Daily Papers

Large language model (LLM) powered AI agents have emerged as a promising paradigm for autonomous problem-solving, yet they continue to struggle with complex, multi-step real-world tasks that demand domain-specific procedural knowledge. Reusable agent skills, which encapsulate successful problem-solving strategies, offer a natural remedy by enabling agents to build on prior experience. However, curating such skills has largely remained a manual endeavor, requiring human experts to distill rich domain knowledge into actionable guidelines. In this work, we present Multi-agent INduction and Deduction for Skills (MIND-Skill), a framework that automatically induces generalizable skills from successful trajectories with robust quality guarantees. MIND-Skill consists of an induction agent which is tasked to abstract reusable skills from successful trajectories, and a deduction agent which aims to reconstruct trajectories by following the induced skills. To guarantee the quality of the generated skills, we introduce a reconstruction loss that compares input and reconstructed trajectories, an outcome loss that enforces the correctness of the reconstructed trajectories, and a rubric loss that assesses the documentation quality and regularizes the abstraction level of the generated skills according to predefined criteria. These textual losses are jointly optimized with TextGrad, and the resulting skills are evaluated on held-out tasks unseen during optimization. Experiments on AppWorld and BFCL-v3 show that MIND-Skill consistently outperforms concurrent skill generation methods.

Agents are predominantly evaluated and optimized via task success metrics, which are coarse, rely on manual design from experts, and fail to reward intermediate emergent behaviors. We propose AutoLibra, a framework for agent evaluation, that transforms open-ended human feedback, e.g., "If you find that the button is disabled, don't click it again", or "This agent has too much autonomy to decide what to do on its own", into metrics for evaluating fine-grained behaviors in agent trajectories. AutoLibra accomplishes this by grounding feedback to an agent's behavior, clustering similar positive and negative behaviors, and creating concrete metrics with clear definitions and concrete examples, which can be used for prompting LLM-as-a-Judge as evaluators. We further propose two meta-metrics to evaluate the alignment of a set of (induced) metrics with open feedback: "coverage" and "redundancy". Through optimizing these meta-metrics, we experimentally demonstrate AutoLibra's ability to induce more concrete agent evaluation metrics than the ones proposed in previous agent evaluation benchmarks and discover new metrics to analyze agents. We also present two applications of AutoLibra in agent improvement: First, we show that AutoLibra-induced metrics serve as better prompt-engineering targets than the task success rate on a wide range of text game tasks, improving agent performance over baseline by a mean of 20%. Second, we show that AutoLibra can iteratively select high-quality fine-tuning data for web navigation agents. Our results suggest that AutoLibra is a powerful task-agnostic tool for evaluating and improving language agents.

While large language models (LLMs) have been thoroughly evaluated for deductive and inductive reasoning, their proficiency in abductive reasoning and holistic rule learning in interactive environments remains less explored. This work introduces RULEARN, a novel benchmark specifically designed to assess the rule-learning ability of LLMs in interactive settings. In RULEARN, agents interact with the environment to gather observations and discern patterns, using these insights to solve problems. To further enhance the rule-learning capabilities of LLM agents within this benchmark, we propose IDEA agent, which integrates Induction, Deduction, and Abduction processes. IDEA agent refines this approach by leveraging a structured reasoning sequence: generating hypotheses through abduction, testing them via deduction, and refining them based on feedback from induction. This sequence enables agents to dynamically establish and apply rules, mimicking human-like reasoning processes. Our evaluation of five representative LLMs indicates that while these models can generate plausible initial hypotheses, they often struggle with strategic interaction within the environment, effective incorporation of feedback, and adaptive refinement of their hypotheses. IDEA agent demonstrates significantly improved performance on the RULEARN benchmark, offering valuable insights for the development of agents capable of human-like rule-learning in real-world scenarios. We will release our code and data.

To succeed in common digital tasks such as web navigation, agents must carry out a variety of specialized tasks such as searching for products or planning a travel route. To tackle these tasks, agents can bootstrap themselves by learning task-specific skills online through interaction with the web environment. In this work, we demonstrate that programs are an effective representation for skills. We propose agent skill induction (ASI), which allows agents to adapt themselves by inducing, verifying, and utilizing program-based skills on the fly. We start with an evaluation on the WebArena agent benchmark and show that ASI outperforms the static baseline agent and its text-skill counterpart by 23.5% and 11.3% in success rate, mainly thanks to the programmatic verification guarantee during the induction phase. ASI also improves efficiency by reducing 10.7-15.3% of the steps over baselines, by composing primitive actions (e.g., click) into higher-level skills (e.g., search product). We then highlight the efficacy of ASI in remaining efficient and accurate under scaled-up web activities. Finally, we examine the generalizability of induced skills when transferring between websites, and find that ASI can effectively reuse common skills, while also updating incompatible skills to versatile website changes.

Large language models (LLMs) have demonstrated an impressive ability to role-play humans and replicate complex social dynamics. While large-scale social simulations are gaining increasing attention, they still face significant challenges, particularly regarding high time and computation costs. Existing solutions, such as distributed mechanisms or hybrid agent-based model (ABM) integrations, either fail to address inference costs or compromise accuracy and generalizability. To this end, we propose EcoLANG: Efficient and Effective Agent Communication Language Induction for Social Simulation. EcoLANG operates in two stages: (1) language evolution, where we filter synonymous words and optimize sentence-level rules through natural selection, and (2) language utilization, where agents in social simulations communicate using the evolved language. Experimental results demonstrate that EcoLANG reduces token consumption by over 20%, enhancing efficiency without sacrificing simulation accuracy.

As AI agents move from chat interfaces to systems that read private data, call tools, and execute multi-step workflows, guardrails become a last line of defense against concrete deployment harms. In these settings, guardrail failures are no longer merely answer-quality errors: they can leak secrets, authorize unsafe actions, or block legitimate work. The hardest failures are often contextual: whether an action is acceptable depends on local privacy norms, organizational policies, and user expectations that resist pre-deployment specification. This creates a practical gap: guardrails must adapt to their own operating environments, yet deployment feedback is typically limited to sparse, noisy user-reported failures, and repeated fine-tuning is often impractical. To address this gap, we propose LiSA (Lifelong Safety Adaptation), a conservative policy induction framework that improves a fixed base guardrail through structured memory. LiSA converts occasional failures into reusable policy abstractions so that sparse reports can generalize beyond individual cases, adds conflict-aware local rules to prevent overgeneralization in mixed-label contexts, and applies evidence-aware confidence gating via a posterior lower bound, so that memory reuse scales with accumulated evidence rather than empirical accuracy alone. Across PrivacyLens+, ConFaide+, and AgentHarm, LiSA consistently outperforms strong memory-based baselines under sparse feedback, remains robust under noisy user feedback even at 20% label-flip rates, and pushes the latency--performance frontier beyond backbone model scaling. Ultimately, LiSA offers a practical path to secure AI agents against the unpredictable long tail of real-world edge risks.

Skills are a promising way to improve LLM agent capabilities without retraining, while keeping the added procedure reusable and controllable. However, high-quality skills are still largely written by hand. We introduce SkillGen, a multi-agent framework that synthesizes a single auditable skill from trajectories generated by a base agent. The output is a human-readable artifact that can be inspected before use. Rather than merely summarizing trajectories, SkillGen leverages contrastive induction over both successful and failed trajectories to identify reusable success patterns, recurring failure modes, and behaviors that appear in nearby successes but are missing from failures. SkillGen then generates candidate skills and iteratively refines the skill. A key novelty in SkillGen is that we model agent skills as interventions to empirically verify the net effect of skills on the overall performance. Specifically, we compare outcomes on the same instances with and without the skill, so that we account for both repairs (cases where the skill fixes a baseline failure) and regressions (cases where the skill breaks a baseline success). Across a broad range of agents and datasets, SkillGen consistently improves held-out performance, outperforms existing skill-generation baselines, and produces skills that transfer across models.

Large language model (LLM) agents now execute long, tool-using tasks where final outcome checks can arrive too late for intervention. Online warning requires lightweight prefix monitors over heterogeneous traces, but hand-authored event schemas are brittle and deployment-time LLM judging is costly. We introduce PrefixGuard, a trace-to-monitor framework with an offline StepView induction step followed by supervised monitor training. StepView induces deterministic typed-step adapters from raw trace samples, and the monitor learns an event abstraction and prefix-risk scorer from terminal outcomes. Across WebArena, τ^2-Bench, SkillsBench, and TerminalBench, the strongest PrefixGuard monitors reach 0.900/0.710/0.533/0.557 AUPRC. Using the strongest backend within each representation, they improve over raw-text controls by an average of +0.137 AUPRC. LLM judges remain substantially weaker under the same prefix-warning protocol. We also derive an observability ceiling on score-based area under the precision-recall curve (AUPRC) that separates monitor error from failures lacking evidence in the observed prefix. For finite-state audit, post-hoc deterministic finite automaton (DFA) extraction remains compact on WebArena and τ^2-Bench (29 and 20 states) but expands to 151 and 187 states on SkillsBench and TerminalBench. Finally, first-alert diagnostics show that strong ranking does not imply deployment utility: WebArena ranks well yet fails to support low-false-alarm alerts, whereas τ^2-Bench and TerminalBench retain more actionable early alerts. Together, these results position PrefixGuard as a practical monitor-synthesis recipe with explicit diagnostics for when prefix warnings translate into actionable interventions.

Tool-using LLM agents increasingly coordinate real workloads by selecting and chaining third-party tools based on text-visible metadata such as tool names, descriptions, and return messages. We show that this convenience creates a supply-chain attack surface: a malicious MCP tool server can be co-registered alongside normal tools and induce overthinking loops, where individually trivial or plausible tool calls compose into cyclic trajectories that inflate end-to-end tokens and latency without any single step looking abnormal. We formalize this as a structural overthinking attack, distinguishable from token-level verbosity, and implement 14 malicious tools across three servers that trigger repetition, forced refinement, and distraction. Across heterogeneous registries and multiple tool-capable models, the attack causes severe resource amplification (up to 142.4times tokens) and can degrade task outcomes. Finally, we find that decoding-time concision controls do not reliably prevent loop induction, suggesting defenses should reason about tool-call structure rather than tokens alone.

With increasing demand for and adoption of virtual assistants, recent work has investigated ways to accelerate bot schema design through the automatic induction of intents or the induction of slots and dialogue states. However, a lack of dedicated benchmarks and standardized evaluation has made progress difficult to track and comparisons between systems difficult to make. This challenge track, held as part of the Eleventh Dialog Systems Technology Challenge, introduces a benchmark that aims to evaluate methods for the automatic induction of customer intents in a realistic setting of customer service interactions between human agents and customers. We propose two subtasks for progressively tackling the automatic induction of intents and corresponding evaluation methodologies. We then present three datasets suitable for evaluating the tasks and propose simple baselines. Finally, we summarize the submissions and results of the challenge track, for which we received submissions from 34 teams.

Reinforcement learning (RL) has emerged as the predominant paradigm for training large language model (LLM)-based AI agents. However, existing backbone RL algorithms lack verified convergence guarantees in agentic scenarios, especially in multi-turn settings, which can lead to training instability and failure to converge to optimal policies. In this paper, we systematically analyze how different combinations of policy update mechanisms and advantage estimation methods affect convergence properties in single/multi-turn scenarios. We find that REINFORCE with Group Relative Advantage Estimation (GRAE) can converge to the globally optimal under undiscounted conditions, but the combination of PPO & GRAE breaks PPO's original monotonic improvement property. Furthermore, we demonstrate that mainstream backbone RL algorithms cannot simultaneously achieve both critic-free and convergence guarantees in multi-turn scenarios. To address this, we propose SeeUPO (Sequence-level Sequential Update Policy Optimization), a critic-free approach with convergence guarantees for multi-turn interactions. SeeUPO models multi-turn interaction as sequentially executed multi-agent bandit problems. Through turn-by-turn sequential policy updates in reverse execution order, it ensures monotonic improvement and convergence to global optimal solution via backward induction. Experiments on AppWorld and BFCL v4 demonstrate SeeUPO's substantial improvements over existing backbone algorithms: relative gains of 43.3%-54.6% on Qwen3-14B and 24.1%-41.9% on Qwen2.5-14B (averaged across benchmarks), along with superior training stability.

Conversational tutoring systems (CTSs) offer learning experiences driven by natural language interaction. They are known to promote high levels of cognitive engagement and benefit learning outcomes, particularly in reasoning tasks. Nonetheless, the time and cost required to author CTS content is a major obstacle to widespread adoption. In this paper, we introduce a novel type of CTS that leverages the recent advances in large language models (LLMs) in two ways: First, the system induces a tutoring script automatically from a lesson text. Second, the system automates the script orchestration via two LLM-based agents (Ruffle&Riley) with the roles of a student and a professor in a learning-by-teaching format. The system allows a free-form conversation that follows the ITS-typical inner and outer loop structure. In an initial between-subject online user study (N = 100) comparing Ruffle&Riley to simpler QA chatbots and reading activity, we found no significant differences in post-test scores. Nonetheless, in the learning experience survey, Ruffle&Riley users expressed higher ratings of understanding and remembering and further perceived the offered support as more helpful and the conversation as coherent. Our study provides insights for a new generation of scalable CTS technologies.

The pursuit of artificial agents that can learn to master complex environments has led to remarkable successes, yet prevailing deep reinforcement learning methods often rely on immense experience, encoding their knowledge opaquely within neural network weights. We propose a different paradigm, one in which an agent learns to play by reasoning and planning. We introduce Cogito, ergo ludo (CEL), a novel agent architecture that leverages a Large Language Model (LLM) to build an explicit, language-based understanding of its environment's mechanics and its own strategy. Starting from a tabula rasa state with no prior knowledge (except action set), CEL operates on a cycle of interaction and reflection. After each episode, the agent analyzes its complete trajectory to perform two concurrent learning processes: Rule Induction, where it refines its explicit model of the environment's dynamics, and Strategy and Playbook Summarization, where it distills experiences into an actionable strategic playbook. We evaluate CEL on diverse grid-world tasks (i.e., Minesweeper, Frozen Lake, and Sokoban), and show that the CEL agent successfully learns to master these games by autonomously discovering their rules and developing effective policies from sparse rewards. Ablation studies confirm that the iterative process is critical for sustained learning. Our work demonstrates a path toward more general and interpretable agents that not only act effectively but also build a transparent and improving model of their world through explicit reasoning on raw experience.

Reusable skills have become a core substrate for improving agent capabilities, yet most existing skill packages encode reusable behavior primarily as textual prompts, executable code, or learned routines. For visual agents, however, procedural knowledge is inherently multimodal: reuse depends not only on what operation to perform, but also on recognizing the relevant state, interpreting visual evidence of progress or failure, and deciding what to do next. We formalize this requirement as multimodal procedural knowledge and address three practical challenges: (I) what a multimodal skill package should contain; (II) where such packages can be derived from public interaction experience; and (III) how agents can consult multimodal evidence at inference time without excessive image context or over-anchoring to reference screenshots. We introduce MMSkills, a framework for representing, generating, and using reusable multimodal procedures for runtime visual decision making. Each MMSkill is a compact, state-conditioned package that couples a textual procedure with runtime state cards and multi-view keyframes. To construct these packages, we develop an agentic trajectory-to-skill Generator that transforms public non-evaluation trajectories into reusable multimodal skills through workflow grouping, procedure induction, visual grounding, and meta-skill-guided auditing. To use them, we introduce a branch-loaded multimodal skill agent: selected state cards and keyframes are inspected in a temporary branch, aligned with the live environment, and distilled into structured guidance for the main agent. Experiments across GUI and game-based visual-agent benchmarks show that MMSkills consistently improve both frontier and smaller multimodal agents, suggesting that external multimodal procedural knowledge complements model-internal priors.

Large language models (LLMs) have shown strong empirical gains as self-evolving agents for CUDA kernel generation, driven by feedback-conditioned planning across generations. However, how planning decisions attribute and combine heterogeneous feedback signals remains opaque. Standard end-to-end ablations fail to resolve this question, as iterative planning amplifies early perturbations and conflates feedback effects with trajectory-dependent drift. We introduce CUDAnalyst, a unified analysis layer for controlled, generation-level attribution of planning decisions to feedback components via trajectory freezing and selective feedback injection. CUDAnalyst enables stable generation-level evaluation and principled coalitional-style attribution of feedback effects and interactions. Our results show that explicit planning is beneficial only when feedback is aligned, that effective planning emerges from structured multi-feedback interactions, and that high-level plans from stronger reasoning models can partially transfer to weaker ones. These trends hold across reference backbones, representative workloads, and reference induction regimes, indicating that the identified feedback-to-plan structure is robust within the controlled axes studied.

Role-playing (RP) agents rely on behavioral profiles to act consistently across diverse narrative contexts, yet existing profiles are largely unstructured, non-executable, and weakly validated, leading to brittle agent behavior. We propose Codified Decision Trees (CDT), a data-driven framework that induces an executable and interpretable decision structure from large-scale narrative data. CDT represents behavioral profiles as a tree of conditional rules, where internal nodes correspond to validated scene conditions and leaves encode grounded behavioral statements, enabling deterministic retrieval of context-appropriate rules at execution time. The tree is learned by iteratively inducing candidate scene-action rules, validating them against data, and refining them through hierarchical specialization, yielding profiles that support transparent inspection and principled updates. Across multiple benchmarks, CDT substantially outperforms human-written profiles and prior profile induction methods on 85 characters across 16 artifacts, indicating that codified and validated behavioral representations lead to more reliable agent grounding.

As a typical open-ended generation task, creative writing lacks verifiable reference answers, which has long constrained reward modeling and automatic evaluation due to high human annotation costs, evaluative bias, and coarse feedback signals. To address these challenges, this paper first designs a multi-agent collaborative workflow based on Grounded Theory, performing dimensional decomposition and hierarchical induction of the problem to dynamically produce interpretable and reusable fine-grained criteria. Furthermore, we propose the Memory-augmented Replay Policy Optimization (MRPO) algorithm: on the one hand, without additional training, MRPO guides models to engage in self-reflection based on dynamic criteria, enabling controlled iterative improvement; on the other hand, we adopt the training paradigm that combines supervised fine-tuning with reinforcement learning to convert evaluation criteria into reward signals, achieving end-to-end optimization. Experimental results demonstrate that the automatically constructed criteria achieve performance gains comparable to human annotations. Writer-R1-4B models trained with this approach outperform baselines across multiple creative writing tasks and surpass some 100B+ parameter open-source models.

Reinforcement learning (RL) has become a central post-training tool for improving the reasoning abilities of large language models (LLMs). In these systems, the rollout, the trajectory sampled from a prompt to termination, including intermediate reasoning steps and optional tool or environment interactions, determines the data the optimizer learns from, yet rollout design is often underreported. This survey provides an optimizer-agnostic view of rollout strategies for RL-based post-training of reasoning LLMs. We formalize rollout pipelines with unified notation and introduce Generate-Filter-Control-Replay (GFCR), a lifecycle taxonomy that decomposes rollout pipelines into four modular stages: Generate proposes candidate trajectories and topologies; Filter constructs intermediate signals via verifiers, judges, critics; Control allocates compute and makes continuation/branching/stopping decisions under budgets; and Replay retains and reuses artifacts across rollouts without weight updates, including self-evolving curricula that autonomously generate new training tasks. We complement GFCR with a criterion taxonomy of reliability, coverage, and cost sensitivity that characterizes rollout trade-offs. Using this framework, we synthesize methods spanning RL with verifiable rewards, process supervision, judge-based gating, guided and tree/segment rollouts, adaptive compute allocation, early-exit and partial rollouts, throughput optimization, and replay/recomposition for self-improvement. We ground the framework with case studies in math, code/SQL, multimodal reasoning, tool-using agents, and agentic skill benchmarks that evaluate skill induction, reuse, and cross-task transfer. Finally, we provide a diagnostic index that maps common rollout pathologies to GFCR modules and mitigation levers, alongside open challenges for building reproducible, compute-efficient, and trustworthy rollout pipelines.

We introduce GenAgent, unifying visual understanding and generation through an agentic multimodal model. Unlike unified models that face expensive training costs and understanding-generation trade-offs, GenAgent decouples these capabilities through an agentic framework: understanding is handled by the multimodal model itself, while generation is achieved by treating image generation models as invokable tools. Crucially, unlike existing modular systems constrained by static pipelines, this design enables autonomous multi-turn interactions where the agent generates multimodal chains-of-thought encompassing reasoning, tool invocation, judgment, and reflection to iteratively refine outputs. We employ a two-stage training strategy: first, cold-start with supervised fine-tuning on high-quality tool invocation and reflection data to bootstrap agent behaviors; second, end-to-end agentic reinforcement learning combining pointwise rewards (final image quality) and pairwise rewards (reflection accuracy), with trajectory resampling for enhanced multi-turn exploration. GenAgent significantly boosts base generator(FLUX.1-dev) performance on GenEval++ (+23.6\%) and WISE (+14\%). Beyond performance gains, our framework demonstrates three key properties: 1) cross-tool generalization to generators with varying capabilities, 2) test-time scaling with consistent improvements across interaction rounds, and 3) task-adaptive reasoning that automatically adjusts to different tasks. Our code will be available at https://github.com/deep-kaixun/GenAgent{this url}.

Mechanism-targeted synthetic data is increasingly proposed as a way to steer pretraining toward desirable capabilities, but it remains unclear how such interventions should be evaluated. We study this question for in-context learning (ICL) under matched compute (iso-FLOPs) using Bi-Induct, a lightweight data rewrite that interleaves short directional copy snippets into a natural pretraining stream: forward-copy (induction), backward-copy (anti-induction, as a directional control), or a balanced mix. Across 0.13B-1B decoder-only models, we evaluate (i) few-shot performance on standard LM benchmarks and function-style ICL probes, (ii) head-level copy telemetry, and (iii) held-out perplexity as a guardrail. Bi-Induct reliably increases induction-head activity, but this does not translate into consistent improvements in few-shot generalization: on standard LM benchmarks, Bi-Induct is largely performance-neutral relative to natural-only training, while on function-style probes the 1B natural-only model performs best. Despite explicit backward-copy cues, anti-induction scores remain near zero across scales, revealing a strong forward/backward asymmetry. Targeted ablations show a sharper distinction: removing the top 2% induction heads per layer harms ICL more than matched random ablations, with the largest relative drop occurring in the natural-only models. This indicates that natural-only training produces more centralized, load-bearing induction circuitry, whereas Bi-Induct tends to create more distributed and redundant induction activity. Our main conclusion is that eliciting a mechanism is not the same as making it load-bearing. For data-centric foundation model design, this suggests that synthetic data interventions should be evaluated not only by signature amplification, but by whether they create causally necessary computation while preserving natural-data modeling quality.

To enhance large language models (LLMs) for chemistry problem solving, several LLM-based agents augmented with tools have been proposed, such as ChemCrow and Coscientist. However, their evaluations are narrow in scope, leaving a large gap in understanding the benefits of tools across diverse chemistry tasks. To bridge this gap, we develop ChemAgent, an enhanced chemistry agent over ChemCrow, and conduct a comprehensive evaluation of its performance on both specialized chemistry tasks and general chemistry questions. Surprisingly, ChemAgent does not consistently outperform its base LLMs without tools. Our error analysis with a chemistry expert suggests that: For specialized chemistry tasks, such as synthesis prediction, we should augment agents with specialized tools; however, for general chemistry questions like those in exams, agents' ability to reason correctly with chemistry knowledge matters more, and tool augmentation does not always help.

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.

Over the last decades, excellent computational chemistry tools have been developed. Their full potential has not yet been reached as most are challenging to learn and exist in isolation. Recently, large-language models (LLMs) have shown strong performance in tasks across domains, but struggle with chemistry-related problems. Moreover, these models lack access to external knowledge sources, limiting their usefulness in scientific applications. In this study, we introduce ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery, and materials design. By integrating 17 expert-designed tools, ChemCrow augments the LLM performance in chemistry, and new capabilities emerge. Our agent autonomously planned the syntheses of an insect repellent, three organocatalysts, as well as other relevant molecules. Our evaluation, including both LLM and expert assessments, demonstrates ChemCrow's effectiveness in automating a diverse set of chemical tasks. Surprisingly, we find that GPT-4 as an evaluator cannot distinguish between clearly wrong GPT-4 completions and Chemcrow's performance. There is a significant risk of misuse of tools like ChemCrow, and we discuss their potential harms. Employed responsibly, our work not only aids expert chemists and lowers barriers for non-experts, but also fosters scientific advancement by bridging the gap between experimental and computational chemistry. A subset of the code is publicly available at https://github.com/ur-whitelab/chemcrow-public.

In-context learning is a powerful emergent ability in transformer models. Prior work in mechanistic interpretability has identified a circuit element that may be critical for in-context learning -- the induction head (IH), which performs a match-and-copy operation. During training of large transformers on natural language data, IHs emerge around the same time as a notable phase change in the loss. Despite the robust evidence for IHs and this interesting coincidence with the phase change, relatively little is known about the diversity and emergence dynamics of IHs. Why is there more than one IH, and how are they dependent on each other? Why do IHs appear all of a sudden, and what are the subcircuits that enable them to emerge? We answer these questions by studying IH emergence dynamics in a controlled setting by training on synthetic data. In doing so, we develop and share a novel optogenetics-inspired causal framework for modifying activations throughout training. Using this framework, we delineate the diverse and additive nature of IHs. By clamping subsets of activations throughout training, we then identify three underlying subcircuits that interact to drive IH formation, yielding the phase change. Furthermore, these subcircuits shed light on data-dependent properties of formation, such as phase change timing, already showing the promise of this more in-depth understanding of subcircuits that need to "go right" for an induction head.

The modeling of industrial scenes is essential for simulations in industrial manufacturing. While large language models (LLMs) have shown significant progress in generating general 3D scenes from textual descriptions, generating industrial scenes with LLMs poses a unique challenge due to their demand for precise measurements and positioning, requiring complex planning over spatial arrangement. To address this challenge, we introduce SceneGenAgent, an LLM-based agent for generating industrial scenes through C# code. SceneGenAgent ensures precise layout planning through a structured and calculable format, layout verification, and iterative refinement to meet the quantitative requirements of industrial scenarios. Experiment results demonstrate that LLMs powered by SceneGenAgent exceed their original performance, reaching up to 81.0% success rate in real-world industrial scene generation tasks and effectively meeting most scene generation requirements. To further enhance accessibility, we construct SceneInstruct, a dataset designed for fine-tuning open-source LLMs to integrate into SceneGenAgent. Experiments show that fine-tuning open-source LLMs on SceneInstruct yields significant performance improvements, with Llama3.1-70B approaching the capabilities of GPT-4o. Our code and data are available at https://github.com/THUDM/SceneGenAgent .

Small language models are attractive for production deployment due to their low cost, fast inference, and ease of specialization. However, adapting them to a specific task remains a challenging engineering loop, driven not by training itself but by surrounding decisions: data curation, failure diagnosis, regression avoidance, and iteration control. We present Pioneer Agent, a closed-loop system that automates this lifecycle. In cold-start mode, given only a natural-language task description, the agent acquires data, constructs evaluation sets, and iteratively trains models by jointly optimizing data, hyperparameters, and learning strategy. In production mode, given a deployed model with labeled failures, it diagnoses error patterns, constructs targeted training data, and retrains under explicit regression constraints. To evaluate this setting, we introduce AdaptFT-Bench, a benchmark of synthetic inference logs with progressively increasing noise, designed to test the full adaptation loop: diagnosis, curriculum synthesis, retraining, and verification. Across eight cold-start benchmarks spanning reasoning, math, code generation, summarization, and classification, Pioneer Agent improves over base models by 1.6-83.8 points. On AdaptFT-Bench, it improves or preserves performance in all seven scenarios, while naive retraining degrades by up to 43 points. On two production-style deployments built from public benchmark tasks, it raises intent classification from 84.9% to 99.3% and Entity F1 from 0.345 to 0.810. Beyond performance gains, the agent often discovers effective training strategies, including chain-of-thought supervision, task-specific optimization, and quality-focused data curation, purely from downstream feedback.

AI agents hold growing promise for accelerating scientific discovery; yet, a lack of frontier evaluations hinders adoption into real workflows. Expert-written benchmarks have proven effective at measuring AI reasoning, but most at this stage have become saturated and only measure performance on constrained outputs. To help address this gap, we introduce COMPOSITE-STEM, a benchmark of 70 expert-written tasks in physics, biology, chemistry, and mathematics, curated by doctoral-level researchers. Our benchmark combines exact-match grading and criterion-based rubrics with an LLM-as-a-jury grading protocol, allowing more flexible assessment of scientifically meaningful outputs. Using an adapted multimodal Terminus-2 agent harness within the Harbor agentic evaluation framework, we evaluate four frontier models. The top-performing model achieves 21%, demonstrating that COMPOSITE-STEM captures capabilities beyond current agent reach. All tasks are open-sourced with contributor permission to support reproducibility and to promote additional research towards AI's acceleration of scientific progress in these domains.

Frontier scientific reasoning is rapidly emerging as a key foundation for advancing AI agents in automated scientific discovery. Deep research agents offer a promising approach to this challenge. These models develop robust problem-solving capabilities through post-training on information-seeking tasks, which are typically curated via knowledge graph construction or iterative web browsing. However, these strategies face inherent limitations in frontier science, where domain-specific knowledge is scattered across sparse and heterogeneous academic sources, and problem solving requires sophisticated computation and reasoning far beyond factual recall. To bridge this gap, we introduce SciResearcher, a fully automated agentic framework for frontier-science data construction. SciResearcher synthesizes diverse conceptual and computational tasks grounded in academic evidence, while eliciting information acquisition, tool-integrated reasoning, and long-horizon capabilities. Leveraging the curated data for supervised fine-tuning and agentic reinforcement learning, we develop SciResearcher-8B, an agent foundation model that achieves 19.46% on the HLE-Bio/Chem-Gold benchmark, establishing a new state of the art at its parameter scale and surpassing several larger proprietary agents. It further achieves 13-15% absolute gains on SuperGPQA-Hard-Biology and TRQA-Literature benchmarks. Overall, SciResearcher introduces a new paradigm for automated data construction for frontier scientific reasoning and offers a scalable path toward future scientific agents.

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/.

The application of advanced generative artificial intelligence in education is often constrained by the lack of real-time adaptability, personalization, and reliability of the content. To address these challenges, we propose ExpertAgent - an intelligent agent framework designed for personalized education that provides reliable knowledge and enables highly adaptive learning experiences. Therefore, we developed ExpertAgent, an innovative learning agent that provides users with a proactive and personalized learning experience. ExpertAgent dynamic planning of the learning content and strategy based on a continuously updated student model. Therefore, overcoming the limitations of traditional static learning content to provide optimized teaching strategies and learning experience in real time. All instructional content is grounded in a validated curriculum repository, effectively reducing hallucination risks in large language models and improving reliability and trustworthiness.

We present the Process Engineering Operations Assistant (PEOA), an AI-driven framework designed to solve complex problems in the chemical and process industries. The framework employs a modular architecture orchestrated by a meta-agent, which serves as the central coordinator, managing an action generator and instruction-tuned small-scale language models (expert models). The action generator decomposes complex problems into sub-tasks and identifies suitable expert models to execute each, delivering precise solutions for multi-step problem-solving. Key techniques include advanced knowledge modeling using property graphs for improved information retrieval, facilitating more accurate and contextually relevant solutions. Additionally, the framework utilizes a teacher-student transfer-learning approach with GPT-4 (Omni) to fine-tune the action generator and expert models for domain adaptation, alongside an iterative problem-solving mechanism with sophisticated error handling. Custom datasets were developed to evaluate the framework against leading proprietary language models on various engineering tasks. The results demonstrate the framework effectiveness in automating calculations, accelerating prototyping, and providing AI-augmented decision support for industrial processes, marking a significant advancement in process engineering capabilities.

We present Deep Researcher Agent, an open-source framework that enables large language model (LLM) agents to autonomously conduct deep learning experiments around the clock. Unlike existing AI research assistants that focus on paper writing or code generation, our system addresses the full experiment lifecycle: hypothesis formation, code implementation, training execution, result analysis, and iterative refinement. The framework introduces three key innovations: (1) Zero-Cost Monitoring -- a monitoring paradigm that incurs zero LLM API costs during model training by relying solely on process-level checks and log file reads; (2) Two-Tier Constant-Size Memory -- a memory architecture capped at sim5K characters regardless of runtime duration, preventing the unbounded context growth that plagues long-running agents; and (3) Minimal-Toolset Leader-Worker Architecture -- a multi-agent design where each worker agent is equipped with only 3--5 tools, reducing per-call token overhead by up to 73\%. In sustained deployments spanning 30+ days, the framework autonomously completed 500+ experiment cycles across four concurrent research projects, achieving a 52\% improvement over baseline metrics in one project through 200+ automated experiments -- all at an average LLM cost of \$0.08 per 24-hour cycle. Code is available at https://github.com/Xiangyue-Zhang/auto-deep-researcher-24x7.

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

The current large language models are mainly based on decode-only structure transformers, which have great in-context learning (ICL) capabilities. It is generally believed that the important foundation of its ICL capability is the induction heads mechanism, which requires at least two layers attention. In order to more efficiently implement the ability of the model's induction, we revisit the induction heads mechanism and proposed a KV shifting attention. We theoretically prove that the KV shifting attention reducing the model's requirements for the depth and width of the induction heads mechanism. Our experimental results demonstrate that KV shifting attention is beneficial to learning induction heads and language modeling, which lead to better performance or faster convergence from toy models to the pre-training models with more than 10 B parameters.

Graphical User Interface (GUI) Agents, powered by multimodal large language models (MLLMs), have shown great potential for task automation on computing devices such as computers and mobile phones. However, existing agents face challenges in multi-step reasoning and reliance on textual annotations, limiting their effectiveness. We introduce InfiGUIAgent, an MLLM-based GUI Agent trained with a two-stage supervised fine-tuning pipeline. Stage 1 enhances fundamental skills such as GUI understanding and grounding, while Stage 2 integrates hierarchical reasoning and expectation-reflection reasoning skills using synthesized data to enable native reasoning abilities of the agents. InfiGUIAgent achieves competitive performance on several GUI benchmarks, highlighting the impact of native reasoning skills in enhancing GUI interaction for automation tasks. Resources are available at https://github.com/Reallm-Labs/InfiGUIAgent.

We introduce InternAgent-1.5, a unified system designed for end-to-end scientific discovery across computational and empirical domains. The system is built on a structured architecture composed of three coordinated subsystems for generation, verification, and evolution. These subsystems are supported by foundational capabilities for deep research, solution optimization, and long horizon memory. The architecture allows InternAgent-1.5 to operate continuously across extended discovery cycles while maintaining coherent and improving behavior. It also enables the system to coordinate computational modeling and laboratory experimentation within a single unified system. We evaluate InternAgent-1.5 on scientific reasoning benchmarks such as GAIA, HLE, GPQA, and FrontierScience, and the system achieves leading performance that demonstrates strong foundational capabilities. Beyond these benchmarks, we further assess two categories of discovery tasks. In algorithm discovery tasks, InternAgent-1.5 autonomously designs competitive methods for core machine learning problems. In empirical discovery tasks, it executes complete computational or wet lab experiments and produces scientific findings in earth, life, biological, and physical domains. Overall, these results show that InternAgent-1.5 provides a general and scalable framework for autonomous scientific discovery.

"Induction heads" are attention heads that implement a simple algorithm to complete token sequences like [A][B] ... [A] -> [B]. In this work, we present preliminary and indirect evidence for a hypothesis that induction heads might constitute the mechanism for the majority of all "in-context learning" in large transformer models (i.e. decreasing loss at increasing token indices). We find that induction heads develop at precisely the same point as a sudden sharp increase in in-context learning ability, visible as a bump in the training loss. We present six complementary lines of evidence, arguing that induction heads may be the mechanistic source of general in-context learning in transformer models of any size. For small attention-only models, we present strong, causal evidence; for larger models with MLPs, we present correlational evidence.

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging from general-purpose "deep research" systems to specialized science-specific agents, such as AI Scientist and AIGS. Rigorous evaluation of these agents is critical for progress. Yet existing benchmarks fall short on several fronts: they (1) fail to provide holistic, product-informed measures of real-world use cases such as science research; (2) lack reproducible agent tools necessary for a controlled comparison of core agentic capabilities; (3) do not account for confounding variables such as model cost and tool access; (4) do not provide standardized interfaces for quick agent prototyping and evaluation; and (5) lack comprehensive baseline agents necessary to identify true advances. In response, we define principles and tooling for more rigorously benchmarking agents. Using these, we present AstaBench, a suite that provides the first holistic measure of agentic ability to perform scientific research, comprising 2400+ problems spanning the entire scientific discovery process and multiple scientific domains, and including many problems inspired by actual user requests to deployed Asta agents. Our suite comes with the first scientific research environment with production-grade search tools that enable controlled, reproducible evaluation, better accounting for confounders. Alongside, we provide a comprehensive suite of nine science-optimized classes of Asta agents and numerous baselines. Our extensive evaluation of 57 agents across 22 agent classes reveals several interesting findings, most importantly that despite meaningful progress on certain individual aspects, AI remains far from solving the challenge of science research assistance.

Generative models have demonstrated substantial promise in Natural Language Processing (NLP) and have found application in designing molecules, as seen in General Pretrained Transformer (GPT) models. In our efforts to develop such a tool for exploring the organic chemical space in search of potentially electro-active compounds, we present "LLamol", a single novel generative transformer model based on the LLama 2 architecture, which was trained on a 13M superset of organic compounds drawn from diverse public sources. To allow for a maximum flexibility in usage and robustness in view of potentially incomplete data, we introduce "Stochastic Context Learning" as a new training procedure. We demonstrate that the resulting model adeptly handles single- and multi-conditional organic molecule generation with up to four conditions, yet more are possible. The model generates valid molecular structures in SMILES notation while flexibly incorporating three numerical and/or one token sequence into the generative process, just as requested. The generated compounds are very satisfactory in all scenarios tested. In detail, we showcase the model's capability to utilize token sequences for conditioning, either individually or in combination with numerical properties, making LLamol a potent tool for de novo molecule design, easily expandable with new properties.

Organic reaction mechanisms are the stepwise elementary reactions by which reactants form intermediates and products, and are fundamental to understanding chemical reactivity and designing new molecules and reactions. Although large language models (LLMs) have shown promise in understanding chemical tasks such as synthesis design, it is unclear to what extent this reflects genuine chemical reasoning capabilities, i.e., the ability to generate valid intermediates, maintain chemical consistency, and follow logically coherent multi-step pathways. We address this by introducing oMeBench, the first large-scale, expert-curated benchmark for organic mechanism reasoning in organic chemistry. It comprises over 10,000 annotated mechanistic steps with intermediates, type labels, and difficulty ratings. Furthermore, to evaluate LLM capability more precisely and enable fine-grained scoring, we propose oMeS, a dynamic evaluation framework that combines step-level logic and chemical similarity. We analyze the performance of state-of-the-art LLMs, and our results show that although current models display promising chemical intuition, they struggle with correct and consistent multi-step reasoning. Notably, we find that using prompting strategy and fine-tuning a specialist model on our proposed dataset increases performance by 50% over the leading closed-source model. We hope that oMeBench will serve as a rigorous foundation for advancing AI systems toward genuine chemical reasoning.

The discovery of novel Ionic Liquids (ILs) is hindered by critical challenges in property prediction, including limited data, poor model accuracy, and fragmented workflows. Leveraging the power of Large Language Models (LLMs), we introduce AIonopedia, to the best of our knowledge, the first LLM agent for IL discovery. Powered by an LLM-augmented multimodal domain foundation model for ILs, AIonopedia enables accurate property predictions and incorporates a hierarchical search architecture for molecular screening and design. Trained and evaluated on a newly curated and comprehensive IL dataset, our model delivers superior performance. Complementing these results, evaluations on literature-reported systems indicate that the agent can perform effective IL modification. Moving beyond offline tests, the practical efficacy was further confirmed through real-world wet-lab validation, in which the agent demonstrated exceptional generalization capabilities on challenging out-of-distribution tasks, underscoring its ability to accelerate real-world IL discovery.

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in Electronic-structure Reasoning (MASTER), an active learning framework where large language models autonomously design, execute, and interpret atomistic simulations. In MASTER, a multimodal system translates natural language into density functional theory workflows, while higher-level reasoning agents guide discovery through a hierarchy of strategies, including a single agent baseline and three multi-agent approaches: peer review, triage-ranking, and triage-forms. Across two chemical applications, CO adsorption on Cu-surface transition metal (M) adatoms and on M-N-C catalysts, reasoning-driven exploration reduces required atomistic simulations by up to 90% relative to trial-and-error selection. Reasoning trajectories reveal chemically grounded decisions that cannot be explained by stochastic sampling or semantic bias. Altogether, multi-agent collaboration accelerates materials discovery and marks a new paradigm for autonomous scientific exploration.

Rapid advancements in large language models (LLMs) have revitalized in LLM-based agents, exhibiting impressive human-like behaviors and cooperative capabilities in various scenarios. However, these agents also bring some exclusive risks, stemming from the complexity of interaction environments and the usability of tools. This paper delves into the safety of LLM-based agents from three perspectives: agent quantity, role definition, and attack level. Specifically, we initially propose to employ a template-based attack strategy on LLM-based agents to find the influence of agent quantity. In addition, to address interaction environment and role specificity issues, we introduce Evil Geniuses (EG), an effective attack method that autonomously generates prompts related to the original role to examine the impact across various role definitions and attack levels. EG leverages Red-Blue exercises, significantly improving the generated prompt aggressiveness and similarity to original roles. Our evaluations on CAMEL, Metagpt and ChatDev based on GPT-3.5 and GPT-4, demonstrate high success rates. Extensive evaluation and discussion reveal that these agents are less robust, prone to more harmful behaviors, and capable of generating stealthier content than LLMs, highlighting significant safety challenges and guiding future research. Our code is available at https://github.com/T1aNS1R/Evil-Geniuses.

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic combination of LLM-based reasoning and large-scale evolutionary search to address complex real-world challenges. The core of FM Agent integrates several key innovations: 1) a cold-start initialization phase incorporating expert guidance, 2) a novel evolutionary sampling strategy for iterative optimization, 3) domain-specific evaluators that combine correctness, effectiveness, and LLM-supervised feedback, and 4) a distributed, asynchronous execution infrastructure built on Ray. Demonstrating broad applicability, our system has been evaluated across diverse domains, including operations research, machine learning, GPU kernel optimization, and classical mathematical problems. FM Agent reaches state-of-the-art results autonomously, without human interpretation or tuning -- 1976.3 on ALE-Bench (+5.2\%), 43.56\% on MLE-Bench (+4.0pp), up to 20x speedups on KernelBench, and establishes new state-of-the-art(SOTA) results on several classical mathematical problems. Beyond academic benchmarks, FM Agent shows considerable promise for both large-scale enterprise R\&D workflows and fundamental scientific research, where it can accelerate innovation, automate complex discovery processes, and deliver substantial engineering and scientific advances with broader societal impact.

AI agents have the potential to aid users on a variety of consequential tasks, including conducting scientific research. To spur the development of useful agents, we need benchmarks that are challenging, but more crucially, directly correspond to real-world tasks of interest. This paper introduces such a benchmark, designed to measure the accuracy of AI agents in tackling a crucial yet surprisingly challenging aspect of scientific research: computational reproducibility. This task, fundamental to the scientific process, involves reproducing the results of a study using the provided code and data. We introduce CORE-Bench (Computational Reproducibility Agent Benchmark), a benchmark consisting of 270 tasks based on 90 scientific papers across three disciplines (computer science, social science, and medicine). Tasks in CORE-Bench consist of three difficulty levels and include both language-only and vision-language tasks. We provide an evaluation system to measure the accuracy of agents in a fast and parallelizable way, saving days of evaluation time for each run compared to a sequential implementation. We evaluated two baseline agents: the general-purpose AutoGPT and a task-specific agent called CORE-Agent. We tested both variants using two underlying language models: GPT-4o and GPT-4o-mini. The best agent achieved an accuracy of 21% on the hardest task, showing the vast scope for improvement in automating routine scientific tasks. Having agents that can reproduce existing work is a necessary step towards building agents that can conduct novel research and could verify and improve the performance of other research agents. We hope that CORE-Bench can improve the state of reproducibility and spur the development of future research agents.

A central challenge of the clean energy transition is the development of catalysts for low-emissions technologies. Recent advances in Machine Learning for quantum chemistry drastically accelerate the computation of catalytic activity descriptors such as adsorption energies. Here we introduce AdsorbRL, a Deep Reinforcement Learning agent aiming to identify potential catalysts given a multi-objective binding energy target, trained using offline learning on the Open Catalyst 2020 and Materials Project data sets. We experiment with Deep Q-Network agents to traverse the space of all ~160,000 possible unary, binary and ternary compounds of 55 chemical elements, with very sparse rewards based on adsorption energy known for only between 2,000 and 3,000 catalysts per adsorbate. To constrain the actions space, we introduce Random Edge Traversal and train a single-objective DQN agent on the known states subgraph, which we find strengthens target binding energy by an average of 4.1 eV. We extend this approach to multi-objective, goal-conditioned learning, and train a DQN agent to identify materials with the highest (respectively lowest) adsorption energies for multiple simultaneous target adsorbates. We experiment with Objective Sub-Sampling, a novel training scheme aimed at encouraging exploration in the multi-objective setup, and demonstrate simultaneous adsorption energy improvement across all target adsorbates, by an average of 0.8 eV. Overall, our results suggest strong potential for Deep Reinforcement Learning applied to the inverse catalysts design problem.

We present Prover Agent, a novel AI agent for automated theorem proving that integrates large language models (LLMs) with a formal proof assistant, Lean. Prover Agent coordinates an informal reasoning LLM, a formal prover model, and feedback from Lean while also generating auxiliary lemmas. These auxiliary lemmas are not limited to subgoals in the formal proof but can also include special cases or potentially useful facts derived from the assumptions, which help in discovering a viable proof strategy. It achieves an 88.1% success rate on the MiniF2F benchmark, establishing a new state-of-the-art among methods using small language models (SLMs) with a much lower sample budget than previous approaches. We also present theoretical analyses and case studies that illustrate how these generated lemmas contribute to solving challenging problems. Our code is publicly available at: https://github.com/kAIto47802/Prover-Agent.

Graph embedding methods such as Graph Neural Networks (GNNs) and Graph Transformers have contributed to the development of graph reasoning algorithms for various tasks on knowledge graphs. However, the lack of interpretability and explainability of graph embedding methods has limited their applicability in scenarios requiring explicit reasoning. In this paper, we introduce the Graph Agent (GA), an intelligent agent methodology of leveraging large language models (LLMs), inductive-deductive reasoning modules, and long-term memory for knowledge graph reasoning tasks. GA integrates aspects of symbolic reasoning and existing graph embedding methods to provide an innovative approach for complex graph reasoning tasks. By converting graph structures into textual data, GA enables LLMs to process, reason, and provide predictions alongside human-interpretable explanations. The effectiveness of the GA was evaluated on node classification and link prediction tasks. Results showed that GA reached state-of-the-art performance, demonstrating accuracy of 90.65%, 95.48%, and 89.32% on Cora, PubMed, and PrimeKG datasets, respectively. Compared to existing GNN and transformer models, GA offered advantages of explicit reasoning ability, free-of-training, easy adaption to various graph reasoning tasks