Daily Papers

Large language models (LLMs) have demonstrated remarkable proficiency in in-context learning (ICL), where models adapt to new tasks through example-based prompts without requiring parameter updates. However, understanding how tasks are internally encoded and generalized remains a challenge. To address some of the empirical and technical gaps in the literature, we introduce an automated formulation for encoding task information in ICL prompts as a function of attention heads within the transformer architecture. This approach computes a single task vector as a weighted sum of attention heads, with the weights optimized causally via gradient descent. Our findings show that existing methods fail to generalize effectively to modalities beyond text. In response, we also design a benchmark to evaluate whether a task vector can preserve task fidelity in functional regression tasks. The proposed method successfully extracts task-specific information from in-context demonstrations and excels in both text and regression tasks, demonstrating its generalizability across modalities. Moreover, ablation studies show that our method's effectiveness stems from aligning the distribution of the last hidden state with that of an optimally performing in-context-learned model.

Large Language Models (LLMs) have demonstrated impressive progress in optimization modeling, fostering a rapid expansion of new methodologies and evaluation benchmarks. However, the boundaries of their capabilities in automated formulation and problem solving remain poorly understood, particularly when extending to complex, real-world tasks. To bridge this gap, we propose OPT-ENGINE, an extensible benchmark framework designed to evaluate LLMs on optimization modeling with controllable and scalable difficulty levels. OPT-ENGINE spans 10 canonical tasks across operations research, with five Linear Programming and five Mixed-Integer Programming. Utilizing OPT-ENGINE, we conduct an extensive study of LLMs' reasoning capabilities, addressing two critical questions: 1.) Do LLMs' performance remain robust when generalizing to out-of-distribution optimization tasks that scale in complexity beyond current benchmark levels? and 2.) At what stage, from problem interpretation to solution generation, do current LLMs encounter the most significant bottlenecks? Our empirical results yield two key insights: first, tool-integrated reasoning with external solvers exhibits significantly higher robustness as task complexity escalates, while pure-text reasoning reaches a ceiling; second, the automated formulation of constraints constitutes the primary performance bottleneck. These findings provide actionable guidance for developing next-generation LLMs for advanced optimization. Our code is publicly available at blue{https://github.com/Cardinal-Operations/OPTEngine}.

Humans naturally adapt to diverse environments by learning underlying rules across worlds with different dynamics, observations, and reward structures. In contrast, existing agents typically demonstrate improvements via self-evolving within a single domain, implicitly assuming a fixed environment distribution. Cross-environment learning has remained largely unmeasured: there is no standard collection of controllable, heterogeneous environments, nor a unified way to represent how agents learn. We address these gaps in two steps. First, we propose AutoEnv, an automated framework that treats environments as factorizable distributions over transitions, observations, and rewards, enabling low-cost (4.12 USD on average) generation of heterogeneous worlds. Using AutoEnv, we construct AutoEnv-36, a dataset of 36 environments with 358 validated levels, on which seven language models achieve 12-49% normalized reward, demonstrating the challenge of AutoEnv-36. Second, we formalize agent learning as a component-centric process driven by three stages of Selection, Optimization, and Evaluation applied to an improvable agent component. Using this formulation, we design eight learning methods and evaluate them on AutoEnv-36. Empirically, the gain of any single learning method quickly decrease as the number of environments increases, revealing that fixed learning methods do not scale across heterogeneous environments. Environment-adaptive selection of learning methods substantially improves performance but exhibits diminishing returns as the method space expands. These results highlight both the necessity and the current limitations of agent learning for scalable cross-environment generalization, and position AutoEnv and AutoEnv-36 as a testbed for studying cross-environment agent learning. The code is avaiable at https://github.com/FoundationAgents/AutoEnv.

Deep learning (DL) has proven to be a highly effective approach for developing models in diverse contexts, including visual perception, speech recognition, and machine translation. However, the end-to-end process for applying DL is not trivial. It requires grappling with problem formulation and context understanding, data engineering, model development, deployment, continuous monitoring and maintenance, and so on. Moreover, each of these steps typically relies heavily on humans, in terms of both knowledge and interactions, which impedes the further advancement and democratization of DL. Consequently, in response to these issues, a new field has emerged over the last few years: automated deep learning (AutoDL). This endeavor seeks to minimize the need for human involvement and is best known for its achievements in neural architecture search (NAS), a topic that has been the focus of several surveys. That stated, NAS is not the be-all and end-all of AutoDL. Accordingly, this review adopts an overarching perspective, examining research efforts into automation across the entirety of an archetypal DL workflow. In so doing, this work also proposes a comprehensive set of ten criteria by which to assess existing work in both individual publications and broader research areas. These criteria are: novelty, solution quality, efficiency, stability, interpretability, reproducibility, engineering quality, scalability, generalizability, and eco-friendliness. Thus, ultimately, this review provides an evaluative overview of AutoDL in the early 2020s, identifying where future opportunities for progress may exist.

Neural networks are sensitive to hyper-parameter and architecture choices. Automated Machine Learning (AutoML) is a promising paradigm for automating these choices. Current ML software libraries, however, are quite limited in handling the dynamic interactions among the components of AutoML. For example, efficientNAS algorithms, such as ENAS and DARTS, typically require an implementation coupling between the search space and search algorithm, the two key components in AutoML. Furthermore, implementing a complex search flow, such as searching architectures within a loop of searching hardware configurations, is difficult. To summarize, changing the search space, search algorithm, or search flow in current ML libraries usually requires a significant change in the program logic. In this paper, we introduce a new way of programming AutoML based on symbolic programming. Under this paradigm, ML programs are mutable, thus can be manipulated easily by another program. As a result, AutoML can be reformulated as an automated process of symbolic manipulation. With this formulation, we decouple the triangle of the search algorithm, the search space and the child program. This decoupling makes it easy to change the search space and search algorithm (without and with weight sharing), as well as to add search capabilities to existing code and implement complex search flows. We then introduce PyGlove, a new Python library that implements this paradigm. Through case studies on ImageNet and NAS-Bench-101, we show that with PyGlove users can easily convert a static program into a search space, quickly iterate on the search spaces and search algorithms, and craft complex search flows to achieve better results.

We introduce a new method for extracting structured threat behaviors from threat intelligence text. Our method is based on a multi-stage ranking architecture that allows jointly optimizing for efficiency and effectiveness. Therefore, we believe this problem formulation better aligns with the real-world nature of the task considering the large number of adversary techniques and the extensive body of threat intelligence created by security analysts. Our findings show that the proposed system yields state-of-the-art performance results for this task. Results show that our method has a top-3 recall performance of 81\% in identifying the relevant technique among 193 top-level techniques. Our tests also demonstrate that our system performs significantly better (+40\%) than the widely used large language models when tested under a zero-shot setting.

Pretrained contextualized embeddings are powerful word representations for structured prediction tasks. Recent work found that better word representations can be obtained by concatenating different types of embeddings. However, the selection of embeddings to form the best concatenated representation usually varies depending on the task and the collection of candidate embeddings, and the ever-increasing number of embedding types makes it a more difficult problem. In this paper, we propose Automated Concatenation of Embeddings (ACE) to automate the process of finding better concatenations of embeddings for structured prediction tasks, based on a formulation inspired by recent progress on neural architecture search. Specifically, a controller alternately samples a concatenation of embeddings, according to its current belief of the effectiveness of individual embedding types in consideration for a task, and updates the belief based on a reward. We follow strategies in reinforcement learning to optimize the parameters of the controller and compute the reward based on the accuracy of a task model, which is fed with the sampled concatenation as input and trained on a task dataset. Empirical results on 6 tasks and 21 datasets show that our approach outperforms strong baselines and achieves state-of-the-art performance with fine-tuned embeddings in all the evaluations.

In this paper, we propose a new mixed-integer linear programming (MILP) model ontology and a novel constraint typology of MILP formulations. MILP is a commonly used mathematical programming technique for modelling and solving real-life scheduling, routing, planning, resource allocation, and timetabling optimization problems providing optimized business solutions for industry sectors such as manufacturing, agriculture, defence, healthcare, medicine, energy, finance, and transportation. Despite the numerous real-life Combinatorial Optimization Problems found and solved and millions yet to be discovered and formulated, the number of types of constraints (the building blocks of a MILP) is relatively small. In the search for a suitable machine-readable knowledge representation structure for MILPs, we propose an optimization modelling tree built based upon an MILP model ontology that can be used as a guide for automated systems to elicit an MILP model from end-users on their combinatorial business optimization problems. Our ultimate aim is to develop a machine-readable knowledge representation for MILP that allows us to map an end-user's natural language description of the business optimization problem to an MILP formal specification as a first step towards automated mathematical modelling.

Evaluating the performance of various model architectures, such as transformers, large language models (LLMs), and other NLP systems, requires comprehensive benchmarks that measure performance across multiple dimensions. Among these, the evaluation of natural language understanding (NLU) is particularly critical as it serves as a fundamental criterion for assessing model capabilities. Thus, it is essential to establish benchmarks that enable thorough evaluation and analysis of NLU abilities from diverse perspectives. While the GLUE benchmark has set a standard for evaluating English NLU, similar benchmarks have been developed for other languages, such as CLUE for Chinese, FLUE for French, and JGLUE for Japanese. However, no comparable benchmark currently exists for the Turkish language. To address this gap, we introduce TrGLUE, a comprehensive benchmark encompassing a variety of NLU tasks for Turkish. In addition, we present SentiTurca, a specialized benchmark for sentiment analysis. To support researchers, we also provide fine-tuning and evaluation code for transformer-based models, facilitating the effective use of these benchmarks. TrGLUE comprises Turkish-native corpora curated to mirror the domains and task formulations of GLUE-style evaluations, with labels obtained through a semi-automated pipeline that combines strong LLM-based annotation, cross-model agreement checks, and subsequent human validation. This design prioritizes linguistic naturalness, minimizes direct translation artifacts, and yields a scalable, reproducible workflow. With TrGLUE, our goal is to establish a robust evaluation framework for Turkish NLU, empower researchers with valuable resources, and provide insights into generating high-quality semi-automated datasets.

The rapid advancement of large language models (LLMs) has enabled the ability to effectively analyze and generate code nearly instantaneously, resulting in their widespread adoption in software development. Following this advancement, researchers and companies have begun integrating LLMs across the hardware design and verification process. However, these highly potent LLMs can also induce new attack scenarios upon security vulnerabilities across the hardware development process. One such attack vector that has not been explored is intellectual property (IP) piracy. Given that this attack can manifest as rewriting hardware designs to evade piracy detection, it is essential to thoroughly evaluate LLM capabilities in performing this task and assess the mitigation abilities of current IP piracy detection tools. Therefore, in this work, we propose LLMPirate, the first LLM-based technique able to generate pirated variations of circuit designs that successfully evade detection across multiple state-of-the-art piracy detection tools. We devise three solutions to overcome challenges related to integration of LLMs for hardware circuit designs, scalability to large circuits, and effectiveness, resulting in an end-to-end automated, efficient, and practical formulation. We perform an extensive experimental evaluation of LLMPirate using eight LLMs of varying sizes and capabilities and assess their performance in pirating various circuit designs against four state-of-the-art, widely-used piracy detection tools. Our experiments demonstrate that LLMPirate is able to consistently evade detection on 100% of tested circuits across every detection tool. Additionally, we showcase the ramifications of LLMPirate using case studies on IBEX and MOR1KX processors and a GPS module, that we successfully pirate. We envision that our work motivates and fosters the development of better IP piracy detection tools.

Recent advancements in AI agents have demonstrated their growing potential to drive and support scientific discovery. In this work, we introduce MLR-Bench, a comprehensive benchmark for evaluating AI agents on open-ended machine learning research. MLR-Bench includes three key components: (1) 201 research tasks sourced from NeurIPS, ICLR, and ICML workshops covering diverse ML topics; (2) MLR-Judge, an automated evaluation framework combining LLM-based reviewers with carefully designed review rubrics to assess research quality; and (3) MLR-Agent, a modular agent scaffold capable of completing research tasks through four stages: idea generation, proposal formulation, experimentation, and paper writing. Our framework supports both stepwise assessment across these distinct research stages, and end-to-end evaluation of the final research paper. We then use MLR-Bench to evaluate six frontier LLMs and an advanced coding agent, finding that while LLMs are effective at generating coherent ideas and well-structured papers, current coding agents frequently (e.g., in 80% of the cases) produce fabricated or invalidated experimental results--posing a major barrier to scientific reliability. We validate MLR-Judge through human evaluation, showing high agreement with expert reviewers, supporting its potential as a scalable tool for research evaluation. We open-source MLR-Bench to help the community benchmark, diagnose, and improve AI research agents toward trustworthy and transparent scientific discovery.

Large Language Models (LLM) based agents have shown promise in autonomously completing tasks across various domains, e.g., robotics, games, and web navigation. However, these agents typically require elaborate design and expert prompts to solve tasks in specific domains, which limits their adaptability. We introduce AutoManual, a framework enabling LLM agents to autonomously build their understanding through interaction and adapt to new environments. AutoManual categorizes environmental knowledge into diverse rules and optimizes them in an online fashion by two agents: 1) The Planner codes actionable plans based on current rules for interacting with the environment. 2) The Builder updates the rules through a well-structured rule system that facilitates online rule management and essential detail retention. To mitigate hallucinations in managing rules, we introduce a *case-conditioned prompting* strategy for the Builder. Finally, the Formulator agent compiles these rules into a comprehensive manual. The self-generated manual can not only improve the adaptability but also guide the planning of smaller LLMs while being human-readable. Given only one simple demonstration, AutoManual significantly improves task success rates, achieving 97.4\% with GPT-4-turbo and 86.2\% with GPT-3.5-turbo on ALFWorld benchmark tasks. The code is available at https://github.com/minghchen/automanual.

Autoformalization is the task of translating natural language materials into machine-verifiable formalisations. Progress in autoformalization research is hindered by the lack of a sizeable dataset consisting of informal-formal pairs expressing the same essence. Existing methods tend to circumvent this challenge by manually curating small corpora or using few-shot learning with large language models. But these methods suffer from data scarcity and formal language acquisition difficulty. In this work, we create MMA, a large, flexible, multilingual, and multi-domain dataset of informal-formal pairs, by using a language model to translate in the reverse direction, that is, from formal mathematical statements into corresponding informal ones. Experiments show that language models fine-tuned on MMA produce 16-18% of statements acceptable with minimal corrections on the miniF2F and ProofNet benchmarks, up from 0% with the base model. We demonstrate that fine-tuning on multilingual formal data results in more capable autoformalization models even when deployed on monolingual tasks.

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up complex tools, which is in general time-consuming and requires a large amount of human effort. Therefore, recent works have started exploiting large language models (LLM) to lessen such burden and increase the usability of AutoML frameworks via a natural language interface, allowing non-expert users to build their data-driven solutions. These methods, however, are usually designed only for a particular process in the AI development pipeline and do not efficiently use the inherent capacity of the LLMs. This paper proposes AutoML-Agent, a novel multi-agent framework tailored for full-pipeline AutoML, i.e., from data retrieval to model deployment. AutoML-Agent takes user's task descriptions, facilitates collaboration between specialized LLM agents, and delivers deployment-ready models. Unlike existing work, instead of devising a single plan, we introduce a retrieval-augmented planning strategy to enhance exploration to search for more optimal plans. We also decompose each plan into sub-tasks (e.g., data preprocessing and neural network design) each of which is solved by a specialized agent we build via prompting executing in parallel, making the search process more efficient. Moreover, we propose a multi-stage verification to verify executed results and guide the code generation LLM in implementing successful solutions. Extensive experiments on seven downstream tasks using fourteen datasets show that AutoML-Agent achieves a higher success rate in automating the full AutoML process, yielding systems with good performance throughout the diverse domains.

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application of optimization-based decision making. To automate problem formulation and solving, leveraging large language models (LLMs) has emerged as a potential way. However, this kind of approach suffers from the issue of optimization generalization. Namely, the accuracy of most current LLM-based methods and the generality of optimization problem types that they can model are still limited. In this paper, we propose a unified learning-based framework called LLMOPT to boost optimization generalization. Starting from the natural language descriptions of optimization problems and a pre-trained LLM, LLMOPT constructs the introduced five-element formulation as a universal model for learning to define diverse optimization problem types. Then, LLMOPT employs the multi-instruction tuning to enhance both problem formalization and solver code generation accuracy and generality. After that, to prevent hallucinations in LLMs, such as sacrificing solving accuracy to avoid execution errors, the model alignment and self-correction mechanism are adopted in LLMOPT. We evaluate the optimization generalization ability of LLMOPT and compared methods across six real-world datasets covering roughly 20 fields such as health, environment, energy and manufacturing, etc. Extensive experiment results show that LLMOPT is able to model various optimization problem types such as linear/nonlinear programming, mixed integer programming, and combinatorial optimization, and achieves a notable 11.08% average solving accuracy improvement compared with the state-of-the-art methods. The code is available at https://github.com/caigaojiang/LLMOPT.

Numerous real-world decision-making problems can be formulated and solved using Mixed-Integer Linear Programming (MILP) models. However, the transformation of these problems into MILP models heavily relies on expertise in operations research and mathematical optimization, which restricts non-experts' accessibility to MILP. To address this challenge, we propose a framework for automatically formulating MILP models from unstructured natural language descriptions of decision problems, which integrates Large Language Models (LLMs) and mathematical modeling techniques. This framework consists of three phases: i) identification of decision variables, ii) classification of objective and constraints, and iii) finally, generation of MILP models. In this study, we present a constraint classification scheme and a set of constraint templates that can guide the LLMs in synthesizing a complete MILP model. After fine-tuning LLMs, our approach can identify and synthesize logic constraints in addition to classic demand and resource constraints. The logic constraints have not been studied in existing work. To evaluate the performance of the proposed framework, we extend the NL4Opt dataset with more problem descriptions and constraint types, and with the new dataset, we compare our framework with one-step model generation methods offered by LLMs. The experimental results reveal that with respect to the accuracies of generating the correct model, objective, and constraints, our method which integrates constraint classification and templates with LLMs significantly outperforms the others. The prototype system that we developed has a great potential to capture more constraints for more complex MILPs. It opens up opportunities for developing training tools for operations research practitioners and has the potential to be a powerful tool for automatic decision problem modeling and solving in practice.

This paper introduces AutoSurvey, a speedy and well-organized methodology for automating the creation of comprehensive literature surveys in rapidly evolving fields like artificial intelligence. Traditional survey paper creation faces challenges due to the vast volume and complexity of information, prompting the need for efficient survey methods. While large language models (LLMs) offer promise in automating this process, challenges such as context window limitations, parametric knowledge constraints, and the lack of evaluation benchmarks remain. AutoSurvey addresses these challenges through a systematic approach that involves initial retrieval and outline generation, subsection drafting by specialized LLMs, integration and refinement, and rigorous evaluation and iteration. Our contributions include a comprehensive solution to the survey problem, a reliable evaluation method, and experimental validation demonstrating AutoSurvey's effectiveness.We open our resources at https://github.com/AutoSurveys/AutoSurvey.

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.

Autoformalization, which translates natural language mathematics into machine-verifiable formal statements, is critical for using formal mathematical reasoning to solve math problems stated in natural language. While Large Language Models can generate syntactically correct formal statements, they often fail to preserve the original problem's semantic intent. This limitation arises from the LLM approaches' treating autoformalization as a simplistic translation task which lacks mechanisms for self-reflection and iterative refinement that human experts naturally employ. To address these issues, we propose ReForm, a Reflective Autoformalization method that tightly integrates semantic consistency evaluation into the autoformalization process. This enables the model to iteratively generate formal statements, assess its semantic fidelity, and self-correct identified errors through progressive refinement. To effectively train this reflective model, we introduce Prospective Bounded Sequence Optimization (PBSO), which employs different rewards at different sequence positions to ensure that the model develops both accurate autoformalization and correct semantic validations, preventing superficial critiques that would undermine the purpose of reflection. Extensive experiments across four autoformalization benchmarks demonstrate that ReForm achieves an average improvement of 17.2 percentage points over the strongest baselines. To further ensure evaluation reliability, we introduce ConsistencyCheck, a benchmark of 859 expert-annotated items that not only validates LLMs as judges but also reveals that autoformalization is inherently difficult: even human experts produce semantic errors in up to 38.5% of cases.

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.

Autoformalization aims to translate natural-language mathematical statements into a formal language. While LLMs have accelerated progress in this area, existing methods still suffer from low accuracy. We identify two key abilities for effective autoformalization: comprehensive mastery of formal-language domain knowledge, and reasoning capability of natural language problem understanding and informal-formal alignment. Without the former, a model cannot identify the correct formal objects; without the latter, it struggles to interpret real-world contexts and map them precisely into formal expressions. To address these gaps, we introduce ThinkingF, a data synthesis and training pipeline that improves both abilities. First, we construct two datasets: one by distilling and selecting large-scale examples rich in formal knowledge, and another by generating informal-to-formal reasoning trajectories guided by expert-designed templates. We then apply SFT and RLVR with these datasets to further fuse and refine the two abilities. The resulting 7B and 32B models exhibit both comprehensive formal knowledge and strong informal-to-formal reasoning. Notably, StepFun-Formalizer-32B achieves SOTA BEq@1 scores of 40.5% on FormalMATH-Lite and 26.7% on ProverBench, surpassing all prior general-purpose and specialized models.

Experts in various fields routinely perform methodical writing tasks to plan, organize, and report their work. From a clinician writing a differential diagnosis for a patient, to a teacher writing a lesson plan for students, these tasks are pervasive, requiring to methodically generate structured long-form output for a given input. We develop a typology of methodical tasks structured in the form of a task objective, procedure, input, and output, and introduce DoLoMiTes, a novel benchmark with specifications for 519 such tasks elicited from hundreds of experts from across 25 fields. Our benchmark further contains specific instantiations of methodical tasks with concrete input and output examples (1,857 in total) which we obtain by collecting expert revisions of up to 10 model-generated examples of each task. We use these examples to evaluate contemporary language models highlighting that automating methodical tasks is a challenging long-form generation problem, as it requires performing complex inferences, while drawing upon the given context as well as domain knowledge.

This research presents and compares multiple approaches to automate the generation of literature reviews using several Natural Language Processing (NLP) techniques and retrieval-augmented generation (RAG) with a Large Language Model (LLM). The ever-increasing number of research articles provides a huge challenge for manual literature review. It has resulted in an increased demand for automation. Developing a system capable of automatically generating the literature reviews from only the PDF files as input is the primary objective of this research work. The effectiveness of several Natural Language Processing (NLP) strategies, such as the frequency-based method (spaCy), the transformer model (Simple T5), and retrieval-augmented generation (RAG) with Large Language Model (GPT-3.5-turbo), is evaluated to meet the primary objective. The SciTLDR dataset is chosen for this research experiment and three distinct techniques are utilized to implement three different systems for auto-generating the literature reviews. The ROUGE scores are used for the evaluation of all three systems. Based on the evaluation, the Large Language Model GPT-3.5-turbo achieved the highest ROUGE-1 score, 0.364. The transformer model comes in second place and spaCy is at the last position. Finally, a graphical user interface is created for the best system based on the large language model.

Formal mathematical reasoning remains a critical challenge for artificial intelligence, hindered by limitations of existing benchmarks in scope and scale. To address this, we present FormalMATH, a large-scale Lean4 benchmark comprising 5,560 formally verified problems spanning from high-school Olympiad challenges to undergraduate-level theorems across diverse domains (e.g., algebra, applied mathematics, calculus, number theory, and discrete mathematics). To mitigate the inefficiency of manual formalization, we introduce a novel human-in-the-loop autoformalization pipeline that integrates: (1) specialized large language models (LLMs) for statement autoformalization, (2) multi-LLM semantic verification, and (3) negation-based disproof filtering strategies using off-the-shelf LLM-based provers. This approach reduces expert annotation costs by retaining 72.09% of statements before manual verification while ensuring fidelity to the original natural-language problems. Our evaluation of state-of-the-art LLM-based theorem provers reveals significant limitations: even the strongest models achieve only 16.46% success rate under practical sampling budgets, exhibiting pronounced domain bias (e.g., excelling in algebra but failing in calculus) and over-reliance on simplified automation tactics. Notably, we identify a counterintuitive inverse relationship between natural-language solution guidance and proof success in chain-of-thought reasoning scenarios, suggesting that human-written informal reasoning introduces noise rather than clarity in the formal reasoning settings. We believe that FormalMATH provides a robust benchmark for benchmarking formal mathematical reasoning.

Large language models (LLMs) can perform a wide range of tasks by following natural language instructions, without the necessity of task-specific fine-tuning. Unfortunately, the performance of LLMs is greatly influenced by the quality of these instructions, and manually writing effective instructions for each task is a laborious and subjective process. In this paper, we introduce Auto-Instruct, a novel method to automatically improve the quality of instructions provided to LLMs. Our method leverages the inherent generative ability of LLMs to produce diverse candidate instructions for a given task, and then ranks them using a scoring model trained on a variety of 575 existing NLP tasks. In experiments on 118 out-of-domain tasks, Auto-Instruct surpasses both human-written instructions and existing baselines of LLM-generated instructions. Furthermore, our method exhibits notable generalizability even with other LLMs that are not incorporated into its training process.

With most technical fields, there exists a delay between fundamental academic research and practical industrial uptake. Whilst some sciences have robust and well-established processes for commercialisation, such as the pharmaceutical practice of regimented drug trials, other fields face transitory periods in which fundamental academic advancements diffuse gradually into the space of commerce and industry. For the still relatively young field of Automated/Autonomous Machine Learning (AutoML/AutonoML), that transitory period is under way, spurred on by a burgeoning interest from broader society. Yet, to date, little research has been undertaken to assess the current state of this dissemination and its uptake. Thus, this review makes two primary contributions to knowledge around this topic. Firstly, it provides the most up-to-date and comprehensive survey of existing AutoML tools, both open-source and commercial. Secondly, it motivates and outlines a framework for assessing whether an AutoML solution designed for real-world application is 'performant'; this framework extends beyond the limitations of typical academic criteria, considering a variety of stakeholder needs and the human-computer interactions required to service them. Thus, additionally supported by an extensive assessment and comparison of academic and commercial case-studies, this review evaluates mainstream engagement with AutoML in the early 2020s, identifying obstacles and opportunities for accelerating future uptake.

Research is a fundamental process driving the advancement of human civilization, yet it demands substantial time and effort from researchers. In recent years, the rapid development of artificial intelligence (AI) technologies has inspired researchers to explore how AI can accelerate and enhance research. To monitor relevant advancements, this paper presents a systematic review of the progress in this domain. Specifically, we organize the relevant studies into three main categories: hypothesis formulation, hypothesis validation, and manuscript publication. Hypothesis formulation involves knowledge synthesis and hypothesis generation. Hypothesis validation includes the verification of scientific claims, theorem proving, and experiment validation. Manuscript publication encompasses manuscript writing and the peer review process. Furthermore, we identify and discuss the current challenges faced in these areas, as well as potential future directions for research. Finally, we also offer a comprehensive overview of existing benchmarks and tools across various domains that support the integration of AI into the research process. We hope this paper serves as an introduction for beginners and fosters future research. Resources have been made publicly available at https://github.com/zkzhou126/AI-for-Research.

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.

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.

Automated analysis for engineering structures offers considerable potential for boosting efficiency by minimizing repetitive tasks. Although AI-driven methods are increasingly common, no systematic framework yet leverages Large Language Models (LLMs) for automatic structural analysis. To address this gap, we propose a novel framework that integrates LLMs with structural analysis software. LLMs serve as the core engine: they parse structural descriptions from text and translate them into executable Python scripts. Moreover, the framework integrates the generative capabilities of LLMs with code-based finite element (FE) tools like OpenSeesPy. It employs domain-specific prompt design and in-context learning strategies to enhance the LLM's problem-solving capabilities and generative stability, enabling fully automated structural analysis from descriptive text to model outputs. In our experiments, we introduce a well-curated small-scale benchmark dataset of 20 structural analysis word problems (SAWPs) with ground-truth solutions and evaluate the performance of different LLMs within our framework in solving these SAWPs. The role of system instructions, crafted by structural engineers, is also investigated to understand their impact on LLM-driven structural analysis. Additionally, the generative stability of our framework is examined. Through multiple validation experiments on the benchmark, our results demonstrate that the proposed framework can substantially increase the level of automation in solving SAWPs compared to traditional methods. Quantitatively, the framework, built on GPT-4o, achieved 100% accuracy, surpassing GPT-4 (85%), Gemini 1.5 Pro (80%), and Llama-3.3 (30%) on the test examples. Furthermore, integrating domain-specific instructions enhanced performance by 30% on problems with asymmetrical structural configurations.

Advances in AI-assisted research have introduced powerful tools for literature retrieval, hypothesis generation, experimentation, and manuscript preparation. However, systems remain fragmented and lack human-centred workflows. To address these gaps, we introduce AIssistant, an agentic, open-source Human-AI collaborative framework designed to simplify the end-to-end creation of scientific workflows. Since our development is still in an early stage, we present here the first experiments with AIssistant for perspective and review research papers in machine learning. Our system integrates modular tools and agents for literature synthesis, section-wise experimentation, citation management, and automatic LaTeX paper text generation, while maintaining human oversight at every stage to ensure accuracy, coherence, and scholarly rigour. We conducted a comprehensive evaluation across three layers: (1) Independent Human Review, following NeurIPS double-blind standards; (2) Automated LLM Review, using GPT-5 as a scalable human review proxy; and (3) Program Chair Oversight, where the chair monitors the entire review process and makes final validation and acceptance decisions. The results demonstrate that AIssistant improves drafting efficiency and thematic consistency. Nonetheless, Human-AI collaboration remains essential for maintaining factual correctness, methodological soundness, and ethical compliance. Despite its effectiveness, we identify key limitations, including hallucinated citations, difficulty adapting to dynamic paper structures, and incomplete integration of multimodal content.

The remarkable success of pretrained language models has motivated the study of what kinds of knowledge these models learn during pretraining. Reformulating tasks as fill-in-the-blanks problems (e.g., cloze tests) is a natural approach for gauging such knowledge, however, its usage is limited by the manual effort and guesswork required to write suitable prompts. To address this, we develop AutoPrompt, an automated method to create prompts for a diverse set of tasks, based on a gradient-guided search. Using AutoPrompt, we show that masked language models (MLMs) have an inherent capability to perform sentiment analysis and natural language inference without additional parameters or finetuning, sometimes achieving performance on par with recent state-of-the-art supervised models. We also show that our prompts elicit more accurate factual knowledge from MLMs than the manually created prompts on the LAMA benchmark, and that MLMs can be used as relation extractors more effectively than supervised relation extraction models. These results demonstrate that automatically generated prompts are a viable parameter-free alternative to existing probing methods, and as pretrained LMs become more sophisticated and capable, potentially a replacement for finetuning.

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.

Formula recognition is an important task in document intelligence. It involves converting mathematical expressions from document images into structured symbolic formats that computers can easily work with. LaTeX is the most common format used for this purpose. In this work, we present PP-FormulaNet, a state-of-the-art formula recognition model that excels in both accuracy and efficiency. To meet the diverse needs of applications, we have developed two specialized models: PP-FormulaNet-L, tailored for high-accuracy scenarios, and PP-FormulaNet-S, optimized for high-efficiency contexts. Our extensive evaluations reveal that PP-FormulaNet-L attains accuracy levels that surpass those of prominent models such as UniMERNet by a significant 6%. Conversely, PP-FormulaNet-S operates at speeds that are over 16 times faster. These advancements facilitate seamless integration of PP-FormulaNet into a broad spectrum of document processing environments that involve intricate mathematical formulas. Furthermore, we introduce a Formula Mining System, which is capable of extracting a vast amount of high-quality formula data. This system further enhances the robustness and applicability of our formula recognition model. Code and models are publicly available at PaddleOCR(https://github.com/PaddlePaddle/PaddleOCR) and PaddleX(https://github.com/PaddlePaddle/PaddleX).

The rapid development of Large Language Models (LLMs) has substantially expanded the range of tasks they can address. In the field of Natural Language Processing (NLP), researchers have shifted their focus from conventional NLP tasks (e.g., sequence tagging and parsing) towards tasks that revolve around aligning with human needs (e.g., brainstorming and email writing). This shift in task distribution imposes new requirements on evaluating these aligned models regarding generality (i.e., assessing performance across diverse scenarios), flexibility (i.e., examining under different protocols), and interpretability (i.e., scrutinizing models with explanations). In this paper, we propose a generative judge with 13B parameters, Auto-J, designed to address these challenges. Our model is trained on user queries and LLM-generated responses under massive real-world scenarios and accommodates diverse evaluation protocols (e.g., pairwise response comparison and single-response evaluation) with well-structured natural language critiques. To demonstrate the efficacy of our approach, we construct a new testbed covering 58 different scenarios. Experimentally, Auto-J outperforms a series of strong competitors, including both open-source and closed-source models, by a large margin. We also provide detailed analysis and case studies to further reveal the potential of our method and make a variety of resources public at https://github.com/GAIR-NLP/auto-j.

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG) framework, the study introduces an approach to process diverse combustion research data, spanning experimental studies, simulations, and literature. The multifaceted nature of combustion research emphasizes the critical role of knowledge processing in navigating and extracting valuable information from a vast and diverse pool of sources. The developed approach minimizes computational and economic expenses while optimizing data privacy and accuracy. It incorporates prompt engineering and offline open-source LLMs, offering user autonomy in selecting base models. The study provides a thorough examination of text segmentation strategies, conducts comparative studies between LLMs, and explores various optimized prompts to demonstrate the effectiveness of the framework. By incorporating an external database, the framework outperforms a conventional LLM in generating accurate responses and constructing robust arguments. Additionally, the study delves into the investigation of optimized prompt templates for the purpose of efficient extraction of scientific literature. The research addresses concerns related to hallucinations and false research articles by introducing a custom workflow developed with a detection algorithm to filter out inaccuracies. Despite identified areas for improvement, the framework consistently delivers accurate domain-specific responses with minimal human oversight. The prompt-agnostic approach introduced holds promise for future deliberations. The study underscores the significance of integrating LLMs and knowledge processing techniques in scientific research, providing a foundation for advancements in data assimilation and utilization.

Mathematical programming -- the task of expressing operations and decision-making problems in precise mathematical language -- is fundamental across domains, yet remains a skill-intensive process requiring operations research expertise. Recent advances in large language models for complex reasoning have spurred interest in automating this task, translating natural language into executable optimization models. Current approaches, however, achieve limited accuracy, hindered by scarce and noisy training data without leveraging domain knowledge. In this work, we systematically integrate optimization expertise to improve formulation accuracy for mixed-integer linear programming, a key family of mathematical programs. Our approach first cleans training data through class-based error analysis to explicitly prevent common mistakes within each optimization class. We then develop multi-turn inference strategies that guide LLMs with class-specific error summaries and solver feedback, enabling iterative refinement. Experiments across multiple base LLMs demonstrate that combining cleaned data with domain-informed prompting and feedback improves formulation accuracy by 14 percentage points on average, enabling further progress toward robust LLM-assisted optimization formulation.

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

Analyzing unstructured data, such as complex documents, has been a persistent challenge in data processing. Large Language Models (LLMs) have shown promise in this regard, leading to recent proposals for declarative frameworks for LLM-powered unstructured data processing. However, these frameworks focus on reducing cost when executing user-specified operations using LLMs, rather than improving accuracy, executing most operations as-is. This is problematic for complex tasks and data, where LLM outputs for user-defined operations are often inaccurate, even with optimized prompts. We present DocETL, a system that optimizes complex document processing pipelines, while accounting for LLM shortcomings. DocETL offers a declarative interface for users to define such pipelines and uses an agent-based framework to automatically optimize them, leveraging novel agent-based rewrites (that we call {\em rewrite directives}) and an optimization and evaluation framework that we introduce. We introduce {\em (i)} logical rewriting of pipelines, tailored for LLM-based tasks, {\em (ii)} an agent-guided plan evaluation mechanism that synthesizes and orchestrates task-specific validation prompts, and {\em (iii)} an optimization algorithm that efficiently finds promising plans, considering the time constraints of LLM-based plan generation and evaluation. Our evaluation on three different unstructured document analysis tasks demonstrates that DocETL finds plans with outputs that are 1.34 to 4.6times higher quality (e.g., more accurate, comprehensive) than well-engineered baselines, addressing a critical gap in existing declarative frameworks for unstructured data analysis. DocETL is open-source at docetl.org, and as of October 2024, has amassed over 800 GitHub Stars, with users spanning a variety of domains.

Machine learning techniques have deeply rooted in our everyday life. However, since it is knowledge- and labor-intensive to pursue good learning performance, human experts are heavily involved in every aspect of machine learning. In order to make machine learning techniques easier to apply and reduce the demand for experienced human experts, automated machine learning (AutoML) has emerged as a hot topic with both industrial and academic interest. In this paper, we provide an up to date survey on AutoML. First, we introduce and define the AutoML problem, with inspiration from both realms of automation and machine learning. Then, we propose a general AutoML framework that not only covers most existing approaches to date but also can guide the design for new methods. Subsequently, we categorize and review the existing works from two aspects, i.e., the problem setup and the employed techniques. Finally, we provide a detailed analysis of AutoML approaches and explain the reasons underneath their successful applications. We hope this survey can serve as not only an insightful guideline for AutoML beginners but also an inspiration for future research.

Regulatory compliance in the pharmaceutical industry entails navigating through complex and voluminous guidelines, often requiring significant human resources. To address these challenges, our study introduces a chatbot model that utilizes generative AI and the Retrieval Augmented Generation (RAG) method. This chatbot is designed to search for guideline documents relevant to the user inquiries and provide answers based on the retrieved guidelines. Recognizing the inherent need for high reliability in this domain, we propose the Question and Answer Retrieval Augmented Generation (QA-RAG) model. In comparative experiments, the QA-RAG model demonstrated a significant improvement in accuracy, outperforming all other baselines including conventional RAG methods. This paper details QA-RAG's structure and performance evaluation, emphasizing its potential for the regulatory compliance domain in the pharmaceutical industry and beyond. We have made our work publicly available for further research and development.

Automating legal document drafting can significantly enhance efficiency, reduce manual effort, and streamline legal workflows. While prior research has explored tasks such as judgment prediction and case summarization, the structured generation of private legal documents in the Indian legal domain remains largely unaddressed. To bridge this gap, we introduce VidhikDastaavej, a novel, anonymized dataset of private legal documents, and develop NyayaShilp, a fine-tuned legal document generation model specifically adapted to Indian legal texts. We propose a Model-Agnostic Wrapper (MAW), a two-step framework that first generates structured section titles and then iteratively produces content while leveraging retrieval-based mechanisms to ensure coherence and factual accuracy. We benchmark multiple open-source LLMs, including instruction-tuned and domain-adapted versions, alongside proprietary models for comparison. Our findings indicate that while direct fine-tuning on small datasets does not always yield improvements, our structured wrapper significantly enhances coherence, factual adherence, and overall document quality while mitigating hallucinations. To ensure real-world applicability, we developed a Human-in-the-Loop (HITL) Document Generation System, an interactive user interface that enables users to specify document types, refine section details, and generate structured legal drafts. This tool allows legal professionals and researchers to generate, validate, and refine AI-generated legal documents efficiently. Extensive evaluations, including expert assessments, confirm that our framework achieves high reliability in structured legal drafting. This research establishes a scalable and adaptable foundation for AI-assisted legal drafting in India, offering an effective approach to structured legal document generation.

Automated machine learning (AutoML) is the sub-field of machine learning that aims at automating, to some extend, all stages of the design of a machine learning system. In the context of supervised learning, AutoML is concerned with feature extraction, pre processing, model design and post processing. Major contributions and achievements in AutoML have been taking place during the recent decade. We are therefore in perfect timing to look back and realize what we have learned. This chapter aims to summarize the main findings in the early years of AutoML. More specifically, in this chapter an introduction to AutoML for supervised learning is provided and an historical review of progress in this field is presented. Likewise, the main paradigms of AutoML are described and research opportunities are outlined.

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential to accelerate scientific discovery through automation. We also review LLM-based autonomous agents: LLMs with a broader set of tools to interact with their surrounding environment. These agents perform diverse tasks such as paper scraping, interfacing with automated laboratories, and synthesis planning. As agents are an emerging topic, we extend the scope of our review of agents beyond chemistry and discuss across any scientific domains. This review covers the recent history, current capabilities, and design of LLMs and autonomous agents, addressing specific challenges, opportunities, and future directions in chemistry. Key challenges include data quality and integration, model interpretability, and the need for standard benchmarks, while future directions point towards more sophisticated multi-modal agents and enhanced collaboration between agents and experimental methods. Due to the quick pace of this field, a repository has been built to keep track of the latest studies: https://github.com/ur-whitelab/LLMs-in-science.

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized context of pharmaceutical research. This limitation prevents practitioners from making full use of the latest AI developments in drug discovery. To address this challenge, we introduce DrugAgent, a multi-agent framework that automates machine learning (ML) programming for drug discovery tasks. DrugAgent employs an LLM Planner that formulates high-level ideas and an LLM Instructor that identifies and integrates domain knowledge when implementing those ideas. We present case studies on three representative drug discovery tasks. Our results show that DrugAgent consistently outperforms leading baselines, including a relative improvement of 4.92% in ROC-AUC compared to ReAct for drug-target interaction (DTI). DrugAgent is publicly available at https://anonymous.4open.science/r/drugagent-5C42/.

Interpreting the law is always essential for the law to adapt to the ever-changing society. It is a critical and challenging task even for legal practitioners, as it requires meticulous and professional annotations and summarizations by legal experts, which are admittedly time-consuming and expensive to collect at scale. To alleviate the burden on legal experts, we propose a method for automated legal interpretation. Specifically, by emulating doctrinal legal research, we introduce a novel framework, ATRIE, to address Legal Concept Interpretation, a typical task in legal interpretation. ATRIE utilizes large language models (LLMs) to AuTomatically Retrieve concept-related information, Interpret legal concepts, and Evaluate generated interpretations, eliminating dependence on legal experts. ATRIE comprises a legal concept interpreter and a legal concept interpretation evaluator. The interpreter uses LLMs to retrieve relevant information from previous cases and interpret legal concepts. The evaluator uses performance changes on Legal Concept Entailment, a downstream task we propose, as a proxy of interpretation quality. Automated and multifaceted human evaluations indicate that the quality of our interpretations is comparable to those written by legal experts, with superior comprehensiveness and readability. Although there remains a slight gap in accuracy, it can already assist legal practitioners in improving the efficiency of legal interpretation.

Tracking progress in machine learning has become increasingly difficult with the recent explosion in the number of papers. In this paper, we present AxCell, an automatic machine learning pipeline for extracting results from papers. AxCell uses several novel components, including a table segmentation subtask, to learn relevant structural knowledge that aids extraction. When compared with existing methods, our approach significantly improves the state of the art for results extraction. We also release a structured, annotated dataset for training models for results extraction, and a dataset for evaluating the performance of models on this task. Lastly, we show the viability of our approach enables it to be used for semi-automated results extraction in production, suggesting our improvements make this task practically viable for the first time. Code is available on GitHub.

Efficient and accurate autoformalization methods, which leverage large-scale datasets of extensive natural language mathematical problems to construct formal language datasets, are key to advancing formal mathematical reasoning. In this paper, we propose an autoformalization pipeline based on large language models with error feedback, achieving a fully automatic and training-free formalization approach. Using this pipeline, we curate an Olympiad-level dataset aligning natural language problems with Lean formalizations. The dataset comprises 3,922 mathematical problems in natural language and 9,787 in Lean, of which 64.46% were assessed as at least above-average quality, making it suitable as a benchmark for automated theorem provers. Additionally, we investigate the formalization and reasoning capabilities of various LLMs and empirically demonstrate that few-shot learning, error feedback, and increasing sampling numbers enhance the autoformalization process. Experiments of three automated theorem provers on the \dataset\ dataset also highlight its challenging nature and its value as a benchmark for formal reasoning tasks.

Feature engineering has demonstrated substantial utility for many machine learning workflows, such as in the small data regime or when distribution shifts are severe. Thus automating this capability can relieve much manual effort and improve model performance. Towards this, we propose AutoMAN, or Automated Mask-based Feature Engineering, an automated feature engineering framework that achieves high accuracy, low latency, and can be extended to heterogeneous and time-varying data. AutoMAN is based on effectively exploring the candidate transforms space, without explicitly manifesting transformed features. This is achieved by learning feature importance masks, which can be extended to support other modalities such as time series. AutoMAN learns feature transform importance end-to-end, incorporating a dataset's task target directly into feature engineering, resulting in state-of-the-art performance with significantly lower latency compared to alternatives.

This paper introduces a new tool, OccCANINE, to automatically transform occupational descriptions into the HISCO classification system. The manual work involved in processing and classifying occupational descriptions is error-prone, tedious, and time-consuming. We finetune a preexisting language model (CANINE) to do this automatically thereby performing in seconds and minutes what previously took days and weeks. The model is trained on 14 million pairs of occupational descriptions and HISCO codes in 13 different languages contributed by 22 different sources. Our approach is shown to have accuracy, recall and precision above 90 percent. Our tool breaks the metaphorical HISCO barrier and makes this data readily available for analysis of occupational structures with broad applicability in economics, economic history and various related disciplines.

As the capabilities of Large Language Models (LLMs) continue to advance, the field of patent processing has garnered increased attention within the natural language processing community. However, the majority of research has been concentrated on classification tasks, such as patent categorization and examination, or on short text generation tasks like patent summarization and patent quizzes. In this paper, we introduce a novel and practical task known as Draft2Patent, along with its corresponding D2P benchmark, which challenges LLMs to generate full-length patents averaging 17K tokens based on initial drafts. Patents present a significant challenge to LLMs due to their specialized nature, standardized terminology, and extensive length. We propose a multi-agent framework called AutoPatent which leverages the LLM-based planner agent, writer agents, and examiner agent with PGTree and RRAG to generate lengthy, intricate, and high-quality complete patent documents. The experimental results demonstrate that our AutoPatent framework significantly enhances the ability to generate comprehensive patents across various LLMs. Furthermore, we have discovered that patents generated solely with the AutoPatent framework based on the Qwen2.5-7B model outperform those produced by larger and more powerful LLMs, such as GPT-4o, Qwen2.5-72B, and LLAMA3.1-70B, in both objective metrics and human evaluations. We will make the data and code available upon acceptance at https://github.com/QiYao-Wang/AutoPatent.

Prompt engineering is a challenging and important task due to the high sensitivity of Large Language Models (LLMs) to the given prompt and the inherent ambiguity of a textual task instruction. Automatic prompt engineering is essential to achieve optimized performance from LLMs. Recent studies have demonstrated the capabilities of LLMs to automatically conduct prompt engineering by employing a meta-prompt that incorporates the outcomes of the last trials and proposes an improved prompt. However, this requires a high-quality benchmark to compare different prompts, which is difficult and expensive to acquire in many real-world use cases. In this work, we introduce a new method for automatic prompt engineering, using a calibration process that iteratively refines the prompt to the user intent. During the optimization process, the system jointly generates synthetic data of boundary use cases and optimizes the prompt according to the generated dataset. We demonstrate the effectiveness of our method with respect to strong proprietary models on real-world tasks such as moderation and generation. Our method outperforms state-of-the-art methods with a limited number of annotated samples. Furthermore, we validate the advantages of each one of the system's key components. Our system is built in a modular way, facilitating easy adaptation to other tasks. The code is available https://github.com/Eladlev/AutoPrompt{here}.

AI is undergoing a paradigm shift, with breakthroughs achieved by systems orchestrating multiple large language models (LLMs) and other complex components. As a result, developing principled and automated optimization methods for compound AI systems is one of the most important new challenges. Neural networks faced a similar challenge in its early days until backpropagation and automatic differentiation transformed the field by making optimization turn-key. Inspired by this, we introduce TextGrad, a powerful framework performing automatic ``differentiation'' via text. TextGrad backpropagates textual feedback provided by LLMs to improve individual components of a compound AI system. In our framework, LLMs provide rich, general, natural language suggestions to optimize variables in computation graphs, ranging from code snippets to molecular structures. TextGrad follows PyTorch's syntax and abstraction and is flexible and easy-to-use. It works out-of-the-box for a variety of tasks, where the users only provide the objective function without tuning components or prompts of the framework. We showcase TextGrad's effectiveness and generality across a diverse range of applications, from question answering and molecule optimization to radiotherapy treatment planning. Without modifying the framework, TextGrad improves the zero-shot accuracy of GPT-4o in Google-Proof Question Answering from 51% to 55%, yields 20% relative performance gain in optimizing LeetCode-Hard coding problem solutions, improves prompts for reasoning, designs new druglike small molecules with desirable in silico binding, and designs radiation oncology treatment plans with high specificity. TextGrad lays a foundation to accelerate the development of the next-generation of AI systems.

Access to real-world medication prescriptions is essential for medical research and healthcare quality improvement. However, access to real medication prescriptions is often limited due to the sensitive nature of the information expressed. Additionally, manually labelling these instructions for training and fine-tuning Natural Language Processing (NLP) models can be tedious and expensive. We introduce a novel task-specific model architecture, Label-To-Text-Transformer (LT3), tailored to generate synthetic medication prescriptions based on provided labels, such as a vocabulary list of medications and their attributes. LT3 is trained on a set of around 2K lines of medication prescriptions extracted from the MIMIC-III database, allowing the model to produce valuable synthetic medication prescriptions. We evaluate LT3's performance by contrasting it with a state-of-the-art Pre-trained Language Model (PLM), T5, analysing the quality and diversity of generated texts. We deploy the generated synthetic data to train the SpacyNER model for the Named Entity Recognition (NER) task over the n2c2-2018 dataset. The experiments show that the model trained on synthetic data can achieve a 96-98\% F1 score at Label Recognition on Drug, Frequency, Route, Strength, and Form. LT3 codes and data will be shared at https://github.com/HECTA-UoM/Label-To-Text-Transformer

The integration of artificial intelligence into journalistic practices represents a transformative shift in how news is gathered, analyzed, and disseminated. Large language models (LLMs), particularly those with agentic capabilities, offer unprecedented opportunities for enhancing journalistic workflows while simultaneously presenting complex challenges for newsroom integration. This research explores how agentic LLMs can support journalists' workflows, based on insights from journalist interviews and from the development of an LLM-based automation tool performing information filtering, summarization, and reporting. The paper details automated aggregation and summarization systems for journalists, presents a technical overview and evaluation of a user-centric LLM-driven reporting system (TeleFlash), and discusses both addressed and unmet journalist needs, with an outlook on future directions for AI-driven tools in journalism.

Large Language Model (LLM)-based agents have emerged as a transformative approach for open-ended problem solving, with information seeking (IS) being a core capability that enables autonomous reasoning and decision-making. While prior research has largely focused on improving retrieval depth, we observe that current IS agents often suffer from low search efficiency, which in turn constrains overall performance. A key factor underlying this inefficiency is the sparsity of target entities in training tasks, which limits opportunities for agents to learn and generalize efficient search behaviors. To address these challenges, we propose WebLeaper, a framework for constructing high-coverage IS tasks and generating efficient solution trajectories. We formulate IS as a tree-structured reasoning problem, enabling a substantially larger set of target entities to be embedded within a constrained context. Leveraging curated Wikipedia tables, we propose three variants for synthesizing IS tasks, Basic, Union, and Reverse-Union, to systematically increase both IS efficiency and efficacy. Finally, we curate training trajectories by retaining only those that are simultaneously accurate and efficient, ensuring that the model is optimized for both correctness and search performance. Extensive experiments on both basic and comprehensive settings, conducted on five IS benchmarks, BrowserComp, GAIA, xbench-DeepSearch, WideSearch, and Seal-0, demonstrate that our method consistently achieves improvements in both effectiveness and efficiency over strong baselines.

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to augment their knowledge, and triggering actions. In particular, workflows involving multiple agents solving complex tasks in a collaborative fashion exemplify their capacity to operate in less strict and less well-defined environments. Thus, a multi-agent approach has great potential for serving as a backbone in many industrial applications, ranging from complex knowledge retrieval systems to next generation robotic process automation. Given the reasoning abilities within the current generation of LLMs, complex processes require a multi-step approach that includes a plan of well-defined and modular tasks. Depending on the level of complexity, these tasks can be executed either by a single agent or a group of agents. In this work, we focus on designing a flexible agent engineering framework with careful attention to planning and execution, capable of handling complex use case applications across various domains. The proposed framework provides reliability in industrial applications and presents techniques to ensure a scalable, flexible, and collaborative workflow for multiple autonomous agents working together towards solving tasks.

Retrieval-Augmented Generation (RAG) has advanced significantly in recent years. The complexity of RAG systems, which involve multiple components-such as indexing, retrieval, and generation-along with numerous other parameters, poses substantial challenges for systematic evaluation and quality enhancement. Previous research highlights that evaluating RAG systems is essential for documenting advancements, comparing configurations, and identifying effective approaches for domain-specific applications. This study systematically reviews 63 academic articles to provide a comprehensive overview of state-of-the-art RAG evaluation methodologies, focusing on four key areas: datasets, retrievers, indexing and databases, and the generator component. We observe the feasibility of an automated evaluation approach for each component of a RAG system, leveraging an LLM capable of both generating evaluation datasets and conducting evaluations. In addition, we found that further practical research is essential to provide companies with clear guidance on the do's and don'ts of implementing and evaluating RAG systems. By synthesizing evaluation approaches for key RAG components and emphasizing the creation and adaptation of domain-specific datasets for benchmarking, we contribute to the advancement of systematic evaluation methods and the improvement of evaluation rigor for RAG systems. Furthermore, by examining the interplay between automated approaches leveraging LLMs and human judgment, we contribute to the ongoing discourse on balancing automation and human input, clarifying their respective contributions, limitations, and challenges in achieving robust and reliable evaluations.

Probabilistic text generators have been used to produce fake scientific papers for more than a decade. Such nonsensical papers are easily detected by both human and machine. Now more complex AI-powered generation techniques produce texts indistinguishable from that of humans and the generation of scientific texts from a few keywords has been documented. Our study introduces the concept of tortured phrases: unexpected weird phrases in lieu of established ones, such as 'counterfeit consciousness' instead of 'artificial intelligence.' We combed the literature for tortured phrases and study one reputable journal where these concentrated en masse. Hypothesising the use of advanced language models we ran a detector on the abstracts of recent articles of this journal and on several control sets. The pairwise comparisons reveal a concentration of abstracts flagged as 'synthetic' in the journal. We also highlight irregularities in its operation, such as abrupt changes in editorial timelines. We substantiate our call for investigation by analysing several individual dubious articles, stressing questionable features: tortured writing style, citation of non-existent literature, and unacknowledged image reuse. Surprisingly, some websites offer to rewrite texts for free, generating gobbledegook full of tortured phrases. We believe some authors used rewritten texts to pad their manuscripts. We wish to raise the awareness on publications containing such questionable AI-generated or rewritten texts that passed (poor) peer review. Deception with synthetic texts threatens the integrity of the scientific literature.

Identifying subtle technical errors within complex scientific and technical documents, especially those requiring multimodal interpretation (e.g., formulas in images), presents a significant hurdle for Large Language Models (LLMs) whose inherent error-correction tendencies can mask inaccuracies. This exploratory proof-of-concept (PoC) study investigates structured LLM context conditioning, informed by Persistent Workflow Prompting (PWP) principles, as a methodological strategy to modulate this LLM behavior at inference time. The approach is designed to enhance the reliability of readily available, general-purpose LLMs (specifically Gemini 2.5 Pro and ChatGPT Plus o3) for precise validation tasks, crucially relying only on their standard chat interfaces without API access or model modifications. To explore this methodology, we focused on validating chemical formulas within a single, complex test paper with known textual and image-based errors. Several prompting strategies were evaluated: while basic prompts proved unreliable, an approach adapting PWP structures to rigorously condition the LLM's analytical mindset appeared to improve textual error identification with both models. Notably, this method also guided Gemini 2.5 Pro to repeatedly identify a subtle image-based formula error previously overlooked during manual review, a task where ChatGPT Plus o3 failed in our tests. These preliminary findings highlight specific LLM operational modes that impede detail-oriented validation and suggest that PWP-informed context conditioning offers a promising and highly accessible technique for developing more robust LLM-driven analytical workflows, particularly for tasks requiring meticulous error detection in scientific and technical documents. Extensive validation beyond this limited PoC is necessary to ascertain broader applicability.

Autoformalization is the process of automatically translating from natural language mathematics to formal specifications and proofs. A successful autoformalization system could advance the fields of formal verification, program synthesis, and artificial intelligence. While the long-term goal of autoformalization seemed elusive for a long time, we show large language models provide new prospects towards this goal. We make the surprising observation that LLMs can correctly translate a significant portion (25.3%) of mathematical competition problems perfectly to formal specifications in Isabelle/HOL. We demonstrate the usefulness of this process by improving a previously introduced neural theorem prover via training on these autoformalized theorems. Our methodology results in a new state-of-the-art result on the MiniF2F theorem proving benchmark, improving the proof rate from 29.6% to 35.2%.

The field of machine learning (ML) has gained widespread adoption, leading to a significant demand for adapting ML to specific scenarios, which is yet expensive and non-trivial. The predominant approaches towards the automation of solving ML tasks (e.g., AutoML) are often time consuming and hard to understand for human developers. In contrast, though human engineers have the incredible ability to understand tasks and reason about solutions, their experience and knowledge are often sparse and difficult to utilize by quantitative approaches. In this paper, we aim to bridge the gap between machine intelligence and human knowledge by introducing a novel framework MLCopilot, which leverages the state-of-the-art LLMs to develop ML solutions for novel tasks. We showcase the possibility of extending the capability of LLMs to comprehend structured inputs and perform thorough reasoning for solving novel ML tasks. And we find that, after some dedicated design, the LLM can (i) observe from the existing experiences of ML tasks and (ii) reason effectively to deliver promising results for new tasks. The solution generated can be used directly to achieve high levels of competitiveness.

We present Auto-BenchmarkCard, a workflow for generating validated descriptions of AI benchmarks. Benchmark documentation is often incomplete or inconsistent, making it difficult to interpret and compare benchmarks across tasks or domains. Auto-BenchmarkCard addresses this gap by combining multi-agent data extraction from heterogeneous sources (e.g., Hugging Face, Unitxt, academic papers) with LLM-driven synthesis. A validation phase evaluates factual accuracy through atomic entailment scoring using the FactReasoner tool. This workflow has the potential to promote transparency, comparability, and reusability in AI benchmark reporting, enabling researchers and practitioners to better navigate and evaluate benchmark choices.

Alloy discovery is central to advancing modern industry but remains hindered by the vastness of compositional design space and the costly validation. Here, we present AutoMAT, a hierarchical and autonomous framework grounded in and validated by experiments, which integrates large language models, automated CALPHAD-based simulations, and AI-driven search to accelerate alloy design. Spanning the entire pipeline from ideation to validation, AutoMAT achieves high efficiency, accuracy, and interpretability without the need for manually curated large datasets. In a case study targeting a lightweight, high-strength alloy, AutoMAT identifies a titanium alloy with 8.1% lower density and comparable yield strength relative to the state-of-the-art reference, achieving the highest specific strength among all comparisons. In a second case targeting high-yield-strength high-entropy alloys, AutoMAT achieves a 28.2% improvement in yield strength over the base alloy. In both cases, AutoMAT reduces the discovery timeline from years to weeks, illustrating its potential as a scalable and versatile platform for next-generation alloy design.

The advent of Large Language Models has revolutionized tasks across domains, including the automation of legal document analysis, a critical component of modern contract management systems. This paper presents a comprehensive implementation of LLM-enhanced metadata extraction for contract review, focusing on the automatic detection and annotation of salient legal clauses. Leveraging both the publicly available Contract Understanding Atticus Dataset (CUAD) and proprietary contract datasets, our work demonstrates the integration of advanced LLM methodologies with practical applications. We identify three pivotal elements for optimizing metadata extraction: robust text conversion, strategic chunk selection, and advanced LLM-specific techniques, including Chain of Thought (CoT) prompting and structured tool calling. The results from our experiments highlight the substantial improvements in clause identification accuracy and efficiency. Our approach shows promise in reducing the time and cost associated with contract review while maintaining high accuracy in legal clause identification. The results suggest that carefully optimized LLM systems could serve as valuable tools for legal professionals, potentially increasing access to efficient contract review services for organizations of all sizes.

The analytical description of charts is an exciting and important research area with many applications in academia and industry. Yet, this challenging task has received limited attention from the computational linguistics research community. This paper proposes AutoChart, a large dataset for the analytical description of charts, which aims to encourage more research into this important area. Specifically, we offer a novel framework that generates the charts and their analytical description automatically. We conducted extensive human and machine evaluations on the generated charts and descriptions and demonstrate that the generated texts are informative, coherent, and relevant to the corresponding charts.

Autoformalization, which translates natural language mathematics into formal statements to enable machine reasoning, faces fundamental challenges in the wild due to the multimodal nature of the physical world, where physics requires inferring hidden constraints (e.g., mass or energy) from visual elements. To address this, we propose MMFormalizer, which extends autoformalization beyond text by integrating adaptive grounding with entities from real-world mathematical and physical domains. MMFormalizer recursively constructs formal propositions from perceptually grounded primitives through recursive grounding and axiom composition, with adaptive recursive termination ensuring that every abstraction is supported by visual evidence and anchored in dimensional or axiomatic grounding. We evaluate MMFormalizer on a new benchmark, PhyX-AF, comprising 115 curated samples from MathVerse, PhyX, Synthetic Geometry, and Analytic Geometry, covering diverse multimodal autoformalization tasks. Results show that frontier models such as GPT-5 and Gemini-3-Pro achieve the highest compile and semantic accuracy, with GPT-5 excelling in physical reasoning, while geometry remains the most challenging domain. Overall, MMFormalizer provides a scalable framework for unified multimodal autoformalization, bridging perception and formal reasoning. To the best of our knowledge, this is the first multimodal autoformalization method capable of handling classical mechanics (derived from the Hamiltonian), as well as relativity, quantum mechanics, and thermodynamics. More details are available on our project page: MMFormalizer.github.io

With the emerging trend of GPT models, we have established a framework called AutoML-GPT that integrates a comprehensive set of tools and libraries. This framework grants users access to a wide range of data preprocessing techniques, feature engineering methods, and model selection algorithms. Through a conversational interface, users can specify their requirements, constraints, and evaluation metrics. Throughout the process, AutoML-GPT employs advanced techniques for hyperparameter optimization and model selection, ensuring that the resulting model achieves optimal performance. The system effectively manages the complexity of the machine learning pipeline, guiding users towards the best choices without requiring deep domain knowledge. Through our experimental results on diverse datasets, we have demonstrated that AutoML-GPT significantly reduces the time and effort required for machine learning tasks. Its ability to leverage the vast knowledge encoded in large language models enables it to provide valuable insights, identify potential pitfalls, and suggest effective solutions to common challenges faced during model training.

Large Language Models have been shown to fail to create executable and verifiable plans in grounded environments. An emerging line of work shows success in using LLM as a formalizer to generate a formal representation (e.g., PDDL) of the planning domain, which can be deterministically solved to find a plan. We systematically evaluate this methodology while bridging some major gaps. While previous work only generates a partial PDDL representation given templated and thus unrealistic environment descriptions, we generate the complete representation given descriptions of various naturalness levels. Among an array of observations critical to improve LLMs' formal planning ability, we note that large enough models can effectively formalize descriptions as PDDL, outperforming those directly generating plans, while being robust to lexical perturbation. As the descriptions become more natural-sounding, we observe a decrease in performance and provide detailed error analysis.

Automated machine learning (AutoML) is a collection of techniques designed to automate the machine learning development process. While traditional AutoML approaches have been successfully applied in several critical steps of model development (e.g. hyperparameter optimization), there lacks a AutoML system that automates the entire end-to-end model production workflow. To fill this blank, we present AutoMMLab, a general-purpose LLM-empowered AutoML system that follows user's language instructions to automate the whole model production workflow for computer vision tasks. The proposed AutoMMLab system effectively employs LLMs as the bridge to connect AutoML and OpenMMLab community, empowering non-expert individuals to easily build task-specific models via a user-friendly language interface. Specifically, we propose RU-LLaMA to understand users' request and schedule the whole pipeline, and propose a novel LLM-based hyperparameter optimizer called HPO-LLaMA to effectively search for the optimal hyperparameters. Experiments show that our AutoMMLab system is versatile and covers a wide range of mainstream tasks, including classification, detection, segmentation and keypoint estimation. We further develop a new benchmark, called LAMP, for studying key components in the end-to-end prompt-based model training pipeline. Code, model, and data will be released.

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.

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.

In recent years, the rapid increase in scientific papers has overwhelmed traditional review mechanisms, resulting in varying quality of publications. Although existing methods have explored the capabilities of Large Language Models (LLMs) for automated scientific reviewing, their generated contents are often generic or partial. To address the issues above, we introduce an automated paper reviewing framework SEA. It comprises of three modules: Standardization, Evaluation, and Analysis, which are represented by models SEA-S, SEA-E, and SEA-A, respectively. Initially, SEA-S distills data standardization capabilities of GPT-4 for integrating multiple reviews for a paper. Then, SEA-E utilizes standardized data for fine-tuning, enabling it to generate constructive reviews. Finally, SEA-A introduces a new evaluation metric called mismatch score to assess the consistency between paper contents and reviews. Moreover, we design a self-correction strategy to enhance the consistency. Extensive experimental results on datasets collected from eight venues show that SEA can generate valuable insights for authors to improve their papers.

Using LLMs (Large Language Models) in conjunction with external documents has made RAG (Retrieval-Augmented Generation) an essential technology. Numerous techniques and modules for RAG are being researched, but their performance can vary across different datasets. Finding RAG modules that perform well on specific datasets is challenging. In this paper, we propose the AutoRAG framework, which automatically identifies suitable RAG modules for a given dataset. AutoRAG explores and approximates the optimal combination of RAG modules for the dataset. Additionally, we share the results of optimizing a dataset using AutoRAG. All experimental results and data are publicly available and can be accessed through our GitHub repository https://github.com/Marker-Inc-Korea/AutoRAG_ARAGOG_Paper .

In this work, we propose a novel method named Automated Process-Supervised Verifier (\textsc{AutoPSV}) to enhance the reasoning capabilities of large language models (LLMs) by automatically annotating the reasoning steps. AutoPSV begins by training a verification model on the correctness of final answers, enabling it to generate automatic process annotations. This verification model assigns a confidence score to each reasoning step, indicating the probability of arriving at the correct final answer from that point onward. We detect relative changes in the verification's confidence scores across reasoning steps to automatically annotate the reasoning process, enabling error detection even in scenarios where ground truth answers are unavailable. This alleviates the need for numerous manual annotations or the high computational costs associated with model-induced annotation approaches. We experimentally validate that the step-level confidence changes learned by the verification model trained on the final answer correctness can effectively identify errors in the reasoning steps. We demonstrate that the verification model, when trained on process annotations generated by AutoPSV, exhibits improved performance in selecting correct answers from multiple LLM-generated outputs. Notably, we achieve substantial improvements across five datasets in mathematics and commonsense reasoning. The source code of AutoPSV is available at https://github.com/rookie-joe/AutoPSV.

Prompt engineering is critical for the development of LLM-based applications. However, it is usually done manually in a "trial and error" fashion. This manual procedure can be time consuming, ineffective, and the generated prompts are, in a lot of cases, sub-optimal. Even for the prompts which seemingly work well, there is always a lingering question: can the prompts be made better with further modifications? To address these questions, in this paper, we investigate prompt engineering automation. We consider a specific use case scenario in which developers/users have drafted initial prompts, but lack the time/expertise to optimize them. We propose PRewrite, an automated tool to rewrite these drafts and to generate highly effective new prompts. PRewrite is based on the Reinforcement Learning (RL) framework which allows for end-to-end optimization and our design allows the RL search to happen in a large action space. The automated tool leverages manually crafted prompts as starting points which makes the rewriting procedure more guided and efficient. The generated prompts are human readable, and self-explanatory, unlike some of those in previous works. We conducted extensive experiments on diverse datasets and found that the prompts generated with this new method not only outperform professionally crafted prompts, but also prompts generated with other previously proposed methods.

Background. Due to the widespread adoption of Artificial Intelligence (AI) and Machine Learning (ML) for building software applications, companies are struggling to recruit employees with a deep understanding of such technologies. In this scenario, AutoML is soaring as a promising solution to fill the AI/ML skills gap since it promises to automate the building of end-to-end AI/ML pipelines that would normally be engineered by specialized team members. Aims. Despite the growing interest and high expectations, there is a dearth of information about the extent to which AutoML is currently adopted by teams developing AI/ML-enabled systems and how it is perceived by practitioners and researchers. Method. To fill these gaps, in this paper, we present a mixed-method study comprising a benchmark of 12 end-to-end AutoML tools on two SE datasets and a user survey with follow-up interviews to further our understanding of AutoML adoption and perception. Results. We found that AutoML solutions can generate models that outperform those trained and optimized by researchers to perform classification tasks in the SE domain. Also, our findings show that the currently available AutoML solutions do not live up to their names as they do not equally support automation across the stages of the ML development workflow and for all the team members. Conclusions. We derive insights to inform the SE research community on how AutoML can facilitate their activities and tool builders on how to design the next generation of AutoML technologies.

Drug discovery typically consists of multiple steps, including identifying a target protein key to a disease's etiology, validating that interacting with this target could prevent symptoms or cure the disease, discovering a small molecule or biologic therapeutic to interact with it, and optimizing the candidate molecule through a complex landscape of required properties. Drug discovery related tasks often involve prediction and generation while considering multiple entities that potentially interact, which poses a challenge for typical AI models. For this purpose we present MAMMAL - Molecular Aligned Multi-Modal Architecture and Language - a method that we applied to create a versatile multi-task foundation model ibm/biomed.omics.bl.sm.ma-ted-458m that learns from large-scale biological datasets (2 billion samples) across diverse modalities, including proteins, small molecules, and genes. We introduce a prompt syntax that supports a wide range of classification, regression, and generation tasks. It allows combining different modalities and entity types as inputs and/or outputs. Our model handles combinations of tokens and scalars and enables the generation of small molecules and proteins, property prediction, and transcriptomic lab test predictions. We evaluated the model on 11 diverse downstream tasks spanning different steps within a typical drug discovery pipeline, where it reaches new SOTA in 9 tasks and is comparable to SOTA in 2 tasks. This performance is achieved while using a unified architecture serving all tasks, in contrast to the original SOTA performance achieved using tailored architectures. The model code and pretrained weights are publicly available at https://github.com/BiomedSciAI/biomed-multi-alignment and https://huggingface.co/ibm/biomed.omics.bl.sm.ma-ted-458m.

Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches address only a narrowly defined set of tasks, often circumscribed within a particular domain. To bridge this gap, we introduce Tx-LLM, a generalist large language model (LLM) fine-tuned from PaLM-2 which encodes knowledge about diverse therapeutic modalities. Tx-LLM is trained using a collection of 709 datasets that target 66 tasks spanning various stages of the drug discovery pipeline. Using a single set of weights, Tx-LLM simultaneously processes a wide variety of chemical or biological entities(small molecules, proteins, nucleic acids, cell lines, diseases) interleaved with free-text, allowing it to predict a broad range of associated properties, achieving competitive with state-of-the-art (SOTA) performance on 43 out of 66 tasks and exceeding SOTA on 22. Among these, Tx-LLM is particularly powerful and exceeds best-in-class performance on average for tasks combining molecular SMILES representations with text such as cell line names or disease names, likely due to context learned during pretraining. We observe evidence of positive transfer between tasks with diverse drug types (e.g.,tasks involving small molecules and tasks involving proteins), and we study the impact of model size, domain finetuning, and prompting strategies on performance. We believe Tx-LLM represents an important step towards LLMs encoding biochemical knowledge and could have a future role as an end-to-end tool across the drug discovery development pipeline.

Recently, the incredible progress of large language models (LLMs) has ignited the spark of task automation, which decomposes the complex tasks described by user instructions into sub-tasks, and invokes external tools to execute them, and plays a central role in autonomous agents. However, there lacks a systematic and standardized benchmark to foster the development of LLMs in task automation. To this end, we introduce TaskBench to evaluate the capability of LLMs in task automation. Specifically, task automation can be formulated into three critical stages: task decomposition, tool invocation, and parameter prediction to fulfill user intent. This complexity makes data collection and evaluation more challenging compared to common NLP tasks. To generate high-quality evaluation datasets, we introduce the concept of Tool Graph to represent the decomposed tasks in user intent, and adopt a back-instruct method to simulate user instruction and annotations. Furthermore, we propose TaskEval to evaluate the capability of LLMs from different aspects, including task decomposition, tool invocation, and parameter prediction. Experimental results demonstrate that TaskBench can effectively reflects the capability of LLMs in task automation. Benefiting from the mixture of automated data construction and human verification, TaskBench achieves a high consistency compared to the human evaluation, which can be utilized as a comprehensive and faithful benchmark for LLM-based autonomous agents.

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.

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external tools for complex-task solving. To make sure LLM Agents follow an effective and reliable procedure to solve the given task, manually designed workflows are usually used to guide the working mechanism of agents. However, manually designing the workflows requires considerable efforts and domain knowledge, making it difficult to develop and deploy agents on massive scales. To address these issues, we propose AutoFlow, a framework designed to automatically generate workflows for agents to solve complex tasks. AutoFlow takes natural language program as the format of agent workflow and employs a workflow optimization procedure to iteratively optimize the workflow quality. Besides, this work offers two workflow generation methods: fine-tuning-based and in-context-based methods, making the AutoFlow framework applicable to both open-source and closed-source LLMs. Experimental results show that our framework can produce robust and reliable agent workflows. We believe that the automatic generation and interpretation of workflows in natural language represent a promising paradigm for solving complex tasks, particularly with the rapid development of LLMs. The source code of this work is available at https://github.com/agiresearch/AutoFlow.

Advanced applied mathematics problems are underrepresented in existing Large Language Model (LLM) benchmark datasets. To address this, we introduce HARDMath, a dataset inspired by a graduate course on asymptotic methods, featuring challenging applied mathematics problems that require analytical approximation techniques. These problems demand a combination of mathematical reasoning, computational tools, and subjective judgment, making them difficult for LLMs. Our framework auto-generates a large number of problems with solutions validated against numerical ground truths. We evaluate both open- and closed-source LLMs on HARDMath-mini, a sub-sampled test set of 366 problems, as well as on 40 word problems formulated in applied science contexts. Even leading closed-source models like GPT-4 achieve only 43.8% overall accuracy with few-shot Chain-of-Thought prompting, and all models demonstrate significantly lower performance compared to results on existing mathematics benchmark datasets. We additionally conduct a detailed error analysis to gain insights into the failure cases of LLMs. These results demonstrate limitations of current LLM performance on advanced graduate-level applied math problems and underscore the importance of datasets like HARDMath to advance mathematical abilities of LLMs.

As a vital stage of automated rule checking (ARC), rule interpretation of regulatory texts requires considerable effort. However, interpreting regulatory clauses with implicit properties or complex computational logic is still challenging due to the lack of domain knowledge and limited expressibility of conventional logic representations. Thus, LLM-FuncMapper, an approach to identifying predefined functions needed to interpret various regulatory clauses based on the large language model (LLM), is proposed. First, by systematically analysis of building codes, a series of atomic functions are defined to capture shared computational logics of implicit properties and complex constraints, creating a database of common blocks for interpreting regulatory clauses. Then, a prompt template with the chain of thought is developed and further enhanced with a classification-based tuning strategy, to enable common LLMs for effective function identification. Finally, the proposed approach is validated with statistical analysis, experiments, and proof of concept. Statistical analysis reveals a long-tail distribution and high expressibility of the developed function database, with which almost 100% of computer-processible clauses can be interpreted and represented as computer-executable codes. Experiments show that LLM-FuncMapper achieve promising results in identifying relevant predefined functions for rule interpretation. Further proof of concept in automated rule interpretation also demonstrates the possibility of LLM-FuncMapper in interpreting complex regulatory clauses. To the best of our knowledge, this study is the first attempt to introduce LLM for understanding and interpreting complex regulatory clauses, which may shed light on further adoption of LLM in the construction domain.

We introduce Paper2Agent, an automated framework that converts research papers into AI agents. Paper2Agent transforms research output from passive artifacts into active systems that can accelerate downstream use, adoption, and discovery. Conventional research papers require readers to invest substantial effort to understand and adapt a paper's code, data, and methods to their own work, creating barriers to dissemination and reuse. Paper2Agent addresses this challenge by automatically converting a paper into an AI agent that acts as a knowledgeable research assistant. It systematically analyzes the paper and the associated codebase using multiple agents to construct a Model Context Protocol (MCP) server, then iteratively generates and runs tests to refine and robustify the resulting MCP. These paper MCPs can then be flexibly connected to a chat agent (e.g. Claude Code) to carry out complex scientific queries through natural language while invoking tools and workflows from the original paper. We demonstrate Paper2Agent's effectiveness in creating reliable and capable paper agents through in-depth case studies. Paper2Agent created an agent that leverages AlphaGenome to interpret genomic variants and agents based on ScanPy and TISSUE to carry out single-cell and spatial transcriptomics analyses. We validate that these paper agents can reproduce the original paper's results and can correctly carry out novel user queries. By turning static papers into dynamic, interactive AI agents, Paper2Agent introduces a new paradigm for knowledge dissemination and a foundation for the collaborative ecosystem of AI co-scientists.

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

Efficient experiment reproduction is critical to accelerating progress in artificial intelligence. However, the inherent complexity of method design and training procedures presents substantial challenges for automation. Notably, reproducing experiments often requires implicit domain-specific knowledge not explicitly documented in the original papers. To address this, we introduce the paper lineage algorithm, which identifies and extracts implicit knowledge from the relevant references cited by the target paper. Building on this idea, we propose AutoReproduce, a multi-agent framework capable of automatically reproducing experiments described in research papers in an end-to-end manner. AutoReproduce enhances code executability by generating unit tests alongside the reproduction process. To evaluate the reproduction capability, we construct ReproduceBench, a benchmark annotated with verified implementations, and introduce novel evaluation metrics to assess both the reproduction and execution fidelity. Experimental results demonstrate that AutoReproduce outperforms the existing strong agent baselines on all five evaluation metrics by a peak margin of over 70%. In particular, compared to the official implementations, AutoReproduce achieves an average performance gap of 22.1% on 89.74% of the executable experiment runs. The code will be available at https://github.com/AI9Stars/AutoReproduce.

Large language models (LLMs) have enabled remarkable advances in automated task-solving with multi-agent systems. However, most existing LLM-based multi-agent approaches rely on predefined agents to handle simple tasks, limiting the adaptability of multi-agent collaboration to different scenarios. Therefore, we introduce AutoAgents, an innovative framework that adaptively generates and coordinates multiple specialized agents to build an AI team according to different tasks. Specifically, AutoAgents couples the relationship between tasks and roles by dynamically generating multiple required agents based on task content and planning solutions for the current task based on the generated expert agents. Multiple specialized agents collaborate with each other to efficiently accomplish tasks. Concurrently, an observer role is incorporated into the framework to reflect on the designated plans and agents' responses and improve upon them. Our experiments on various benchmarks demonstrate that AutoAgents generates more coherent and accurate solutions than the existing multi-agent methods. This underscores the significance of assigning different roles to different tasks and of team cooperation, offering new perspectives for tackling complex tasks. The repository of this project is available at https://github.com/Link-AGI/AutoAgents.

Recent advancements in Large Language Models have transformed ML/AI development, necessitating a reevaluation of AutoML principles for the Retrieval-Augmented Generation (RAG) systems. To address the challenges of hyper-parameter optimization and online adaptation in RAG, we propose the AutoRAG-HP framework, which formulates the hyper-parameter tuning as an online multi-armed bandit (MAB) problem and introduces a novel two-level Hierarchical MAB (Hier-MAB) method for efficient exploration of large search spaces. We conduct extensive experiments on tuning hyper-parameters, such as top-k retrieved documents, prompt compression ratio, and embedding methods, using the ALCE-ASQA and Natural Questions datasets. Our evaluation from jointly optimization all three hyper-parameters demonstrate that MAB-based online learning methods can achieve Recall@5 approx 0.8 for scenarios with prominent gradients in search space, using only sim20% of the LLM API calls required by the Grid Search approach. Additionally, the proposed Hier-MAB approach outperforms other baselines in more challenging optimization scenarios. The code will be made available at https://aka.ms/autorag.

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

It is desirable to coarsely classify short scientific texts, such as grant or publication abstracts, for strategic insight or research portfolio management. These texts efficiently transmit dense information to experts possessing a rich body of knowledge to aid interpretation. Yet this task is remarkably difficult to automate because of brevity and the absence of context. To address this gap, we have developed a novel approach to generate and appropriately assign coarse domain-specific labels. We show that a Large Language Model (LLM) can provide metadata essential to the task, in a process akin to the augmentation of supplemental knowledge representing human intuition, and propose a workflow. As a pilot study, we use a corpus of award abstracts from the National Aeronautics and Space Administration (NASA). We develop new assessment tools in concert with established performance metrics.

Expository documents are vital resources for conveying complex information to readers. Despite their usefulness, writing expository text by hand is a challenging process that requires careful content planning, obtaining facts from multiple sources, and the ability to clearly synthesize these facts. To ease these burdens, we propose the task of expository text generation, which seeks to automatically generate an accurate and stylistically consistent expository text for a topic by intelligently searching a knowledge source. We solve our task by developing IRP, a framework that overcomes the limitations of retrieval-augmented models and iteratively performs content planning, fact retrieval, and rephrasing. Through experiments on three diverse, newly-collected datasets, we show that IRP produces factual and organized expository texts that accurately inform readers.

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

As the legal community increasingly examines the use of large language models (LLMs) for various legal applications, legal AI developers have turned to retrieval-augmented LLMs ("RAG" systems) to improve system performance and robustness. An obstacle to the development of specialized RAG systems is the lack of realistic legal RAG benchmarks which capture the complexity of both legal retrieval and downstream legal question-answering. To address this, we introduce two novel legal RAG benchmarks: Bar Exam QA and Housing Statute QA. Our tasks correspond to real-world legal research tasks, and were produced through annotation processes which resemble legal research. We describe the construction of these benchmarks and the performance of existing retriever pipelines. Our results suggest that legal RAG remains a challenging application, thus motivating future research.

We consider automatically identifying the defined term within a mathematical definition from the text of an academic article. Inspired by the development of transformer-based natural language processing applications, we pose the problem as (a) a token-level classification task using fine-tuned pre-trained transformers; and (b) a question-answering task using a generalist large language model (GPT). We also propose a rule-based approach to build a labeled dataset from the LATEX source of papers. Experimental results show that it is possible to reach high levels of precision and recall using either recent (and expensive) GPT 4 or simpler pre-trained models fine-tuned on our task.

A law practitioner has to go through numerous lengthy legal case proceedings for their practices of various categories, such as land dispute, corruption, etc. Hence, it is important to summarize these documents, and ensure that summaries contain phrases with intent matching the category of the case. To the best of our knowledge, there is no evaluation metric that evaluates a summary based on its intent. We propose an automated intent-based summarization metric, which shows a better agreement with human evaluation as compared to other automated metrics like BLEU, ROUGE-L etc. in terms of human satisfaction. We also curate a dataset by annotating intent phrases in legal documents, and show a proof of concept as to how this system can be automated. Additionally, all the code and data to generate reproducible results is available on Github.

Since the proliferation of LLMs, there have been concerns about their misuse for harmful content creation and spreading. Recent studies justify such fears, providing evidence of LLM vulnerabilities and high potential of their misuse. Humans are no longer able to distinguish between high-quality machine-generated and authentic human-written texts. Therefore, it is crucial to develop automated means to accurately detect machine-generated content. It would enable to identify such content in online information space, thus providing an additional information about its credibility. This work addresses the problem by proposing a robust fine-tuning process of LLMs for the detection task, making the detectors more robust against obfuscation and more generalizable to out-of-distribution data.

The recommendation of medication is a vital aspect of intelligent healthcare systems, as it involves prescribing the most suitable drugs based on a patient's specific health needs. Unfortunately, many sophisticated models currently in use tend to overlook the nuanced semantics of medical data, while only relying heavily on identities. Furthermore, these models face significant challenges in handling cases involving patients who are visiting the hospital for the first time, as they lack prior prescription histories to draw upon. To tackle these issues, we harness the powerful semantic comprehension and input-agnostic characteristics of Large Language Models (LLMs). Our research aims to transform existing medication recommendation methodologies using LLMs. In this paper, we introduce a novel approach called Large Language Model Distilling Medication Recommendation (LEADER). We begin by creating appropriate prompt templates that enable LLMs to suggest medications effectively. However, the straightforward integration of LLMs into recommender systems leads to an out-of-corpus issue specific to drugs. We handle it by adapting the LLMs with a novel output layer and a refined tuning loss function. Although LLM-based models exhibit remarkable capabilities, they are plagued by high computational costs during inference, which is impractical for the healthcare sector. To mitigate this, we have developed a feature-level knowledge distillation technique, which transfers the LLM's proficiency to a more compact model. Extensive experiments conducted on two real-world datasets, MIMIC-III and MIMIC-IV, demonstrate that our proposed model not only delivers effective results but also is efficient. To ease the reproducibility of our experiments, we release the implementation code online.

In populous countries, pending legal cases have been growing exponentially. There is a need for developing techniques for processing and organizing legal documents. In this paper, we introduce a new corpus for structuring legal documents. In particular, we introduce a corpus of legal judgment documents in English that are segmented into topical and coherent parts. Each of these parts is annotated with a label coming from a list of pre-defined Rhetorical Roles. We develop baseline models for automatically predicting rhetorical roles in a legal document based on the annotated corpus. Further, we show the application of rhetorical roles to improve performance on the tasks of summarization and legal judgment prediction. We release the corpus and baseline model code along with the paper.

Autoformalization, the conversion of natural language mathematics into formal languages, offers significant potential for advancing mathematical reasoning. However, existing efforts are limited to formal languages with substantial online corpora and struggle to keep pace with rapidly evolving languages like Lean 4. To bridge this gap, we propose a new benchmark Formalization for Lean~4 (\name) designed to evaluate the autoformalization capabilities of large language models (LLMs). This benchmark encompasses a comprehensive assessment of questions, answers, formal statements, and proofs. Additionally, we introduce a Process-Supervised Verifier (PSV) model that leverages the precise feedback from Lean 4 compilers to enhance autoformalization. Our experiments demonstrate that the PSV method improves autoformalization, enabling higher accuracy using less filtered training data. Furthermore, when fine-tuned with data containing detailed process information, PSV can leverage the data more effectively, leading to more significant improvements in autoformalization for Lean 4. Our dataset and code are available at https://github.com/rookie-joe/PDA.

Revision is a crucial step in scientific writing, where authors refine their work to improve clarity, structure, and academic quality. Existing approaches to automated writing assistance often focus on sentence-level revisions, which fail to capture the broader context needed for effective modification. In this paper, we explore the impact of shifting from sentence-level to paragraph-level scope for the task of scientific text revision. The paragraph level definition of the task allows for more meaningful changes, and is guided by detailed revision instructions rather than general ones. To support this task, we introduce ParaRev, the first dataset of revised scientific paragraphs with an evaluation subset manually annotated with revision instructions. Our experiments demonstrate that using detailed instructions significantly improves the quality of automated revisions compared to general approaches, no matter the model or the metric considered.

Millions of melanocytic skin lesions are examined by pathologists each year, the majority of which concern common nevi (i.e., ordinary moles). While most of these lesions can be diagnosed in seconds, writing the corresponding pathology report is much more time-consuming. Automating part of the report writing could, therefore, alleviate the increasing workload of pathologists. In this work, we develop a vision-language model specifically for the pathology domain of cutaneous melanocytic lesions. The model follows the Contrastive Captioner framework and was trained and evaluated using a melanocytic lesion dataset of 42,512 H&E-stained whole slide images and 19,645 corresponding pathology reports. Our results show that the quality scores of model-generated reports were on par with pathologist-written reports for common nevi, assessed by an expert pathologist in a reader study. While report generation revealed to be more difficult for rare melanocytic lesion subtypes, the cross-modal retrieval performance for these cases was considerably better.

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.

Data-driven scientific discovery requires iterative cycles of literature search, hypothesis generation, and data analysis. Substantial progress has been made towards AI agents that can automate scientific research, but all such agents remain limited in the number of actions they can take before losing coherence, thus limiting the depth of their findings. Here we present Kosmos, an AI scientist that automates data-driven discovery. Given an open-ended objective and a dataset, Kosmos runs for up to 12 hours performing cycles of parallel data analysis, literature search, and hypothesis generation before synthesizing discoveries into scientific reports. Unlike prior systems, Kosmos uses a structured world model to share information between a data analysis agent and a literature search agent. The world model enables Kosmos to coherently pursue the specified objective over 200 agent rollouts, collectively executing an average of 42,000 lines of code and reading 1,500 papers per run. Kosmos cites all statements in its reports with code or primary literature, ensuring its reasoning is traceable. Independent scientists found 79.4% of statements in Kosmos reports to be accurate, and collaborators reported that a single 20-cycle Kosmos run performed the equivalent of 6 months of their own research time on average. Furthermore, collaborators reported that the number of valuable scientific findings generated scales linearly with Kosmos cycles (tested up to 20 cycles). We highlight seven discoveries made by Kosmos that span metabolomics, materials science, neuroscience, and statistical genetics. Three discoveries independently reproduce findings from preprinted or unpublished manuscripts that were not accessed by Kosmos at runtime, while four make novel contributions to the scientific literature.

This work delved into the realm of automatic text generation, exploring a variety of techniques ranging from traditional deterministic approaches to more modern stochastic methods. Through analysis of greedy search, beam search, top-k sampling, top-p sampling, contrastive searching, and locally typical searching, this work has provided valuable insights into the strengths, weaknesses, and potential applications of each method. Each text-generating method is evaluated using several standard metrics and a comparative study has been made on the performance of the approaches. Finally, some future directions of research in the field of automatic text generation are also identified.

Correctly parsing mathematical formulas from PDFs is critical for training large language models and building scientific knowledge bases from academic literature, yet existing benchmarks either exclude formulas entirely or lack semantically-aware evaluation metrics. We introduce a novel benchmarking framework centered on synthetically generated PDFs with precise LaTeX ground truth, enabling systematic control over layout, formulas, and content characteristics. A key methodological contribution is pioneering LLM-as-a-judge for semantic formula assessment, combined with a robust two-stage matching pipeline that handles parser output inconsistencies. Through human validation on 250 formula pairs (750 ratings from 30 evaluators), we demonstrate that LLM-based evaluation achieves substantially higher correlation with human judgment (Pearson r=0.78) compared to CDM (r=0.34) and text similarity (r~0). Evaluating 20+ contemporary PDF parsers (including specialized OCR models, vision-language models, and rule-based approaches) across 100 synthetic documents with 2,000+ formulas reveals significant performance disparities. Our findings provide crucial insights for practitioners selecting parsers for downstream applications and establish a robust, scalable methodology that enables reproducible evaluation of PDF formula extraction quality. Code and benchmark data: https://github.com/phorn1/pdf-parse-bench

Regulatory texts are inherently long and complex, presenting significant challenges for information retrieval systems in supporting regulatory officers with compliance tasks. This paper introduces a hybrid information retrieval system that combines lexical and semantic search techniques to extract relevant information from large regulatory corpora. The system integrates a fine-tuned sentence transformer model with the traditional BM25 algorithm to achieve both semantic precision and lexical coverage. To generate accurate and comprehensive responses, retrieved passages are synthesized using Large Language Models (LLMs) within a Retrieval Augmented Generation (RAG) framework. Experimental results demonstrate that the hybrid system significantly outperforms standalone lexical and semantic approaches, with notable improvements in Recall@10 and MAP@10. By openly sharing our fine-tuned model and methodology, we aim to advance the development of robust natural language processing tools for compliance-driven applications in regulatory domains.

We explore the ability of GPT-4 to perform ad-hoc schema based information extraction from scientific literature. We assess specifically whether it can, with a basic prompting approach, replicate two existing material science datasets, given the manuscripts from which they were originally manually extracted. We employ materials scientists to perform a detailed manual error analysis to assess where the model struggles to faithfully extract the desired information, and draw on their insights to suggest research directions to address this broadly important task.

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.

Autoprompting is the process of automatically selecting optimized prompts for language models, which is gaining popularity due to the rapid development of prompt engineering driven by extensive research in the field of large language models (LLMs). This paper presents DistillPrompt -- a novel autoprompting method based on large language models that employs a multi-stage integration of task-specific information into prompts using training data. DistillPrompt utilizes distillation, compression, and aggregation operations to explore the prompt space more thoroughly. The method was tested on different datasets for text classification and generation tasks using the t-lite-instruct-0.1 language model. The results demonstrate a significant average improvement (e.g., 20.12% across the entire dataset compared to Grips) in key metrics over existing methods in the field, establishing DistillPrompt as one of the most effective non-gradient approaches in autoprompting.

Automatic food recipe generation methods provide a creative tool for chefs to explore and to create new, and interesting culinary delights. Given the recent success of large language models (LLMs), they have the potential to create new recipes that can meet individual preferences, dietary constraints, and adapt to what is in your refrigerator. Existing research on using LLMs to generate recipes has shown that LLMs can be finetuned to generate realistic-sounding recipes. However, on close examination, these generated recipes often fail to meet basic requirements like including chicken as an ingredient in chicken dishes. In this paper, we propose RecipeMC, a text generation method using GPT-2 that relies on Monte Carlo Tree Search (MCTS). RecipeMC allows us to define reward functions to put soft constraints on text generation and thus improve the credibility of the generated recipes. Our results show that human evaluators prefer recipes generated with RecipeMC more often than recipes generated with other baseline methods when compared with real recipes.

Since the advent of various pre-trained large language models, extracting structured knowledge from scientific text has experienced a revolutionary change compared with traditional machine learning or natural language processing techniques. Despite these advances, accessible automated tools that allow users to construct, validate, and visualise datasets from scientific literature extraction remain scarce. We therefore developed ComProScanner, an autonomous multi-agent platform that facilitates the extraction, validation, classification, and visualisation of machine-readable chemical compositions and properties, integrated with synthesis data from journal articles for comprehensive database creation. We evaluated our framework using 100 journal articles against 10 different LLMs, including both open-source and proprietary models, to extract highly complex compositions associated with ceramic piezoelectric materials and corresponding piezoelectric strain coefficients (d33), motivated by the lack of a large dataset for such materials. DeepSeek-V3-0324 outperformed all models with a significant overall accuracy of 0.82. This framework provides a simple, user-friendly, readily-usable package for extracting highly complex experimental data buried in the literature to build machine learning or deep learning datasets.

Automated text simplification aims to produce simple versions of complex texts. This task is especially useful in the medical domain, where the latest medical findings are typically communicated via complex and technical articles. This creates barriers for laypeople seeking access to up-to-date medical findings, consequently impeding progress on health literacy. Most existing work on medical text simplification has focused on monolingual settings, with the result that such evidence would be available only in just one language (most often, English). This work addresses this limitation via multilingual simplification, i.e., directly simplifying complex texts into simplified texts in multiple languages. We introduce MultiCochrane, the first sentence-aligned multilingual text simplification dataset for the medical domain in four languages: English, Spanish, French, and Farsi. We evaluate fine-tuned and zero-shot models across these languages, with extensive human assessments and analyses. Although models can now generate viable simplified texts, we identify outstanding challenges that this dataset might be used to address.

Large Language Models (LLMs) have demonstrated a powerful ability for text generation. However, achieving optimal results with a given prompt or instruction can be challenging, especially for billion-sized models. Additionally, undesired behaviors such as toxicity or hallucinations can manifest. While much larger models (e.g., ChatGPT) may demonstrate strength in mitigating these issues, there is still no guarantee of complete prevention. In this work, we propose formalizing text generation as a future-constrained generation problem to minimize undesirable behaviors and enforce faithfulness to instructions. The estimation of future constraint satisfaction, accomplished using LLMs, guides the text generation process. Our extensive experiments demonstrate the effectiveness of the proposed approach across three distinct text generation tasks: keyword-constrained generation (Lin et al., 2020), toxicity reduction (Gehman et al., 2020), and factual correctness in question-answering (Gao et al., 2023).

Lexically constrained text generation is one of the constrained text generation tasks, which aims to generate text that covers all the given constraint lexicons. While the existing approaches tackle this problem using a lexically constrained beam search algorithm or dedicated model using non-autoregressive decoding, there is a trade-off between the generated text quality and the hard constraint satisfaction. We introduce AutoTemplate, a simple yet effective lexically constrained text generation framework divided into template generation and lexicalization tasks. The template generation is to generate the text with the placeholders, and lexicalization replaces them into the constraint lexicons to perform lexically constrained text generation. We conducted the experiments on two tasks: keywords-to-sentence generations and entity-guided summarization. Experimental results show that the AutoTemplate outperforms the competitive baselines on both tasks while satisfying the hard lexical constraints.

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.

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.

We apply category theory to extract multimodal document structure which leads us to develop information theoretic measures, content summarization and extension, and self-supervised improvement of large pretrained models. We first develop a mathematical representation of a document as a category of question-answer pairs. Second, we develop an orthogonalization procedure to divide the information contained in one or more documents into non-overlapping pieces. The structures extracted in the first and second steps lead us to develop methods to measure and enumerate the information contained in a document. We also build on those steps to develop new summarization techniques, as well as to develop a solution to a new problem viz. exegesis resulting in an extension of the original document. Our question-answer pair methodology enables a novel rate distortion analysis of summarization techniques. We implement our techniques using large pretrained models, and we propose a multimodal extension of our overall mathematical framework. Finally, we develop a novel self-supervised method using RLVR to improve large pretrained models using consistency constraints such as composability and closure under certain operations that stem naturally from our category theoretic framework.

Despite the significant strides made by generative AI in just a few short years, its future progress is constrained by the challenge of building modular and robust systems. This capability has been a cornerstone of past technological revolutions, which relied on combining components to create increasingly sophisticated and reliable systems. Cars, airplanes, computers, and software consist of components-such as engines, wheels, CPUs, and libraries-that can be assembled, debugged, and replaced. A key tool for building such reliable and modular systems is specification: the precise description of the expected behavior, inputs, and outputs of each component. However, the generality of LLMs and the inherent ambiguity of natural language make defining specifications for LLM-based components (e.g., agents) both a challenging and urgent problem. In this paper, we discuss the progress the field has made so far-through advances like structured outputs, process supervision, and test-time compute-and outline several future directions for research to enable the development of modular and reliable LLM-based systems through improved specifications.

As the volume of peer-reviewed research surges, scholars increasingly rely on social platforms for discovery, while authors invest considerable effort in promoting their work to ensure visibility and citations. To streamline this process and reduce the reliance on human effort, we introduce Automatic Promotion (AutoPR), a novel task that transforms research papers into accurate, engaging, and timely public content. To enable rigorous evaluation, we release PRBench, a multimodal benchmark that links 512 peer-reviewed articles to high-quality promotional posts, assessing systems along three axes: Fidelity (accuracy and tone), Engagement (audience targeting and appeal), and Alignment (timing and channel optimization). We also introduce PRAgent, a multi-agent framework that automates AutoPR in three stages: content extraction with multimodal preparation, collaborative synthesis for polished outputs, and platform-specific adaptation to optimize norms, tone, and tagging for maximum reach. When compared to direct LLM pipelines on PRBench, PRAgent demonstrates substantial improvements, including a 604% increase in total watch time, a 438% rise in likes, and at least a 2.9x boost in overall engagement. Ablation studies show that platform modeling and targeted promotion contribute the most to these gains. Our results position AutoPR as a tractable, measurable research problem and provide a roadmap for scalable, impactful automated scholarly communication.