) generation aims to synthesize images from textual prompts, which jointly specify what must be shown and imply what can be inferred, thereby corresponding to two core capabilities: composition and reasoning. However, with the emerging advances of T2I models in reasoning beyond composition, existing benchmarks reveal clear limitations in providing comprehensive evaluations across and within these capabilities. Meanwhile, these advances also enable models to handle more complex prompts, whereas current benchmarks remain limited to low scene density and simplified one-to-one reasoning. To address these limitations, we propose T2I-CoReBench, a comprehensive and complex benchmark that evaluates both composition and reasoning capabilities of T2I models. To ensure comprehensiveness, we structure composition around scene graph elements (instance, attribute, and relation) and reasoning around the philosophical framework of inference (deductive, inductive, and abductive), formulating a 12-dimensional evaluation taxonomy. To increase complexity, driven by the inherent complexities of real-world scenarios, we curate each prompt with high compositional density for composition and multi-step inference for reasoning. We also pair each prompt with a checklist that specifies individual yes/no questions to assess each intended element independently to facilitate fine-grained and reliable evaluation. In statistics, our benchmark comprises 1,080 challenging prompts and around 13,500 checklist questions. Experiments across 27 current T2I models reveal that their composition capability still remains limited in complex high-density scenarios, while the reasoning capability lags even further behind as a critical bottleneck, with all models struggling to infer implicit elements from prompts. Our project page: https://t2i-corebench.github.io/.

Recent advances in text-to-image (T2I) generation have shown remarkable success in producing high-quality images from text. However, existing T2I models show decayed performance in compositional image generation involving multiple objects and intricate relationships. We attribute this problem to limitations in existing datasets of image-text pairs, which lack precise inter-object relationship annotations with prompts only. To address this problem, we construct LAION-SG, a large-scale dataset with high-quality structural annotations of scene graphs (SG), which precisely describe attributes and relationships of multiple objects, effectively representing the semantic structure in complex scenes. Based on LAION-SG, we train a new foundation model SDXL-SG to incorporate structural annotation information into the generation process. Extensive experiments show advanced models trained on our LAION-SG boast significant performance improvements in complex scene generation over models on existing datasets. We also introduce CompSG-Bench, a benchmark that evaluates models on compositional image generation, establishing a new standard for this domain.

Accurate and comprehensive material databases extracted from research papers are critical for materials science and engineering but require significant human effort to develop. In this paper we present a simple method of extracting materials data from full texts of research papers suitable for quickly developing modest-sized databases. The method requires minimal to no coding, prior knowledge about the extracted property, or model training, and provides high recall and almost perfect precision in the resultant database. The method is fully automated except for one human-assisted step, which typically requires just a few hours of human labor. The method builds on top of natural language processing and large general language models but can work with almost any such model. The language models GPT-3/3.5, bart and DeBERTaV3 are evaluated here for comparison. We provide a detailed detailed analysis of the methods performance in extracting bulk modulus data, obtaining up to 90% precision at 96% recall, depending on the amount of human effort involved. We then demonstrate the methods broader effectiveness by developing a database of critical cooling rates for metallic glasses.

Computer Aided Design (CAD) is indispensable across various industries. Text-based CAD editing, which automates the modification of CAD models based on textual instructions, holds great potential but remains underexplored. Existing methods primarily focus on design variation generation or text-based CAD generation, either lacking support for text-based control or neglecting existing CAD models as constraints. We introduce CAD-Editor, the first framework for text-based CAD editing. To address the challenge of demanding triplet data with accurate correspondence for training, we propose an automated data synthesis pipeline. This pipeline utilizes design variation models to generate pairs of original and edited CAD models and employs Large Vision-Language Models (LVLMs) to summarize their differences into editing instructions. To tackle the composite nature of text-based CAD editing, we propose a locate-then-infill framework that decomposes the task into two focused sub-tasks: locating regions requiring modification and infilling these regions with appropriate edits. Large Language Models (LLMs) serve as the backbone for both sub-tasks, leveraging their capabilities in natural language understanding and CAD knowledge. Experiments show that CAD-Editor achieves superior performance both quantitatively and qualitatively.

Text-to-image (T2I) generative models, such as Stable Diffusion and DALL-E, have shown remarkable proficiency in producing high-quality, realistic, and natural images from textual descriptions. However, these models sometimes fail to accurately capture all the details specified in the input prompts, particularly concerning entities, attributes, and spatial relationships. This issue becomes more pronounced when the prompt contains novel or complex compositions, leading to what are known as compositional generation failure modes. Recently, a new open-source diffusion-based T2I model, FLUX, has been introduced, demonstrating strong performance in high-quality image generation. Additionally, autoregressive T2I models like LlamaGen have claimed competitive visual quality performance compared to diffusion-based models. In this study, we evaluate the compositional generation capabilities of these newly introduced models against established models using the T2I-CompBench benchmark. Our findings reveal that LlamaGen, as a vanilla autoregressive model, is not yet on par with state-of-the-art diffusion models for compositional generation tasks under the same criteria, such as model size and inference time. On the other hand, the open-source diffusion-based model FLUX exhibits compositional generation capabilities comparable to the state-of-the-art closed-source model DALL-E3.

Text-to-video (T2V) generation models have advanced significantly, yet their ability to compose different objects, attributes, actions, and motions into a video remains unexplored. Previous text-to-video benchmarks also neglect this important ability for evaluation. In this work, we conduct the first systematic study on compositional text-to-video generation. We propose T2V-CompBench, the first benchmark tailored for compositional text-to-video generation. T2V-CompBench encompasses diverse aspects of compositionality, including consistent attribute binding, dynamic attribute binding, spatial relationships, motion binding, action binding, object interactions, and generative numeracy. We further carefully design evaluation metrics of MLLM-based metrics, detection-based metrics, and tracking-based metrics, which can better reflect the compositional text-to-video generation quality of seven proposed categories with 700 text prompts. The effectiveness of the proposed metrics is verified by correlation with human evaluations. We also benchmark various text-to-video generative models and conduct in-depth analysis across different models and different compositional categories. We find that compositional text-to-video generation is highly challenging for current models, and we hope that our attempt will shed light on future research in this direction.

Discovering novel materials is critical for technological advancements such as solar cells, batteries, and carbon capture. However, the development of new materials is constrained by a slow and expensive trial-and-error process. To accelerate this pipeline, we introduce PLaID++, a Large Language Model (LLM) fine-tuned for stable and property-guided crystal generation. We fine-tune Qwen-2.5 7B to generate crystal structures using a novel Wyckoff-based text representation. We show that generation can be effectively guided with a reinforcement learning technique based on Direct Preference Optimization (DPO), with sampled structures categorized by their stability, novelty, and space group. By encoding symmetry constraints directly into text and guiding model outputs towards desirable chemical space, PLaID++ generates structures that are thermodynamically stable, unique, and novel at a sim50\% greater rate than prior methods and conditionally generates structures with desired space group properties. Our experiments highlight the effectiveness of iterative DPO, achieving sim115\% and sim50\% improvements in unconditional and space group conditioned generation, respectively, compared to fine-tuning alone. Our work demonstrates the potential of adapting post-training techniques from natural language processing to materials design, paving the way for targeted and efficient discovery of novel materials.

We develop tools for explicitly constructing categories enriched over generating data and that compose via ordinary scalar and matrix arithmetic arithmetic operations. We characterize meaningful size maps, weightings, and magnitude that reveal features analogous to outliers that these same notions have previously been shown to reveal in the context of metric spaces. Throughout, we provide examples of such "outlier detection" relevant to the analysis of computer programs, neural networks, cyber-physical systems, and networks of communications channels.

Autoformalization addresses the scarcity of data for Automated Theorem Proving (ATP) by translating mathematical problems from natural language into formal statements. Efforts in recent work shift from directly prompting large language models to training an end-to-end formalizer model from scratch, achieving remarkable advancements. However, existing formalizer still struggles to consistently generate valid statements that meet syntactic validity and semantic consistency. To address this issue, we propose the Autoformalizer with Tool Feedback (ATF), a novel approach that incorporates syntactic and consistency information as tools into the formalization process. By integrating Lean 4 compilers for syntax corrections and employing a multi-LLMs-as-judge approach for consistency validation, the model is able to adaptively refine generated statements according to the tool feedback, enhancing both syntactic validity and semantic consistency. The training of ATF involves a cold-start phase on synthetic tool-calling data, an expert iteration phase to improve formalization capabilities, and Direct Preference Optimization to alleviate ineffective revisions. Experimental results show that ATF markedly outperforms a range of baseline formalizer models, with its superior performance further validated by human evaluations. Subsequent analysis reveals that ATF demonstrates excellent inference scaling properties. Moreover, we open-source Numina-ATF, a dataset containing 750K synthetic formal statements to facilitate advancements in autoformalization and ATP research.

Automated theorem proving (ATP) benchmarks largely consist of problems formalized in MathLib, so current ATP training and evaluation are heavily biased toward MathLib's definitional framework. However, frontier mathematics is often exploratory and prototype-heavy, relying on bespoke constructions that deviate from standard libraries. In this work, we evaluate the robustness of current ATP systems when applied to a novel definitional framework, specifically examining the performance gap between standard library problems and bespoke mathematical constructions. We introduce TaoBench, an undergraduate-level benchmark derived from Terence Tao's Analysis I, which formalizes analysis by constructing core mathematical concepts from scratch, without relying on standard Mathlib definitions, as well as by mixing from-scratch and MathLib constructions. For fair evaluation, we build an agentic pipeline that automatically extracts a compilable, self-contained local environment for each problem. To isolate the effect of definitional frameworks, we additionally translate every problem into a mathematically equivalent Mathlib formulation, yielding paired TaoBench-Mathlib statements for direct comparison. While state-of-the-art ATP models perform capably within the MathLib framework, performance drops by an average of roughly 26% on the definitionally equivalent Tao formulation. This indicates that the main bottleneck is limited generalization across definitional frameworks rather than task difficulty. TaoBench thus highlights a gap between benchmark performance and applicability, and provides a concrete foundation for developing and testing provers better aligned with research mathematics.

We introduce LICA (Layered Image Composition Annotations), a large-scale dataset of 1,550,244 multi-layer graphic design compositions designed to advance structured understanding and generation of graphic layouts1. In addition to ren- dered PNG images, LICA represents each design as a hierarchical composition of typed components including text, image, vector, and group elements, each paired with rich per-element metadata such as spatial geometry, typographic attributes, opacity, and visibility. The dataset spans 20 design categories and 971,850 unique templates, providing broad coverage of real-world design structures. We further introduce graphic design video as a new and largely unexplored challenge for current vision-language models through 27,261 animated layouts annotated with per-component keyframes and motion parameters. Beyond scale, LICA establishes a new paradigm of research tasks for graphic design, enabling structured investiga- tions into problems such as layer-aware inpainting, structured layout generation, controlled design editing, and temporally-aware generative modeling. By repre- senting design as a system of compositional layers and relationships, the dataset supports research on models that operate directly on design structure rather than pixels alone.

Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for connecting scientific literature to synthesis insights. Starting from natural language text, we apply word embeddings from language models, which are fed into a named entity recognition model, upon which a conditional variational autoencoder is trained to generate syntheses for arbitrary materials. We show the potential of this technique by predicting precursors for two perovskite materials, using only training data published over a decade prior to their first reported syntheses. We demonstrate that the model learns representations of materials corresponding to synthesis-related properties, and that the model's behavior complements existing thermodynamic knowledge. Finally, we apply the model to perform synthesizability screening for proposed novel perovskite compounds.

Mechanistic interpretability research faces a gap between analyzing simple circuits in toy tasks and discovering features in large models. To bridge this gap, we propose text-to-SQL generation as an ideal task to study, as it combines the formal structure of toy tasks with real-world complexity. We introduce TinySQL, a synthetic dataset, progressing from basic to advanced SQL operations, and train models ranging from 33M to 1B parameters to establish a comprehensive testbed for interpretability. We apply multiple complementary interpretability techniques, including Edge Attribution Patching and Sparse Autoencoders, to identify minimal circuits and components supporting SQL generation. We compare circuits for different SQL subskills, evaluating their minimality, reliability, and identifiability. Finally, we conduct a layerwise logit lens analysis to reveal how models compose SQL queries across layers: from intent recognition to schema resolution to structured generation. Our work provides a robust framework for probing and comparing interpretability methods in a structured, progressively complex setting.

The rapid proliferation of LLM agent frameworks has forced developers to choose between vendor lock-in through provider-specific SDKs and complex multi-package ecosystems that obscure control flow and hinder reproducibility. Integrating tool calling across multiple LLM providers remains a core engineering challenge due to fragmented APIs, incompatible message formats, and inconsistent streaming and tool-calling behavior, making it difficult to build portable, reliable agent systems. We introduce Orchestral, a lightweight Python framework that provides a unified, type-safe interface for building LLM agents across major providers while preserving the simplicity required for scientific computing and production deployment. Orchestral defines a single universal representation for messages, tools, and LLM usage that operates seamlessly across providers, eliminating manual format translation and reducing framework-induced complexity. Automatic tool schema generation from Python type hints removes the need for handwritten descriptors while maintaining type safety across provider boundaries. A synchronous execution model with streaming support enables deterministic behavior, straightforward debugging, and real-time interaction without introducing server dependencies. The framework's modular architecture cleanly separates provider integration, tool execution, conversation orchestration, and user-facing interfaces, enabling extensibility without architectural entanglement. Orchestral supports advanced agent capabilities found in larger frameworks, including rich tool calling, context compaction, workspace sandboxing, user approval workflows, sub-agents, memory management, and MCP integration.

Attribute detection is crucial for many computer vision tasks, as it enables systems to describe properties such as color, texture, and material. Current approaches often rely on labor-intensive annotation processes which are inherently limited: objects can be described at an arbitrary level of detail (e.g., color vs. color shades), leading to ambiguities when the annotators are not instructed carefully. Furthermore, they operate within a predefined set of attributes, reducing scalability and adaptability to unforeseen downstream applications. We present Compositional Caching (ComCa), a training-free method for open-vocabulary attribute detection that overcomes these constraints. ComCa requires only the list of target attributes and objects as input, using them to populate an auxiliary cache of images by leveraging web-scale databases and Large Language Models to determine attribute-object compatibility. To account for the compositional nature of attributes, cache images receive soft attribute labels. Those are aggregated at inference time based on the similarity between the input and cache images, refining the predictions of underlying Vision-Language Models (VLMs). Importantly, our approach is model-agnostic, compatible with various VLMs. Experiments on public datasets demonstrate that ComCa significantly outperforms zero-shot and cache-based baselines, competing with recent training-based methods, proving that a carefully designed training-free approach can successfully address open-vocabulary attribute detection.

Computer-aided design (CAD) is the digital construction of 2D and 3D objects, and is central to a wide range of engineering and manufacturing applications like automobile and aviation. Despite its importance, CAD modeling remains largely a time-intensive, manual task. Recent works have attempted to automate this process with small transformer-based models and handcrafted CAD sequence representations. However, there has been little effort to leverage the potential of large language models (LLMs) for sequential CAD design. In this work, we introduce a new large-scale dataset of more than 170k CAD models annotated with high-quality, human-like descriptions generated with our pipeline based on GPT-4.1. Using this dataset, we fine-tune powerful code-LLMs to generate CAD sequences represented in a JSON-based format from natural language descriptions, demonstrating the viability and effectiveness of this approach for text-conditioned CAD generation. Because simple metrics often fail to reflect the quality of generated objects, we introduce geometric and topological metrics based on sphericity, mean curvature, and Euler characteristic to provide richer structural insights. Our experiments and ablation studies on both synthetic and human-annotated data demonstrate that CADmium is able to automate CAD design, drastically speeding up the design of new objects. The dataset, code, and fine-tuned models are available online.

Interior design allows us to be who we are and live how we want - each design is as unique as our distinct personality. However, it is not trivial for non-professionals to express and materialize this since it requires aligning functional and visual expectations with the constraints of physical space; this renders interior design a luxury. To make it more accessible, we present I-Design, a personalized interior designer that allows users to generate and visualize their design goals through natural language communication. I-Design starts with a team of large language model agents that engage in dialogues and logical reasoning with one another, transforming textual user input into feasible scene graph designs with relative object relationships. Subsequently, an effective placement algorithm determines optimal locations for each object within the scene. The final design is then constructed in 3D by retrieving and integrating assets from an existing object database. Additionally, we propose a new evaluation protocol that utilizes a vision-language model and complements the design pipeline. Extensive quantitative and qualitative experiments show that I-Design outperforms existing methods in delivering high-quality 3D design solutions and aligning with abstract concepts that match user input, showcasing its advantages across detailed 3D arrangement and conceptual fidelity.

We introduce CADFS, a data-centric framework that enables large vision-language models to generate complex CAD design histories. Existing generative CAD systems are restricted to sketch-extrude operations due to simplified representations and limited datasets. We address this by introducing a FeatureScript-based representation and constructing a dataset of 450k real-world CAD models spanning 15 modeling operations. We obtain the dataset via a new pipeline that reconstructs clean, executable FeatureScript programs and provides multimodal annotations. Fine-tuning a VLM on this representation yields state-of-the-art results in text-conditioned CAD generation and image-based reconstruction, producing more accurate, diverse, and feature-rich designs than prior frameworks. Ablations show that each individual component of our framework, i.e., the FeatureScript representation, the extended operation set, and representation-aligned textual descriptions, significantly improves performance. Our framework substantially broadens the complexity and realism achievable in generative CAD. The CADFS framework and the new dataset are available at https://voyleg.github.io/cadfs/.

Text-to-SQL, which enables natural language interaction with databases, serves as a pivotal method across diverse industries. With new, more powerful large language models (LLMs) emerging every few months, fine-tuning has become incredibly costly, labor-intensive, and error-prone. As an alternative, zero-shot Text-to-SQL, which leverages the growing knowledge and reasoning capabilities encoded in LLMs without task-specific fine-tuning, presents a promising and more challenging direction. To address this challenge, we propose Alpha-SQL, a novel approach that leverages a Monte Carlo Tree Search (MCTS) framework to iteratively infer SQL construction actions based on partial SQL query states. To enhance the framework's reasoning capabilities, we introduce LLM-as-Action-Model to dynamically generate SQL construction actions during the MCTS process, steering the search toward more promising SQL queries. Moreover, Alpha-SQL employs a self-supervised reward function to evaluate the quality of candidate SQL queries, ensuring more accurate and efficient query generation. Experimental results show that Alpha-SQL achieves 69.7% execution accuracy on the BIRD development set, using a 32B open-source LLM without fine-tuning. Alpha-SQL outperforms the best previous zero-shot approach based on GPT-4o by 2.5% on the BIRD development set.

Addressing the mismatch between natural language descriptions and the corresponding SQL queries is a key challenge for text-to-SQL translation. To bridge this gap, we propose an SQL intermediate representation (IR) called Natural SQL (NatSQL). Specifically, NatSQL preserves the core functionalities of SQL, while it simplifies the queries as follows: (1) dispensing with operators and keywords such as GROUP BY, HAVING, FROM, JOIN ON, which are usually hard to find counterparts for in the text descriptions; (2) removing the need for nested subqueries and set operators; and (3) making schema linking easier by reducing the required number of schema items. On Spider, a challenging text-to-SQL benchmark that contains complex and nested SQL queries, we demonstrate that NatSQL outperforms other IRs, and significantly improves the performance of several previous SOTA models. Furthermore, for existing models that do not support executable SQL generation, NatSQL easily enables them to generate executable SQL queries, and achieves the new state-of-the-art execution accuracy.

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.

The scale and complexity of modern cloud infrastructure have made Infrastructure-as-Code (IaC) essential for managing deployments. While large Language models (LLMs) are increasingly being used to generate IaC configurations from natural language, user requests are often underspecified. Unlike traditional code generation, IaC configurations cannot be executed cheaply or iteratively repaired, forcing the LLMs into an almost one-shot regime. We observe that ambiguity in IaC exhibits a tractable compositional structure: configurations decompose into three hierarchical axes (resources, topology, attributes) where higher-level decisions constrain lower-level ones. We propose a training-free, disagreement-driven framework that generates diverse candidate specifications, identifies structural disagreements across these axes, ranks them by informativeness, and produces targeted clarification questions that progressively narrow the configuration space. We introduce Ambig-IaC, a benchmark of 300 validated IaC tasks with ambiguous prompts, and an evaluation framework based on graph edit distance and embedding similarity. Our method outperforms the strongest baseline, achieving relative improvements of +18.4\% and +25.4\% on structure and attribute evaluations, respectively.

Tabular data, as a crucial form of data representation, exists in diverse formats on the Web. When confronted with complex and irregular tables, manual modification becomes a laborious task. This paper investigates the performance of Large Language Models (LLMs) in the context of table editing tasks. Existing research mainly focuses on regular-shaped tables, wherein instructions are used to generate code in SQL, Python, or Excel Office-script for manipulating the tables. Nevertheless, editing tables with irregular structures, particularly those containing merged cells spanning multiple rows, poses a challenge when using code. To address this, we introduce the WikiTableEdit dataset. Leveraging 26,531 tables from the WikiSQL dataset, we automatically generate natural language instructions for six distinct basic operations and the corresponding outcomes, resulting in over 200,000 instances. Subsequently, we evaluate several representative large language models on the WikiTableEdit dataset to demonstrate the challenge of this task. The dataset will be released to the community to promote related researches.

Real-world information needs require access to structurally diverse knowledge sources, from unstructured text and relational tables to knowledge graphs and property graphs. Existing retrievers, however, operate over one source at a time under a fixed query language, leaving the broader landscape of available knowledge fragmented behind incompatible interfaces. A natural attempt at unification would collapse these sources into a shared space, but this erases the structural affordances (such as schemas, ontologies, compositional operators) that give each source its expressive power. Effective retrieval over diverse knowledge, therefore, requires not homogenization but an overarching layer that meets each source on its own terms. To achieve this, we present OmniRetrieval, a framework that takes any natural-language query, identifies appropriate knowledge sources, and dispatches source-native queries to their native execution engines. Across an extensive benchmark spanning 13 datasets and 309 distinct knowledge bases over text, relational, and graph-structured sources, OmniRetrieval exceeds single-source baselines, demonstrating that it can serve as a general-purpose interface to the heterogeneous sources while preserving the structural distinctions that make each source valuable.

Methods for designing organic materials with desired properties have high potential impact across fields such as medicine, renewable energy, petrochemical engineering, and agriculture. However, using generative modeling to design substances with desired properties is difficult because candidate compounds must satisfy multiple constraints, including synthetic accessibility and other metrics that are intuitive to domain experts but challenging to quantify. We propose C5T5, a novel self-supervised pretraining method that enables transformers to make zero-shot select-and-replace edits, altering organic substances towards desired property values. C5T5 operates on IUPAC names -- a standardized molecular representation that intuitively encodes rich structural information for organic chemists but that has been largely ignored by the ML community. Our technique requires no edited molecule pairs to train and only a rough estimate of molecular properties, and it has the potential to model long-range dependencies and symmetric molecular structures more easily than graph-based methods. C5T5 also provides a powerful interface to domain experts: it grants users fine-grained control over the generative process by selecting and replacing IUPAC name fragments, which enables experts to leverage their intuitions about structure-activity relationships. We demonstrate C5T5's effectiveness on four physical properties relevant for drug discovery, showing that it learns successful and chemically intuitive strategies for altering molecules towards desired property values.

We introduce SPAFormer, an innovative model designed to overcome the combinatorial explosion challenge in the 3D Part Assembly (3D-PA) task. This task requires accurate prediction of each part's poses in sequential steps. As the number of parts increases, the possible assembly combinations increase exponentially, leading to a combinatorial explosion that severely hinders the efficacy of 3D-PA. SPAFormer addresses this problem by leveraging weak constraints from assembly sequences, effectively reducing the solution space's complexity. Since the sequence of parts conveys construction rules similar to sentences structured through words, our model explores both parallel and autoregressive generation. We further strengthen SPAFormer through knowledge enhancement strategies that utilize the attributes of parts and their sequence information, enabling it to capture the inherent assembly pattern and relationships among sequentially ordered parts. We also construct a more challenging benchmark named PartNet-Assembly covering 21 varied categories to more comprehensively validate the effectiveness of SPAFormer. Extensive experiments demonstrate the superior generalization capabilities of SPAFormer, particularly with multi-tasking and in scenarios requiring long-horizon assembly. Code is available at https://github.com/xuboshen/SPAFormer.

We present a system for generating indoor scenes in response to text prompts. The prompts are not limited to a fixed vocabulary of scene descriptions, and the objects in generated scenes are not restricted to a fixed set of object categories -- we call this setting indoor scene generation. Unlike most prior work on indoor scene generation, our system does not require a large training dataset of existing 3D scenes. Instead, it leverages the world knowledge encoded in pre-trained large language models (LLMs) to synthesize programs in a domain-specific layout language that describe objects and spatial relations between them. Executing such a program produces a specification of a constraint satisfaction problem, which the system solves using a gradient-based optimization scheme to produce object positions and orientations. To produce object geometry, the system retrieves 3D meshes from a database. Unlike prior work which uses databases of category-annotated, mutually-aligned meshes, we develop a pipeline using vision-language models (VLMs) to retrieve meshes from massive databases of un-annotated, inconsistently-aligned meshes. Experimental evaluations show that our system outperforms generative models trained on 3D data for traditional, closed-universe scene generation tasks; it also outperforms a recent LLM-based layout generation method on open-universe scene generation.

Real-world text applications often involve composing a wide range of text control operations, such as editing the text w.r.t. an attribute, manipulating keywords and structure, and generating new text of desired properties. Prior work typically learns/finetunes a language model (LM) to perform individual or specific subsets of operations. Recent research has studied combining operations in a plug-and-play manner, often with costly search or optimization in the complex sequence space. This paper proposes a new efficient approach for composable text operations in the compact latent space of text. The low-dimensionality and differentiability of the text latent vector allow us to develop an efficient sampler based on ordinary differential equations (ODEs) given arbitrary plug-in operators (e.g., attribute classifiers). By connecting pretrained LMs (e.g., GPT2) to the latent space through efficient adaption, we then decode the sampled vectors into desired text sequences. The flexible approach permits diverse control operators (sentiment, tense, formality, keywords, etc.) acquired using any relevant data from different domains. Experiments show that composing those operators within our approach manages to generate or edit high-quality text, substantially improving over previous methods in terms of generation quality and efficiency.

Conceptual combination is a cognitive process that merges basic concepts, enabling the creation of complex expressions. During this process, the properties of combination (e.g., the whiteness of a peeled apple) can be inherited from basic concepts, newly emerge, or be canceled. However, previous studies have evaluated a limited set of properties and have not examined the generative process. To address this gap, we introduce the Conceptual Combination with Property Type dataset (CCPT), which consists of 12.3K annotated triplets of noun phrases, properties, and property types. Using CCPT, we establish three types of tasks to evaluate LLMs for conceptual combination thoroughly. Our key findings are threefold: (1) Our automatic metric grading property emergence and cancellation closely corresponds with human judgments. (2) LLMs, including OpenAI's o1, struggle to generate noun phrases which possess given emergent properties. (3) Our proposed method, inspired by cognitive psychology model that explains how relationships between concepts are formed, improves performances in all generative tasks. The dataset and experimental code are available at https://github.com/seokwon99/CCPT.git.

The burgeoning field of generative artificial intelligence has fundamentally reshaped our approach to content creation, with Large Vision-Language Models (LVLMs) standing at its forefront. While current LVLMs have demonstrated impressive capabilities in text-to-image generation, they often falter when confronted with complex textual descriptions demanding precise compositional understanding and visual planning. This limitation particularly impacts the accurate rendering of multiple objects, their attributes, spatial relationships, and specific poses within intricate scenes, as evidenced by benchmarks like LongBench-T2I. To address these challenges, we introduce LVLM-Composer, a novel 10-billion parameter scale LVLM specifically engineered for enhanced compositional image synthesis. Our method incorporates a Hierarchical Semantic Planning Module for structured prompt decomposition and a Fine-Grained Feature Alignment Mechanism for precise visual guidance during generation. We propose a multi-stage training paradigm, featuring Hierarchical Semantic-Visual Grounding Pre-training and Compositional Planning Reinforcement Learning with Self-Correction, to instill robust compositional reasoning. Extensive experiments on the LongBench-T2I benchmark, utilizing automatic evaluation by Gemini-2.0-Flash and InternVL3-78B, demonstrate LVLM-Composer's superior performance across critical compositional dimensions including object accuracy, composition fidelity, and pose accuracy, significantly outperforming state-of-the-art baselines. An in-depth ablation study further validates the indispensable contribution of our proposed modules, while human evaluations confirm the perceptual superiority of our generated images. LVLM-Composer represents a significant step towards truly controllable and compositionally accurate open-ended text-to-image generation.

Modern front-end (FE) development, especially when leveraging the unique features of frameworks like React and Vue, presents distinctive challenges. These include managing modular architectures, ensuring synchronization between data and visual outputs for declarative rendering, and adapting reusable components to various scenarios. Such complexities make it particularly difficult for state-of-the-art large vision-language models (VLMs) to generate accurate and functional code directly from design images. To address these challenges, we propose a reflective agentic workflow that synthesizes high-quality image-text data to capture the diverse characteristics of FE development. This workflow automates the extraction of self-containedA \textbf{self-contained code snippet is one that encapsulates all necessary logic, styling, and dependencies, ensuring it functions independently without requiring external imports or context.} code snippets from real-world projects, renders the corresponding visual outputs, and generates detailed descriptions that link design elements to functional code. To further expand the scope and utility of the synthesis, we introduce three data synthesis strategies: Evolution-based synthesis, which enables scalable and diverse dataset expansion; Waterfall-Model-based synthesis, which generates logically coherent code derived from system requirements; and Additive Development synthesis, which iteratively increases the complexity of human-authored components. We build a large vision-language model, Flame, trained on the synthesized datasets and demonstrate its effectiveness in generating React code via the pass@k metric. Our results suggest that a code VLM trained to interpret images before code generation may achieve better performance.

Data mixing -- determining the ratios of data from different domains -- is a first-order concern for training language models (LMs). While existing mixing methods show promise, they fall short when applied during real-world LM development. We present Olmix, a framework that addresses two such challenges. First, the configuration space for developing a mixing method is not well understood -- design choices across existing methods lack justification or consensus and overlook practical issues like data constraints. We conduct a comprehensive empirical study of this space, identifying which design choices lead to a strong mixing method. Second, in practice, the domain set evolves throughout LM development as datasets are added, removed, partitioned, and revised -- a problem setting largely unaddressed by existing works, which assume fixed domains. We study how to efficiently recompute the mixture after the domain set is updated, leveraging information from past mixtures. We introduce mixture reuse, a mechanism that reuses existing ratios and recomputes ratios only for domains affected by the update. Over a sequence of five domain-set updates mirroring real-world LM development, mixture reuse matches the performance of fully recomputing the mix after each update with 74% less compute and improves over training without mixing by 11.6% on downstream tasks.

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.

Text-to-SQL is a key natural language processing task that maps natural language questions to SQL queries, enabling intuitive interaction with web-based databases. Although current methods perform well on benchmarks like BIRD and Spider, they struggle with complex reasoning, domain knowledge, and hypothetical queries, and remain costly in enterprise deployment. To address these issues, we propose a framework named IESR(Information Enhanced Structured Reasoning) for lightweight large language models: (i) leverages LLMs for key information understanding and schema linking, and decoupling mathematical computation and SQL generation, (ii) integrates a multi-path reasoning mechanism based on Monte Carlo Tree Search (MCTS) with majority voting, and (iii) introduces a trajectory consistency verification module with a discriminator model to ensure accuracy and consistency. Experimental results demonstrate that IESR achieves state-of-the-art performance on the complex reasoning benchmark LogicCat (24.28 EX) and the Archer dataset (37.28 EX) using only compact lightweight models without fine-tuning. Furthermore, our analysis reveals that current coder models exhibit notable biases and deficiencies in physical knowledge, mathematical computation, and common-sense reasoning, highlighting important directions for future research. We released code at https://github.com/Ffunkytao/IESR-SLM.

Data scientists today search large data lakes to discover and integrate datasets. In order to bring together disparate data sources, dataset discovery methods rely on some form of schema matching: the process of establishing correspondences between datasets. Traditionally, schema matching has been used to find matching pairs of columns between a source and a target schema. However, the use of schema matching in dataset discovery methods differs from its original use. Nowadays schema matching serves as a building block for indicating and ranking inter-dataset relationships. Surprisingly, although a discovery method's success relies highly on the quality of the underlying matching algorithms, the latest discovery methods employ existing schema matching algorithms in an ad-hoc fashion due to the lack of openly-available datasets with ground truth, reference method implementations, and evaluation metrics. In this paper, we aim to rectify the problem of evaluating the effectiveness and efficiency of schema matching methods for the specific needs of dataset discovery. To this end, we propose Valentine, an extensible open-source experiment suite to execute and organize large-scale automated matching experiments on tabular data. Valentine includes implementations of seminal schema matching methods that we either implemented from scratch (due to absence of open source code) or imported from open repositories. The contributions of Valentine are: i) the definition of four schema matching scenarios as encountered in dataset discovery methods, ii) a principled dataset fabrication process tailored to the scope of dataset discovery methods and iii) the most comprehensive evaluation of schema matching techniques to date, offering insight on the strengths and weaknesses of existing techniques, that can serve as a guide for employing schema matching in future dataset discovery methods.

The advent of large Vision-Language Models (VLMs) has significantly advanced multimodal understanding, enabling more sophisticated and accurate integration of visual and textual information across various tasks, including image and video captioning, visual question answering, and cross-modal retrieval. Despite VLMs' superior capabilities, researchers lack a comprehensive understanding of their compositionality -- the ability to understand and produce novel combinations of known visual and textual components. Prior benchmarks provide only a relatively rough compositionality evaluation from the perspectives of objects, relations, and attributes while neglecting deeper reasoning about object interactions, counting, and complex compositions. However, compositionality is a critical ability that facilitates coherent reasoning and understanding across modalities for VLMs. To address this limitation, we propose MMCOMPOSITION, a novel human-annotated benchmark for comprehensively and accurately evaluating VLMs' compositionality. Our proposed benchmark serves as a complement to these earlier works. With MMCOMPOSITION, we can quantify and explore the compositionality of the mainstream VLMs. Surprisingly, we find GPT-4o's compositionality inferior to the best open-source model, and we analyze the underlying reasons. Our experimental analysis reveals the limitations of VLMs in fine-grained compositional perception and reasoning, and points to areas for improvement in VLM design and training. Resources available at: https://hanghuacs.github.io/MMComposition/