Daily Papers

The central challenge of AI for Science is not reasoning alone, but the ability to create computational methods in an open-ended scientific world. Existing LLM-based agents rely on static, pre-defined tool libraries, a paradigm that fundamentally fails in scientific domains where tools are sparse, heterogeneous, and intrinsically incomplete. In this paper, we propose Test-Time Tool Evolution (TTE), a new paradigm that enables agents to synthesize, verify, and evolve executable tools during inference. By transforming tools from fixed resources into problem-driven artifacts, TTE overcomes the rigidity and long-tail limitations of static tool libraries. To facilitate rigorous evaluation, we introduce SciEvo, a benchmark comprising 1,590 scientific reasoning tasks supported by 925 automatically evolved tools. Extensive experiments show that TTE achieves state-of-the-art performance in both accuracy and tool efficiency, while enabling effective cross-domain adaptation of computational tools. The code and benchmark have been released at https://github.com/lujiaxuan0520/Test-Time-Tool-Evol.

REST APIs play important roles in enriching the action space of web agents, yet most API-based agents rely on curated and uniform toolsets that do not reflect the complexity of real-world APIs. Building tool-using agents for arbitrary domains remains a major challenge, as it requires reading unstructured API documentation, testing APIs and inferring correct parameters. We propose Doc2Agent, a scalable pipeline to build agents that can call Python-based tools generated from API documentation. Doc2Agent generates executable tools from API documentations and iteratively refines them using a code agent. We evaluate our approach on real-world APIs, WebArena APIs, and research APIs, producing validated tools. We achieved a 55\% relative performance improvement with 90\% lower cost compared to direct API calling on WebArena benchmark. A domain-specific agent built for glycomaterial science further demonstrates the pipeline's adaptability to complex, knowledge-rich tasks. Doc2Agent offers a generalizable solution for building tool agents from unstructured API documentation at scale.

Large Language Models (LLMs) have significantly advanced generative query recommendation. However, while alignment is crucial for tailoring LLMs to human preferences, existing alignment methods primarily focus on standard chatbot scenarios, falling short in on-device intelligent assistants where users predominantly expect the rapid invocation of system-level tools. Moreover, directly aligning LLMs with real-world click logs introduces severe noise due to varying user activity levels and the failure to emphasize execution-oriented queries. To address these challenges, we propose ToolRec, a calibrated preference alignment framework tailored for on-device query recommendation. To ground query recommendation with executable tools, we first construct SysToolKit, a comprehensive repository of 708 system tools, paired with a context-aware tool retrieval mechanism to ensure that the extracted tools closely match the user's intent. A dual-level calibration mechanism is then proposed to refine raw click data, effectively mitigating user behavioral noise by calibrating signals based on user activity (user-level), while simultaneously up-weighting click signals on tool-invoking queries (system-level). Guided by these refined preference signals, we then align the model using a sample-level weighted Kahneman-Tversky Optimization (KTO). Extensive online A/B tests on our mobile assistant platform OPPO Xiaobu, which has over 150 million monthly active users, demonstrate that ToolRec can significantly improve Click-Through Rate (CTR) and total click volume over strong baselines while maintaining high query relevance.

Large language model (LLM)-based agents increasingly rely on tool use to complete real-world tasks. While existing works evaluate the LLMs' tool use capability, they largely focus on the final answers yet overlook the detailed tool usage trajectory, i.e., whether tools are selected, parameterized, and ordered correctly. We introduce TRAJECT-Bench, a trajectory-aware benchmark to comprehensively evaluate LLMs' tool use capability through diverse tasks with fine-grained evaluation metrics. TRAJECT-Bench pairs high-fidelity, executable tools across practical domains with tasks grounded in production-style APIs, and synthesizes trajectories that vary in breadth (parallel calls) and depth (interdependent chains). Besides final accuracy, TRAJECT-Bench also reports trajectory-level diagnostics, including tool selection and argument correctness, and dependency/order satisfaction. Analyses reveal failure modes such as similar tool confusion and parameter-blind selection, and scaling behavior with tool diversity and trajectory length where the bottleneck of transiting from short to mid-length trajectories is revealed, offering actionable guidance for LLMs' tool use.

Large Language Models (LLMs) are evolving from text generators into reasoning agents. This transition makes their ability to use external tools a critical capability. However, evaluating this skill presents a significant challenge. Existing benchmarks are often limited by their reliance on synthetic tools and severely constrained action spaces. To address these limitations, we introduce MCPVerse, an expansive, real-world benchmark for evaluating agentic tool use. MCPVerse integrates more than 550 real-world, executable tools to create an unprecedented action space exceeding 140k tokens, and employs outcome-based evaluation with real-time ground truth for time-sensitive tasks. We benchmarked the state-of-the-art LLMs across three modes (Oracle, Standard, and Max-Scale), revealing that while most models suffer performance degradation when confronted with larger tool sets, the agentic models, such as Claude-4-Sonnet, can effectively leverage expanded exploration spaces to improve accuracy. This finding not only exposes the limitations of state-of-the-art models in complex, real-world scenarios but also establishes MCPVerse as a critical benchmark for measuring and advancing agentic tool use capabilities.

The integration of Large Language Models (LLMs) into the financial domain is driving a paradigm shift from passive information retrieval to dynamic, agentic interaction. While general-purpose tool learning has witnessed a surge in benchmarks, the financial sector, characterized by high stakes, strict compliance, and rapid data volatility, remains critically underserved. Existing financial evaluations predominantly focus on static textual analysis or document-based QA, ignoring the complex reality of tool execution. Conversely, general tool benchmarks lack the domain-specific rigor required for finance, often relying on toy environments or a negligible number of financial APIs. To bridge this gap, we introduce FinToolBench, the first real-world, runnable benchmark dedicated to evaluating financial tool learning agents. Unlike prior works limited to a handful of mock tools, FinToolBench establishes a realistic ecosystem coupling 760 executable financial tools with 295 rigorous, tool-required queries. We propose a novel evaluation framework that goes beyond binary execution success, assessing agents on finance-critical dimensions: timeliness, intent type, and regulatory domain alignment. Furthermore, we present FATR, a finance-aware tool retrieval and reasoning baseline that enhances stability and compliance. By providing the first testbed for auditable, agentic financial execution, FinToolBench sets a new standard for trustworthy AI in finance. The tool manifest, execution environment, and evaluation code will be open-sourced to facilitate future research.

Effective evaluation of multi-hop tool use is critical for analyzing the understanding, reasoning, and function-calling capabilities of large language models (LLMs). However, progress has been hindered by a lack of reliable evaluation datasets. To address this, we present ToolHop, a dataset comprising 995 user queries and 3,912 associated tools, specifically designed for rigorous evaluation of multi-hop tool use. ToolHop ensures diverse queries, meaningful interdependencies, locally executable tools, detailed feedback, and verifiable answers through a novel query-driven data construction approach that includes tool creation, document refinement, and code generation. We evaluate 14 LLMs across five model families (i.e., LLaMA3.1, Qwen2.5, Gemini1.5, Claude3.5, and GPT), uncovering significant challenges in handling multi-hop tool-use scenarios. The leading model, GPT-4o, achieves an accuracy of 49.04%, underscoring substantial room for improvement. Further analysis reveals variations in tool-use strategies for various families, offering actionable insights to guide the development of more effective approaches. Code and data can be found in https://huggingface.co/bytedance-research/ToolHop.

Tools enhance the reasoning capabilities of large language models (LLMs) in complex problem-solving tasks, but not all tasks have available tools. In the absence of predefined tools, prior works have explored instructing LLMs to generate tools on their own. However, such approaches rely heavily on the models' internal knowledge and would fail in domains beyond the LLMs' knowledge scope. To address this limitation, we propose RefTool, a reference-guided framework for automatic tool creation that leverages structured external materials such as textbooks. RefTool consists of two modules: (1) tool creation, where LLMs generate executable tools from reference content, validate them using illustrative examples, and organize them hierarchically into a toolbox; and (2) tool utilization, where LLMs navigate the toolbox structure to select and apply the appropriate tools to solve problems. Experiments on causality, physics, and chemistry benchmarks demonstrate that RefTool outperforms existing tool-creation and domain-specific reasoning methods by 11.3% on average accuracy, while being cost-efficient and broadly generalizable. Analyses reveal that grounding tool creation in references produces accurate and faithful tools, and that the hierarchical structure facilitates effective tool selection. RefTool enables LLMs to overcome knowledge limitations, demonstrating the value of grounding tool creation in external references for enhanced and generalizable reasoning.

Tool-augmented LLMs must arbitrate between two fallible sources when a tool return conflicts with their parametric memory, yet existing evaluations measure source preference without establishing source correctness. We introduce MemToC, a controlled benchmark for post-tool-return arbitration with executable tools. MemToC comprises 6,504 evaluation episodes constructed from 542 quality-controlled factual questions, independently elicited model-specific closed-book answers, and controlled tool returns of known correctness. These components instantiate four source-correctness cases; tool-error and no-tool conditions are separate controls. Across five open-weight 7-9B models, tool returns strongly dominate elicited closed-book answers. The four instruction-tuned models retain a verified-correct answer against an incorrect tool in only 6.5-17.1% of eligible cases, follow a correct tool in 86.0-93.1%, and repeat the tool return in 78.4-86.0% of cases where both sources are wrong. No cross-model ordering remains stable across three instruction-wording variants with the question and episode content held fixed. We compare prompting with SFT and DPO using chain-level cross-fitting over ToolHop, so questions sharing an underlying fact never straddle training and evaluation. We apply an asymmetric success criterion: correct-answer retention must improve without a detected reduction in correct-tool following. SFT and DPO meet this criterion on the same two of four instruction-tuned backbones. Improvements rarely come cleanly: 19 of 20 tested method-model combinations reduce abstention after tool errors or on unanswerable inputs. Transfer beyond MemToC is positive but partial and depends on the model and presentation frame. Correctness-conditioned arbitration can be improved through fine-tuning, but gains must be evaluated jointly with correct tool use, abstention, and robustness to formulation.

Real-world tool-using agents operate over long-horizon workflows with recurring structure and diverse demands, where effective behavior requires not only invoking atomic tools but also abstracting, and reusing higher-level tool compositions. However, existing benchmarks mainly measure instance-level success under static tool sets, offering limited insight into agents' ability to acquire such reusable skills. We address this gap by introducing SkillCraft, a benchmark explicitly stress-test agent ability to form and reuse higher-level tool compositions, where we call Skills. SkillCraft features realistic, highly compositional tool-use scenarios with difficulty scaled along both quantitative and structural dimensions, designed to elicit skill abstraction and cross-task reuse. We further propose a lightweight evaluation protocol that enables agents to auto-compose atomic tools into executable Skills, cache and reuse them inside and across tasks, thereby improving efficiency while accumulating a persistent library of reusable skills. Evaluating state-of-the-art agents on SkillCraft, we observe substantial efficiency gains, with token usage reduced by up to 80% by skill saving and reuse. Moreover, success rate strongly correlates with tool composition ability at test time, underscoring compositional skill acquisition as a core capability.

Agentic vision-language models are increasingly trained to "think with images" by calling image operations. However, we show that high final-answer accuracy often hides unfaithful visual reasoning: models may invoke tools on irrelevant regions or ignore tool outputs entirely, yet still guess the correct answer. In this work, we first propose a faithfulness evaluation protocol that measures whether intermediate visual tool outputs (e.g., crops) actually contain the queried evidence. This reveals that recent visual agents achieve high final-answer accuracy but exhibit low rates of faithful tool-use on visual search benchmarks. We then introduce CodeV, a code-based visual agent trained with Tool-Aware Policy Optimization (TAPO). TAPO is a process-level RL framework that augments GRPO with dense rewards defined directly on visual tool inputs and outputs, rather than on chain-of-thought tokens, making supervision easier to verify and less susceptible to reward hacking. CodeV represents visual tools as executable Python code, and TAPO assigns step-wise rewards based solely on the question and tool output, encouraging both necessary and evidence-consistent tool use. In a two-stage SFT+RL pipeline, CodeV achieves competitive or superior accuracy while substantially increasing faithful tool-use rates on related visual search benchmarks. Beyond visual search, CodeV attains strong performance on a range of multimodal reasoning and math benchmarks, suggesting that explicitly supervising intermediate tool behavior is crucial for building trustworthy, agentic visual reasoning systems.

Text-guided molecular generation with LLMs often yields invalid SMILES. We argue that invalid drafts should be addressed through a shift from validity-oriented repair to identity-preserving molecular recovery: the objective is not only to restore chemical validity, but also to preserve target-relevant structural cues and recover the molecular identity implied by the description. This perspective reveals the limitations of existing correction strategies. Post-hoc repair can recover validity while distorting key structures, LLM-only correction can introduce unintended global drift, and generic agentic correction remains constrained by greedy single-candidate trajectories even when equipped with executable RDKit edit tools. To address these limitations, we propose AMREC, which couples molecule-aware mismatch tracking with expanded candidate exploration and trajectory-level selection. On invalid ChEBI-20 drafts from three backbone models, AMREC achieves the strongest overall recovery profile across structural, exact-match, and string-level metrics.

Large language models (LLMs) have demonstrated exceptional performance in planning the use of various functional tools, such as calculators and retrievers, particularly in question-answering tasks. In this paper, we expand the definition of these tools, centering on conceptual tools within the context of dialogue systems. A conceptual tool specifies a cognitive concept that aids systematic or investigative thought. These conceptual tools play important roles in practice, such as multiple psychological or tutoring strategies being dynamically applied in a single turn to compose helpful responses. To further enhance the reasoning and planning capability of LLMs with these conceptual tools, we introduce a multi-persona collaboration framework: Think-Plan-Execute (TPE). This framework decouples the response generation process into three distinct roles: Thinker, Planner, and Executor. Specifically, the Thinker analyzes the internal status exhibited in the dialogue context, such as user emotions and preferences, to formulate a global guideline. The Planner then generates executable plans to call different conceptual tools (e.g., sources or strategies), while the Executor compiles all intermediate results into a coherent response. This structured approach not only enhances the explainability and controllability of responses but also reduces token redundancy. We demonstrate the effectiveness of TPE across various dialogue response generation tasks, including multi-source (FoCus) and multi-strategy interactions (CIMA and PsyQA). This reveals its potential to handle real-world dialogue interactions that require more complicated tool learning beyond just functional tools. The full code and data will be released for reproduction.

This paper introduces LLM2Fx-Tools, a multimodal tool-calling framework that generates executable sequences of audio effects (Fx-chain) for music post-production. LLM2Fx-Tools uses a large language model (LLM) to understand audio inputs, select audio effects types, determine their order, and estimate parameters, guided by chain-of-thought (CoT) planning. We also present LP-Fx, a new instruction-following dataset with structured CoT annotations and tool calls for audio effects modules. Experiments show that LLM2Fx-Tools can infer an Fx-chain and its parameters from pairs of unprocessed and processed audio, enabled by autoregressive sequence modeling, tool calling, and CoT reasoning. We further validate the system in a style transfer setting, where audio effects information is transferred from a reference source and applied to new content. Finally, LLM-as-a-judge evaluation demonstrates that our approach generates appropriate CoT reasoning and responses for music production queries. To our knowledge, this is the first work to apply LLM-based tool calling to audio effects modules, enabling interpretable and controllable music production.

Large Language Model (LLM) agents, capable of performing a broad range of actions, such as invoking tools and controlling robots, show great potential in tackling real-world challenges. LLM agents are typically prompted to produce actions by generating JSON or text in a pre-defined format, which is usually limited by constrained action space (e.g., the scope of pre-defined tools) and restricted flexibility (e.g., inability to compose multiple tools). This work proposes to use executable Python code to consolidate LLM agents' actions into a unified action space (CodeAct). Integrated with a Python interpreter, CodeAct can execute code actions and dynamically revise prior actions or emit new actions upon new observations through multi-turn interactions. Our extensive analysis of 17 LLMs on API-Bank and a newly curated benchmark shows that CodeAct outperforms widely used alternatives (up to 20% higher success rate). The encouraging performance of CodeAct motivates us to build an open-source LLM agent that interacts with environments by executing interpretable code and collaborates with users using natural language. To this end, we collect an instruction-tuning dataset CodeActInstruct that consists of 7k multi-turn interactions using CodeAct. We show that it can be used with existing data to improve models in agent-oriented tasks without compromising their general capability. CodeActAgent, finetuned from Llama2 and Mistral, is integrated with Python interpreter and uniquely tailored to perform sophisticated tasks (e.g., model training) using existing libraries and autonomously self-debug.

Compact language models (LMs) reduce cost, latency, and deployment risk for tool agents. Yet MCP-style tool use requires more than isolated function calling: an agent must discover tools from live catalogs, satisfy schemas, preserve dependencies across intermediate outputs, and ground final responses in executed evidence. Small planners often generate plausible workflow graphs that fail under tool resolution, parameter validation, dependency tracking, or execution. We argue that this failure mode is poorly handled by small-corpus distillation. A few hundred teacher traces can teach workflow format, but rarely cover the recovery behavior needed to repair failed plans over changing tool catalogs. We introduce Evoflux, an inference-time evolutionary search method that treats compact tool use as the repair of executable tool workflows. It evolves typed workflow graphs through structured edits, execution feedback, adaptive intensity, meta-guided redesign, and diversity pruning. On held-out MCP-Bench tasks spanning live MCP servers and 250 tools, Evoflux raises execution feasibility from roughly 3% to 17-24% across small planners. In contrast, SFT and SFT+DPO on the same search-mined data match, underperform, or collapse below zero-shot performance; ReAct reaches higher peaks, but with higher variance and token cost. These results show that execution-grounded search is more reliable under scarce teacher-trace budgets.

Structured financial audit verification is difficult for language-model agents because correctness depends on structured evidence rather than text alone. A model must link reported facts to taxonomy concepts, traverse calculation or dimensional relations, and recompute expected values before applying an audit rule. We propose AuditFlow, a graph-grounded multi-agent framework that separates adaptive search from deterministic verification. AuditFlow builds a symbolic environment from a static US-GAAP taxonomy graph and a dynamic XBRL filing graph, and exposes it through typed tools for fact retrieval, taxonomy traversal, numerical checking, and rule evaluation. Two junior auditors inspect each case from regulatory and evidentiary views, while a senior auditor resolves disagreements and can request further investigation. The final reports are fused through evidential aggregation to produce an audit verdict, expected value, evidence trail, and trustworthiness score. On a FinAuditing-derived FinMR sample, AuditFlow reaches 82.09% joint audit accuracy under GPT-5.5, outperforming the strongest baseline by 14.93 points. Removing deterministic checks drops accuracy to 17.91%, showing that the symbolic environment performs the verification step that the model cannot reliably replace.

Open-source scientific software is a major driver of scientific progress, yet its development and reuse remain difficult in collaborative settings. Researchers repeatedly face four recurring challenges: discovering and reproducing existing routines, adapting them for new use cases, sharing and scaling them across collaborators, and stabilizing them with reproducible execution environments. We present Album, an open-source framework for packaging and sharing scientific routines as executable artifacts through two minimal primitives: (i) the solution, a Python-native executable entry point that combines machine-readable metadata, arguments, environment specifications, and lifecycle hooks; and (ii) the catalog, a decentralized, git-native distribution mechanism with indexed search and optional web rendering for discovery, provenance, and governance. Album uses a two-context execution model in which a host controller evaluates manifests and prepares per-solution environments, while lifecycle hooks execute inside isolated solution environments. This design supports reproducible execution, post-environment setup, and the composition of routines with incompatible dependencies. Album can be used in conjunction with LLM agents: solutions can be drafted and revised with LLM assistance, and a MCP interface exposes cataloged solutions as callable tools for tool-grounded discovery and orchestration. We evaluate Album through four realworld imaging deployments spanning interactive visualization of electron microscopy data, integration of multiple segmentation methods, the orchestration of cryo-electron tomography competition workflows, and mineral quantification pipelines. Overall, Album complements package managers, workflow systems, and container runtimes by making scientific routines executable, shareable artifacts. Documentation and examples are available at https://album.solutions.

Solving complex visual tasks such as "Who invented the musical instrument on the right?" involves a composition of skills: understanding space, recognizing instruments, and also retrieving prior knowledge. Recent work shows promise by decomposing such tasks using a large language model (LLM) into an executable program that invokes specialized vision models. However, generated programs are error-prone: they omit necessary steps, include spurious ones, and are unable to recover when the specialized models give incorrect outputs. Moreover, they require loading multiple models, incurring high latency and computation costs. We propose Visual Program Distillation (VPD), an instruction tuning framework that produces a vision-language model (VLM) capable of solving complex visual tasks with a single forward pass. VPD distills the reasoning ability of LLMs by using them to sample multiple candidate programs, which are then executed and verified to identify a correct one. It translates each correct program into a language description of the reasoning steps, which are then distilled into a VLM. Extensive experiments show that VPD improves the VLM's ability to count, understand spatial relations, and reason compositionally. Our VPD-trained PaLI-X outperforms all prior VLMs, achieving state-of-the-art performance across complex vision tasks, including MMBench, OK-VQA, A-OKVQA, TallyQA, POPE, and Hateful Memes. An evaluation with human annotators also confirms that VPD improves model response factuality and consistency. Finally, experiments on content moderation demonstrate that VPD is also helpful for adaptation to real-world applications with limited data.

We present AlphaApollo, a self-evolving agentic reasoning system that aims to address two bottlenecks in foundation model (FM) reasoning-limited model-intrinsic capacity and unreliable test-time iteration. AlphaApollo orchestrates multiple models with professional tools to enable deliberate, verifiable reasoning. It couples (i) a computation tool (Python with numerical and symbolic libraries) and (ii) a retrieval tool (task-relevant external information) to execute exact calculations and ground decisions. The system further supports multi-round, multi-model solution evolution via a shared state map that records candidates, executable checks, and feedback for iterative refinement. In evaluations on AIME 2024/2025 across multiple models, AlphaApollo delivers consistent gains: +5.15% Average@32 and +23.34% Pass@32 for Qwen2.5-14B-Instruct, and +8.91% Average@32 with +26.67% Pass@32 for Llama-3.3-70B-Instruct. Tool-use analysis shows that more than 80% of tool calls are successfully executed, with consistent outperformance of non-tool baselines, thereby lifting the capability ceiling of FMs. More empirical results and implementation details will be updated at https://github.com/tmlr-group/AlphaApollo.

Agents built around large language models continually accumulate interaction trajectories during deployment, yet their behavior typically remains fixed. Beyond updating model weights, these trajectories can improve the agent harness that constructs context, mediates tools, validates actions, and recovers execution. We introduce Harness-R1, the first method, to our knowledge, that makes failure-conditioned, lifecycle-wide editing of an existing executable runtime a learned capability. It post-trains a dedicated harness engineer with online reinforcement learning so that its edits are optimized for the realized task success they produce, rather than proposed by a fixed editor. A separate 9B engineer converts batches of target-agent failures into validated executable patches; fresh same-batch reruns of the frozen target provide outcome rewards, so training updates only the engineer. Cold-start supervised fine-tuning initializes this editing policy, which is then trained online with group-relative policy optimization. Across WebShop, ALFWorld, and DBBench, Harness-R1 raises vanilla Qwen3.5-9B success from 44.3% to 53.6% (+9.3 percentage points). After direct target-agent fine-tuning, a target-specific engineer raises the average further from 59.2% to 64.2% (+5.0 points); because these gains hold both before and after fine-tuning the target, Harness-R1 points toward co-evolving the harness engineer and the target agent.

Recent releases such as o3 highlight human-like "thinking with images" reasoning that combines structured tool use with stepwise verification, yet most open-source approaches still rely on text-only chains, rigid visual schemas, or single-step pipelines, limiting flexibility, interpretability, and transferability on complex tasks. We introduce CodeDance, which explores executable code as a general solver for visual reasoning. Unlike fixed-schema calls (e.g., only predicting bounding-box coordinates), CodeDance defines, composes, and executes code to orchestrate multiple tools, compute intermediate results, and render visual artifacts (e.g., boxes, lines, plots) that support transparent, self-checkable reasoning. To guide this process, we introduce a reward for balanced and adaptive tool-call, which balances exploration with efficiency and mitigates tool overuse. Interestingly, beyond the expected capabilities taught by atomic supervision, we empirically observe novel emergent behaviors during RL training: CodeDance demonstrates novel tool invocations, unseen compositions, and cross-task transfer. These behaviors arise without task-specific fine-tuning, suggesting a general and scalable mechanism of executable visual reasoning. Extensive experiments across reasoning benchmarks (e.g., visual search, math, chart QA) show that CodeDance not only consistently outperforms schema-driven and text-only baselines, but also surpasses advanced closed models such as GPT-4o and larger open-source models.

Addressing a structural-engineering request requires more than a single answer; it requires a chain of interdependent artifacts: interpreted requirements, a computable model, validation records, solver outputs, code-check records, and a final report. Evaluations centered on question answering or script generation rarely verify this complete evidence chain and may therefore reward fluent outputs even when the underlying engineering workflow is incomplete, internally inconsistent, or non-executable. To address this limitation, we present StructureClaw, an artifact-centered workbench in which LLM agents operate through governed engineering skills, typed tools, shared artifact state, and local analysis backends. We also introduce StructureClaw-Bench, an executable benchmark of 150 controlled scenarios spanning standard workflow execution, interactive robustness, and multimodal structural-model reconstruction. A scenario succeeds only when all required artifact- and execution-level assertions pass in a single run. Across ten agent-model configurations, each evaluated on the same 50 standard cases, the average Success Rate rises from 56.8% with the generic-skill baseline to 88.6% with the full automatic workflow. The interactive and multimodal evaluations identify two prominent remaining challenges: safe handling of invalid numerical inputs and fixture-consistent reconstruction of structural models. These findings show that artifact-centered evaluation can expose workflow-level failures that are difficult to identify from final responses alone, providing a more rigorous basis for evaluating and improving structural-engineering agents. The code and benchmark are available at https://github.com/structureclaw/structureclaw.

Task-oriented conversational agents rely on semantic parsers to translate natural language to formal representations. In this paper, we propose the design and rationale of the ThingTalk formal representation, and how the design improves the development of transactional task-oriented agents. ThingTalk is built on four core principles: (1) representing user requests directly as executable statements, covering all the functionality of the agent, (2) representing dialogues formally and succinctly to support accurate contextual semantic parsing, (3) standardizing types and interfaces to maximize reuse between agents, and (4) allowing multiple, independently-developed agents to be composed in a single virtual assistant. ThingTalk is developed as part of the Genie Framework that allows developers to quickly build transactional agents given a database and APIs. We compare ThingTalk to existing representations: SMCalFlow, SGD, TreeDST. Compared to the others, the ThingTalk design is both more general and more cost-effective. Evaluated on the MultiWOZ benchmark, using ThingTalk and associated tools yields a new state of the art accuracy of 79% turn-by-turn.

Multiple-choice QA benchmarks usually evaluate small language models (SLMs) as direct answerers, but deployed language-model systems increasingly rely on external scaffolds such as tools, code, and repeated model calls. We introduce Code-Guided Reasoning (CGR), an evaluation protocol and generated-program resource for measuring when executable reasoning scaffolds improve SLM performance on MCQA tasks. CGR standardizes six components: a normalized item interface, a direct solver prompt, a generator prompt, a Python scaffold, solver-call and extraction helpers, and a three-channel result record. On 20,498 retained result rows from a locally prepared MCQA bundle and six metadata-registered solver models, the observed non-zero-baseline partition shows 66.21% macro assisted accuracy versus 38.11% direct accuracy, a +28.10 percentage-point difference with a pair-bootstrap interval of [20.32, 36.43]. Under a stricter Ab > 30% direct-signal gate, the macro difference is +14.11 points. These estimates are descriptive. Assisted inference uses a larger solver-call budget, answer extraction is brittle, Time-MQA contains the observed regressions, and some generated programs violate the no-hard-coding instruction. CGR provides the trace package needed to interpret these results, including direct, assisted, and generator-side answers, partition definitions, generated programs, response metadata, and audits.

Retrieval-Augmented Generation (RAG) has become a standard approach for knowledge-intensive question answering, but existing systems remain brittle on multi-hop questions, where solving the task requires chaining multiple retrieval and reasoning steps. Key challenges are that current methods represent reasoning through free-form natural language, where intermediate states are implicit, retrieval queries can drift from intended entities, and errors are detected by the same model that produces them making self-reflection an unreliable, ungrounded signal. We observe that multi-hop question answering is a typical form of step-by-step computation, and that this structured process aligns closely with how code-specialized language models are trained to operate. Motivated by this, we introduce \pyrag, a framework that reformulates multi-hop RAG as program synthesis and execution. Instead of free-form reasoning trajectories, \pyrag represents the reasoning process as an executable Python program over retrieval and QA tools, exposing intermediate states as variables, producing deterministic feedback through execution, and yielding an inspectable trace of the entire reasoning process. This formulation further enables compiler-grounded self-repair and execution-driven adaptive retrieval without any additional training. Experiments on five QA benchmarks (PopQA, HotpotQA, 2WikiMultihopQA, MuSiQue, and Bamboogle) show that \pyrag consistently outperforms strong baselines under both training-free and RL-trained settings, with especially large gains on compositional multi-hop datasets. Our code, data and models are publicly available at https://github.com/GasolSun36/PyRAG.

Scaling executable agent training data for LLM post-training is bottlenecked by substrate-bound methods that tie task generation to predefined tools, repositories, or skill graphs: expanding coverage requires manual substrate engineering, each new domain demands a bespoke pipeline, and the resulting task distributions often reflect substrate biases rather than real-world demand. We introduce NexForge, a requirement-driven framework that takes high-level capability requirements as input and synthesizes diverse, executable agent tasks and expert trajectories for SFT. NexForge first investigates real-world demand to construct scenarios and task profiles, then performs distribution-aware compilation to generate task directives. For each directive, NexForge automatically retrieves or constructs the required files, dependencies, and runtime configurations, and finally collects expert rollouts to produce training trajectories. Without domain-specific infrastructure, NexForge produces 3.6K terminal and 2K office tasks, improving Qwen3.5-35B-A3B Base from 22.5\% to 52.0\% on Terminal-Bench 2.0 and from 813 to 1338 Elo on GDPval; scaling further to 43.2K terminal tasks yields 58.4\%, on par with Claude Opus 4.6 equipped with Claude Code. Scaled further, NexForge-synthesized data contributes to the training of Nex-N2, a family of publicly available agent models that lift Qwen3.5-397B-A17B to 75.3\% on Terminal-Bench 2.1 and to 1585 Elo on GDPval---achieving state-of-the-art open-source performance and surpassing several frontier proprietary systems. Nex-N2 models are available at https://nex.sii.edu.cn/.

LLM agents are increasingly deployed as executable systems that use tools, modify workspaces, and produce concrete artifacts. In such workflows, performance depends not only on the base model, but also on the harness: the system layer that manages context, tools, state, constraints, permissions, tracing, and recovery. However, existing benchmarks typically abstract away execution, compare complete agent systems, or hold the harness fixed, making execution-layer variation difficult to study. We introduce Harness-Bench, a diagnostic benchmark for evaluating configuration-level harness effects in realistic agent workflows. Harness-Bench evaluates representative harness configurations across multiple model backends under shared task environments, budgets, and evaluation protocols, while preserving each harness's native execution behavior. The benchmark contains 106 sandboxed offline tasks constructed from practical agent-use patterns and manually reviewed for realism, solvability, oracle-checkability, and integrity. Each run records final artifacts, execution traces, usage statistics, and validator outputs, enabling analysis beyond final completion. Across 5,194 execution trajectories, we observe substantial variation in completion, process quality, efficiency, and failure behavior across model-harness pairings. These results suggest that agent capability should be reported at the model-harness configuration level rather than attributed to the base model alone. Our analysis further identifies recurring execution-alignment failures, where plausible reasoning becomes decoupled from tool feedback, workspace state, evidence, or verifiable output contracts. Harness-Bench provides a reproducible foundation for diagnosing and improving reliable, efficient, and auditable agent execution stacks.

We present FoldingAgent, an agentic framework for inferring explicit parametric folding programs directly from origami demonstration videos. Our framework leverages the reasoning power of a pre-trained Vision-Language Model (VLM) equipped with a suite of specialized tools that enable the agent to simulate geometric transitions, verify physical plausibility, retrieve and compare visual content, and evaluate its own predictions. To translate visual content into folding programs, we define a parametric space that consists of the paper's geometry and a set of parametric folding actions. Unlike models that predict static crease patterns, our agent operates sequentially and possesses the ability to re-plan its actions, effectively mitigating the compounding errors inherent in multi-step folding. Our approach takes a step toward closing the gap between human origami knowledge, which is primarily shared through unstructured visual demonstrations, and computational methods, which typically rely on structured, parametric representations such as a crease pattern or an executable parametric plan. We evaluate our approach on PurelandFold, a newly curated benchmark of diverse Pureland origami videos with ground-truth geometry and action labels. Our results demonstrate that by combining VLM reasoning with a set of specialized tools and physical simulation, we can successfully transform unstructured visual demonstrations into executable, physically plausible folding procedures.

Large language models are increasingly deployed as agents that solve tasks by interacting with external tool environments. Although recent tool-use benchmarks increasingly cover complex task settings, they still largely assume clean, stable, and trustworthy tool environments, leaving tool-environment unreliability insufficiently examined. We introduce ToolBench-X, a benchmark for evaluating agents under recoverable reliability hazards. ToolBench-X contains executable multi-step tasks across diverse domains and sequential, parallel, and mixed workflows, each paired with deterministic tools and a canonical final answer for automatic evaluation. Starting from clean tool environments, ToolBench-X injects five structured hazard types: Specification Drift, Invocation Error, Execution Failure, Output Drift, and Cross-source Conflict. Crucially, each injected instance remains solvable through at least one valid recovery path, such as retrying, fallback, verification, or cross-checking. Experiments reveal a substantial reliability gap: agents that perform well with reliable tools often fail under recoverable hazards. Further analysis shows that failures are driven less by tool-use volume or inference budget than by limited hazard diagnosis and ineffective recovery. Targeted recovery hints recover many failed tasks, while test-time scaling yields more limited gains. These results suggest that tool-use evaluation should move beyond function-call accuracy toward task completion under unreliable tool environments. The code and data is available at https://github.com/Foreverskyou/ToolBench-X.

Enhancing the mathematical reasoning of large language models (LLMs) demands high-quality training data, yet conventional methods face critical challenges in scalability, cost, and data reliability. To address these limitations, we propose a novel program-assisted synthesis framework that systematically generates a high-quality mathematical corpus with guaranteed diversity, complexity, and correctness. This framework integrates mathematical knowledge systems and domain-specific tools to create executable programs. These programs are then translated into natural language problem-solution pairs and vetted by a bilateral validation mechanism that verifies solution correctness against program outputs and ensures program-problem consistency. We have generated 12.3 million such problem-solving triples. Experiments demonstrate that models fine-tuned on our data significantly improve their inference capabilities, achieving state-of-the-art performance on several benchmark datasets and showcasing the effectiveness of our synthesis approach.

Tool-using agents are increasingly expected to operate across realistic professional workflows, where they must interpret multimodal inputs, coordinate external tools, inspect intermediate artifacts, and revise their actions before producing a final result. Existing benchmarks, however, often evaluate tool use, computer use, and multimodal reasoning in isolation, leaving a gap between benchmark settings and end-to-end omni-modal tool use in the real world. To address this gap, we introduce MM-ToolBench, a benchmark and evaluation harness for task-oriented omni-modal tool use. MM-ToolBench contains 100 executable tasks from two macro task families, Customer Service and Intelligent Creation, covering 20 subcategory slices and supported by 27 MCP servers with 324 tools. The central design of MM-ToolBench is closed-loop multimodal verification: agents must execute tools, inspect rendered or transformed artifacts, and self-correct when outputs fail task-specific requirements. To make such evaluation scalable and verifiable, MM-ToolBench couples MCP-based execution with task-specific grounded evaluators and a semi-automated construction pipeline for scenario discovery, task instantiation, evaluator synthesis, and human audit. Experiments on 15 contemporary agentic models show that MM-ToolBench remains highly challenging: Claude Opus 4.6, commonly regarded as one of the strongest coding-agent models, achieves only 32.0% task success, far below the 94.0% human benchmark. We envision MM-ToolBench as a practical foundation for evaluating and advancing next-generation omni-modal tool-using agents through closed-loop multimodal verification.

Vision language models (VLMs) achieve strong performance on general image understanding but struggle to think with medical images, especially when performing multi-step reasoning through iterative visual interaction. Medical VLMs often rely on static visual embeddings and single-pass inference, preventing models from re-examining, verifying, or refining visual evidence during reasoning. While tool-integrated reasoning offers a promising path forward, open-source VLMs lack the training infrastructure to learn effective tool selection, invocation, and coordination in multi-modal medical reasoning. We introduce MedVistaGym, a scalable and interactive training environment that incentivizes tool-integrated visual reasoning for medical image analysis. MedVistaGym equips VLMs to determine when and which tools to invoke, localize task-relevant image regions, and integrate single or multiple sub-image evidence into interleaved multimodal reasoning within a unified, executable interface for agentic training. Using MedVistaGym, we train MedVistaGym-R1 to interleave tool use with agentic reasoning through trajectory sampling and end-to-end reinforcement learning. Across six medical VQA benchmarks, MedVistaGym-R1-8B exceeds comparably sized tool-augmented baselines by 19.10% to 24.21%, demonstrating that structured agentic training--not tool access alone--unlocks effective tool-integrated reasoning for medical image analysis.

Function-calling agents -- large language models that invoke tools and APIs -- require high-quality, domain-specific training data spanning executable environments, backing databases, and diverse multi-turn trajectories. We introduce EigenData, an integrated, self-evolving platform that automates the full data lifecycle through a multi-agent architecture. A top-level orchestrator, EigenCore, coordinates three specialized sub-systems: DatabaseAgent for realistic domain database construction, CodingAgent for verified executable environment generation with iterative test-debug loops, and DataAgent for multi-turn trajectory synthesis with self-evolving prompt optimization. Cross-component feedback ensures consistency across all artifacts. We apply EigenData to audit and repair the Berkeley Function-Calling Leaderboard (BFCL-V3), identifying systematic errors in function schemas, implementations, and reference trajectories, automatically correcting them through coordinated schema refinement, code-level bug fixes, and trajectory modification, and introducing an outcome-aware evaluation protocol that assesses task success via database-state correctness rather than turn-level trajectory matching. We demonstrate that the repaired benchmark, coupled with outcome-aware metrics, produces model rankings substantially better correlated with human judgments of functional correctness.

As on-device LLM agents evolve into personal copilots, the mobile operating system has become a key testbed for this paradigm, making rigorous capability evaluation essential. Yet existing benchmarks fall into two camps, each with a critical blind spot: GUI-centric benchmarks test surface-level screen manipulation while overlooking background tool use and long-horizon planning, whereas static function-calling benchmarks rely on offline API matching that is detached from real runtime constraints. To close this gap, we present MobilePA-Bench, an interactive, stateful, and tool-centric benchmark for evaluating the tool-calling and planning abilities of mobile planning agents. MobilePA-Bench runs on an executable sandbox that maintains live application databases and returns structured feedback, spanning 13 functional domains and 212 realistic mobile tools. Beyond basic tool use, it evaluates a central planning agent along three advanced dimensions: (1)~Sub-agent Collaboration---decomposing a complex task and delegating specialized work to capable sub-agents; (2)~Memory Usage---recalling stored memories, user profiles, and past preferences to resolve implicit requests; and (3)~Skill Usage---invoking pre-packaged composite skills instead of planning every step from scratch. Extensive experiments show that current frontier LLMs remain unreliable in mobile settings: performance drops sharply under strict tool ordering, permission limits, and unexpected runtime errors. By pairing an interactive function-calling sandbox with evidence-based verification, MobilePA-Bench serves as both a practical diagnostic benchmark and an interactive foundation for agentic reinforcement learning---accelerating the development of dependable mobile agents.

Agentic software-engineering and industrial systems increasingly operate through executable workflows rather than code genera- tion alone: they search artifacts, invoke tools, inspect structured observations, and query databases. Training these agents requires supervision data that captures valid tool interactions and executable workflows. However, traditional query-first data synthesis can fail because plausible user requests may not correspond to valid tool sequences, compatible parameters, or available data. To address this limitation, we propose SyntheticAgentTraceQA, an execution- first framework for generating scalable supervision data for tool- augmented agents. Our framework first constructs high-level work- flow structures, maps them to available tools through dependency- aware assignment, executes and validates the resulting traces in con- trolled environments, and only then synthesizes natural-language user tasks, teacher-generated reasoning annotations, and reference answers. We evaluate the framework across four tool ecosystems and use the resulting data to fine-tune and evaluate Qwen model variants. The results show that execution-grounded supervision improves tool execution behavior, reference-trace agreement, and answer-generation performance on the evaluated tasks. Further analysis reveals a supervision trade-off: masked supervision, which excludes reasoning annotations from the training objective, im- proves final-answer metrics, whereas full supervision, computing loss over the complete assistant output including reasoning tokens, underperforms on answer quality and does not consistently im- prove reference-trace agreement, particularly at the 9B scale. These findings highlight the importance of designing synthetic supervi- sion according to the desired capabilities of tool-augmented agents.

Recent work synthesizes agentic tasks for post-training tool-using LLMs, yet robust generalization under shifts in tasks and toolsets remains an open challenge. We trace this brittleness to insufficient diversity in synthesized tasks. Scaling diversity is difficult because training requires tasks to remain executable and verifiable, while generalization demands coverage of diverse tool types, toolset combinations, and heterogeneous tool-use patterns. We propose DIVE, an evidence-driven recipe that inverts synthesis order, executing diverse, real-world tools first and reverse-deriving tasks strictly entailed by the resulting traces, thereby providing grounding by construction. DIVE scales structural diversity along two controllable axes, tool-pool coverage and per-task toolset variety, and an Evidence Collection--Task Derivation loop further induces rich multi-step tool-use patterns across 373 tools in five domains. Training Qwen3-8B on DIVE data (48k SFT + 3.2k RL) improves by +22 average points across 9 OOD benchmarks and outperforms the strongest 8B baseline by +68. Remarkably, controlled scaling analysis reveals that diversity scaling consistently outperforms quantity scaling for OOD generalization, even with 4x less data.

An agent harness is the external control layer that turns a base LLM into an executable agent by managing context, tools, orchestration, memory, decoding, and output handling. While harness design strongly affects agent behavior, most automatic improvement methods optimize narrower artifacts such as prompts, pipelines, or workflows, and deployed agents usually reuse a single global harness for all cases. We introduce MemoHarness, an adaptive harness optimization framework that learns from its own executions. MemoHarness decomposes the harness into six editable control dimensions, stores per-case diagnoses and distilled global patterns in a dual-layer experience bank, and adapts the learned harness to each test case using retrieved experience without test-time labels, feedback, or additional search. In our evaluation across shell-agent, code-generation, and analytical-reasoning benchmarks, MemoHarness improves over the fixed harnesses we compare against and shows selective transfer to unseen suites and base models. Its additional context can also remain cost-competitive when much of the retrieved experience is cacheable. These results provide evidence that execution experience is a practical substrate for building agent harnesses that are more adaptive than a single static configuration, while leaving broader claims about statistical robustness and component attribution to future work.

The hallucination of code generation models hinders their applicability to systems requiring higher safety standards. One critical bottleneck in addressing code hallucination is the difficulty of identifying the functional correctness of generated code, due to its unnatural form. We address this core bottleneck by automatically generating unit tests using dynamic code analysis tools, leveraging the executable nature of code. Accordingly, we propose a selective code generator that abstains from uncertain generations -- based on the functional correctness evaluated by generated unit tests -- to theoretically control the correctness among non-abstained answers, \ie the false discovery rate. Finally, we propose to use generated unit tests in evaluation as well as in learning for precise code evaluation, calling this paradigm FuzzEval. We demonstrate the efficacy of our method along with the controllability of code hallucination and reasonable selection efficiency.

While LLM agents demonstrate strong reasoning abilities in compact and well-defined scenarios, they struggle to maintain robustness and effectiveness when faced with large-scale, diverse, and dynamic real-world environments that demand seamless tool integration. To address this gap, we introduce ToolVerse, a comprehensive framework that scales up agentic RL environments and enables agents to perform complex long-horizon reasoning in Tool-Integrated Reasoning (TIR) tasks. First, ToolVerse automatically builds the massive executable agent training environments from nearly 400 real-world Model Context Protocols (MCPs) that contain about 4500 tools. Second, we propose a task design strategy based on a tool dependency graph, utilizing Dynamic Unlocking Sampling Algorithm to generate long-horizon tasks, and produce GUST (Graph Unlocking Sampling Tasks) dataset. Third, to alleviate the credit assigment problem in long-horizon agentic RL, we propose a fine-grained Turn-Aware Relative Advantage algorithm. We conduct extensive Agentic RL training using ToolVerse and evaluate our framework on serveral agentic benchmarks. Experimental results demonstrate that our framework significantly strengthens LLMs' capabilities in long-horizon tool use, achieving a marked performance boost and showcasing robust reasoning within dynamic environments.

Apollo did not reach the Moon merely because its engineers could solve difficult equations. It succeeded by turning a distant ambition into a mission architecture of explicit objectives, simulation, verification, and repeated correction. AI now faces a similar transition: frontier models can solve difficult tasks once the problem, tools, and success criteria are specified, yet consequential real-world challenges rarely arrive in an executable or verifiable form. We introduce Apodex Discovery, a framework for building and evaluating discoverative AI through the heavy-duty solver, a system comprising a foundation model, harness, tools, and control policies that pursues extended, stateful, verifiable investigations. It has three core components. First, a problem-scouting process surveyed 561 industries across 16 sectors, assembled 423 high-value real-world problems, and selected 20 for the initial release. Second, a common environment-task-episode abstraction provides data, tools, constraints, feedback, trajectory recording, and verification of intermediate artifacts and final submissions. Third, HDS6 evaluates Tools, Repair, Alternatives, Coherence, Evidence, and Scope independently of final-task success. In AAV capsid design, Apodex surpassed the published state of the art by 7% across viability, tropism, structure prediction, and generative design. In drug repurposing and reformulation, a task-specific biomedical environment improved the mean normalized prediction score of GPT-5.5 and GPT-5.6-sol by 2.5 and 7.6 points over the same closed-book backbone. Controlled ablations show that the fixed TRACES episode interface enables attribution of performance differences to specific solver components. Apodex Discovery moves AI evaluation beyond predefined benchmarks toward verifiable investigations aimed at genuine discovery.

Modern LLM agents are often improved by modifying prompts, tools, or workflows manually, while the executable scaffold surrounding the model---the harness---is typically treated as a fixed artifact after deployment. This work studies an alternative where the harness is task-specific and continuously evolvable: each task family maintains its own harness, which is hot-swapped across iterations through a fixed task-injection seam and rewritten using environment feedback. We introduce Hierarchical Self-Improvement (HSI), a framework in which a single frozen LLM M operates across three hierarchical scopes: a task harness H that executes tasks, an evolver that rewrites H, and a meta-evolver that rewrites the evolver's strategy code under a frozen outer anchor. A thinking-on/off design isolates the contribution of harness evolution by disabling reasoning during task execution while enabling it during self-modification. HSI is bounded by two factors: a feedback-fidelity bound, since evolution requires informative reward signals to guide selection, and a backbone capability bound, since harness redesign cannot overcome limitations of the frozen model. On BALROG with DeepSeek-V4-Flash-Preview as the frozen backbone, HSI achieves consistent gains over the initial harness on moderate-difficulty tasks (+39.3 on BabyAI, +33.0 on Crafter, +25.0 on TextWorld, and +15.0 on MiniHack, all in raw \% Progress), while obtaining strong held-out generalization on BabaIsAI sub-suites (0.98 best-test on BreakStop and 1.00 on GoTo from a 20% unseen split). On tasks beyond the backbone's capability (NLE), harness evolution provides no improvement. These results demonstrate task-specific harness evolution as a viable axis for improving frozen LLM agents under clear empirical limits. Code is available at https://github.com/TailinZhou/hsi.

While recent vision-language models (VLMs) demonstrate strong image understanding, their ability to "think with images", i.e., to reason through multi-step visual interactions, remains limited. We introduce VISTA-Gym, a scalable training environment for incentivizing tool-integrated visual reasoning capabilities in VLMs. VISTA-Gym unifies diverse real-world multimodal reasoning tasks (7 tasks from 13 datasets in total) with a standardized interface for visual tools (e.g., grounding, parsing), executable interaction loops, verifiable feedback signals, and efficient trajectory logging, enabling visual agentic reinforcement learning at scale. While recent VLMs exhibit strong text-only reasoning, both proprietary and open-source models still struggle with tool selection, invocation, and coordination. With VISTA-Gym, we train VISTA-R1 to interleave tool-use with agentic reasoning via multi-turn trajectory sampling and end-to-end reinforcement learning. Extensive experiments across 11 public reasoning-intensive VQA benchmarks show that VISTA-R1-8B outperforms state-of-the-art baselines with similar sizes by 9.51%-18.72%, demonstrating VISTA-Gym as an effective training ground to unlock the tool-integrated reasoning capabilities for VLMs.

Reusing and invoking existing code remains costly and unreliable, as most practical tools are embedded in heterogeneous code repositories and lack standardized, executable interfaces. Although large language models (LLMs) and Model Context Protocol (MCP)-based tool invocation frameworks enable natural language task execution, current approaches rely heavily on manual tool curation and standardization, which fundamentally limits scalability. In this paper, we propose ToolRosetta, a unified framework that automatically translates open-source code repositories and APIs into MCP-compatible tools that can be reliably invoked by LLMs. Given a user task, ToolRosetta autonomously plans toolchains, identifies relevant codebases, and converts them into executable MCP services, enabling end-to-end task completion with minimal human intervention. In addition, ToolRosetta incorporates a security inspection layer to mitigate risks inherent in executing arbitrary code. Extensive experiments across diverse scientific domains demonstrate that ToolRosetta can automatically standardize a large number of open-source tools and reduce the human effort required for code reproduction and deployment. Notably, by seamlessly leveraging specialized open-source tools, ToolRosetta-powered agents consistently improve task completion performance compared to commercial LLMs and existing agent systems.

LLM-based agents struggle to execute complex, multi-step Standard Operating Procedures (SOPs) that are fundamental to industrial automation. Existing benchmarks fail to capture the procedural complexity and tool orchestration demands of real-world workflows. We introduce SOP-Bench, a benchmark of 2,000+ tasks from human expert-authored SOPs across 12 business domains (healthcare, logistics, finance, content moderation, etc.). Using a human-AI collaborative framework, experts crafted authentic SOPs while AI generated artifacts (tools, APIs, datasets), all human-validated, yielding realistic tasks with executable interfaces and ground-truth outputs. SOP-Bench serves as a research enabler for systematically investigating agent architectures, model capabilities, and deployment considerations across diverse procedural tasks. We demonstrate its utility through illustrative experiments with a subset of frontier models across Function-Calling (FC) and ReAct agents, revealing critical insights. For example, (1) newer models do not guarantee better performance - Claude 4 family outperforms Claude 4.5 family on ReAct tasks (Claude 4 Opus: 72.4% vs. Claude 4.5 Sonnet: 63.3% task success rate), demonstrating that production upgrades require validation; (2) no single model-agent combination dominates: best performances range from 57% to 100% depending on domain. These examples illustrate how SOP-Bench enables isolating and studying specific dimensions of agent performance without costly production experiments. Our goal is not to rank model capabilities or build optimal agents, but to provide a rigorous evaluation framework that enables the researchers and practitioners to systematically investigate agent design choices, model selection, and deployment strategies. We release the benchmark at https://github.com/amazon-science/sop-bench.

We present MagicSelector, a joint optimization framework integrating Counterfactual task decomposition, Progressive reranking, and Dynamic Top-K, designed to address the fundamental challenges of tool retrieval in agents. MagicSelector is a specialized framework capable of translating ambiguous user instructions into executable atomic subtasks and guiding high-precision tool retrieval, effectively mitigating redundant noise and severe context distraction in out-of-domain (OOD) scenarios.We empower MagicSelector with these capabilities through three key contributions: (1) a preferenceguided counterfactual task decomposition mechanism that utilizes a counterfactual reward to quantify the marginal causal gain of decomposition on retrieval ranking, effectively imposing fine-grained structural supervision on logical coherence; (2) a progressive tool reranking method driven by self-distillation hard negative mining, which optimizes both point-wise and list-wise relevance to enhance fine-grained discrimination among highly similar tools; and (3) a dual semantic boundary-aware dynamic Top-K strategy that adaptively monitors reranking score cliffs and inter-tool semantic shifts to dynamically truncate the candidate list, maximizing relevant tool recall while filtering long-tail noise. Evaluated on MTDTool, the first task decomposition benchmark we constructed tailored for mobile multi-turn interactions with process-level annotations, MagicSelector yields promising performance. Extensive experiments demonstrate that MagicSelector significantly outperforms state-of-the-art methods in terms of tool retrieval accuracy, OOD generalization capability, and overall token efficiency, thereby demonstrating the effectiveness of our proposed framework.

Agents learn to act through interaction with environments, yet the environments used for training are often manually constructed or synthesized around predefined tasks and benchmarks. This task-centric paradigm makes it difficult to scale environments that reflect realistic and evolving workflows where diverse tasks can naturally emerge from the underlying world. We introduce AgentMercury, a scalable framework for synthesizing executable environments from high-level business scenarios. Rather than constructing an environment for a specific task, AgentMercury first instantiates a persistent world with entities, services, tools, state, and executable cross-service invariants, from which diverse tasks and interaction trajectories can subsequently emerge. We construct 4,783 executable environments spanning 14 industries and 50 countries, and use them as training substrates for reinforcement learning. Despite being generated without targeting the evaluation benchmarks, policies trained on these business-oriented environments improve substantially on both enterprise workflows and out-of-domain benchmarks spanning reasoning, coding, scientific computing, and tool use. In our experiments, Qwen3.5-4B improves from 12.3 to 15.7 on EnterpriseOps-GYM and from 45.9 to 56.0 on AIME26 after training on AgentMercury environments. We further show that the construction process itself can be learned: fine-tuning Qwen3.5-35B-A3B on construction traces increases executable-world authoring success from 3.3% to 83.3% on held-out business scenarios. These results show that scenario-grounded environments can provide useful and generalizable learning signals beyond benchmark-specific training, while their construction can itself become a learnable capability.

Tool use is a hallmark of advanced intelligence, exemplified in both animal behavior and robotic capabilities. This paper investigates the feasibility of imbuing robots with the ability to creatively use tools in tasks that involve implicit physical constraints and long-term planning. Leveraging Large Language Models (LLMs), we develop RoboTool, a system that accepts natural language instructions and outputs executable code for controlling robots in both simulated and real-world environments. RoboTool incorporates four pivotal components: (i) an "Analyzer" that interprets natural language to discern key task-related concepts, (ii) a "Planner" that generates comprehensive strategies based on the language input and key concepts, (iii) a "Calculator" that computes parameters for each skill, and (iv) a "Coder" that translates these plans into executable Python code. Our results show that RoboTool can not only comprehend explicit or implicit physical constraints and environmental factors but also demonstrate creative tool use. Unlike traditional Task and Motion Planning (TAMP) methods that rely on explicit optimization, our LLM-based system offers a more flexible, efficient, and user-friendly solution for complex robotics tasks. Through extensive experiments, we validate that RoboTool is proficient in handling tasks that would otherwise be infeasible without the creative use of tools, thereby expanding the capabilities of robotic systems. Demos are available on our project page: https://creative-robotool.github.io/.

This paper introduces Opus, a novel framework for generating and optimizing Workflows tailored to complex Business Process Outsourcing (BPO) use cases, focusing on cost reduction and quality enhancement while adhering to established industry processes and operational constraints. Our approach generates executable Workflows from Intention, defined as the alignment of Client Input, Client Output, and Process Context. These Workflows are represented as Directed Acyclic Graphs (DAGs), with nodes as Tasks consisting of sequences of executable Instructions, including tools and human expert reviews. We adopt a two-phase methodology: Workflow Generation and Workflow Optimization. In the Generation phase, Workflows are generated using a Large Work Model (LWM) informed by a Work Knowledge Graph (WKG) that encodes domain-specific procedural and operational knowledge. In the Optimization phase, Workflows are transformed into Workflow Graphs (WFGs), where optimal Workflows are determined through path optimization. Our experiments demonstrate that state-of-the-art Large Language Models (LLMs) face challenges in reliably retrieving detailed process data as well as generating industry-compliant workflows. The key contributions of this paper include: - The integration of a Work Knowledge Graph (WKG) into a Large Work Model (LWM), enabling the generation of context-aware, semantically aligned, structured and auditable Workflows. - A two-phase approach that combines Workflow Generation from Intention with graph-based Workflow Optimization. - Opus Alpha 1 Large and Opus Alpha 1 Small, models that outperform state-of-the-art LLMs by 38\% and 29\% respectively in Workflow Generation for a Medical Coding use case.

The behavior of an LLM agent is determined not only by the underlying model, but also by its harness: the executable program that constructs context, invokes tools, verifies intermediate results, and recovers from failures. Existing approaches optimize such harnesses before deployment, searching training or development data for a fixed agent workflow that is then frozen at test time. This limits adaptation when the test distribution, failure modes, or tool interactions differ from those seen during development. We ask whether the harness can instead be optimized during evaluation itself, using only the unlabeled execution traces the agent produces on the test inputs. We introduce Test-Time Harness Evolution (TTHE), which treats the executable harness as the state of test-time adaptation. During evaluation, TTHE maintains a population of candidate harnesses and refines them through an agentic proposer that reasons over their execution traces, without gold labels or task-specific supervision; a judge then commits an improved harness from execution-derived proxy signals, and the selected program persists to govern subsequent inputs. Crucially, TTHE does not update model weights, require gold labels, or train a separate adaptation model: solver, proposers, and judge are different roles and harnesses around the same frozen LLM, so all adaptation occurs through changes to the surrounding program. Across text-to-SQL, competitive programming, software engineering, data-science coding, and agentic tool-use tasks, TTHE improves fixed ReAct-style baseline harnesses, yielding persistent, inspectable improvements rather than a pre-searched workflow or per-query retries. These results recast test-time adaptation for LLM agents as evolution over executable control programs and identify execution-derived proxy reliability as a central challenge for robust unsupervised agent improvement.

Multimodal Large Language Models (MLLMs) have shown impressive performance on vision-language tasks, but their long Chain-of-Thought (CoT) capabilities in multimodal scenarios remain underexplored. Inspired by OpenAI's o3 model, which emulates human-like ''thinking with image'' through iterative visual transformations and linguistic reasoning, we propose Simple o3, an end-to-end framework that integrates dynamic tool interactions (e.g., cropping, zooming, and reusing) into interleaved vision-language reasoning via supervised fine-tuning (SFT). Our approach features a scalable data synthesis pipeline that generates high-quality interleaved vision-language reasoning chains via an ''observe-reason-act'' cycle, complete with executable visual operations and rigorous verification, yielding the open-source TWI-Tools-146K dataset. Experimental results demonstrate Simple o3's superior performance on diverse benchmarks, outperforming existing approaches. By combining enhanced reasoning capabilities, Simple o3 establishes a powerful yet computationally affordable paradigm for advancing multimodal reasoning. Remarkably, we provide the first in-depth analysis of different interleaved reasoning strategies, offering insights into their impact on model performance. We found that by introducing additional visual tokens for interleaved vision-language reasoning, reusing and magnifying the original image significantly improves the model's visual reasoning and fine-grained perception, while image cropping based on precise visual grounding allows the model to effectively focus on key entities or regions, further enhancing its capabilities.

Flowcharts are typically presented as images, driving the trend of using vision-language models (VLMs) for end-to-end flowchart understanding. However, two key challenges arise: (i) Limited controllability--users have minimal influence over the downstream task, as they can only modify input images, while the training of VLMs is often out of reach for most researchers. (ii) Lack of explainability--it is difficult to trace VLM errors to specific causes, such as failures in visual encoding or reasoning. We propose TextFlow, addressing aforementioned issues with two stages: (i) Vision Textualizer--which generates textual representations from flowchart images; and (ii) Textual Reasoner--which performs question-answering based on the text representations. TextFlow offers three key advantages: (i) users can select the type of text representations (e.g., Graphviz, Mermaid, PlantUML), or further convert them into executable graph object to call tools, enhancing performance and controllability; (ii) it improves explainability by helping to attribute errors more clearly to visual or textual processing components; and (iii) it promotes the modularization of the solution, such as allowing advanced LLMs to be used in the Reasoner stage when VLMs underperform in end-to-end fashion. Experiments on the FlowVQA and FlowLearn benchmarks demonstrate TextFlow's state-of-the-art performance as well as its robustness. All code is publicly available.

Large Language Models (LLMs) have demonstrated remarkable progress in scaling to access massive contexts. However, the access is via the latent and uninterpretable attention mechanisms, and LLMs fail to effective process long context, exhibiting significant performance degradation as context length increases. In this work, we study whether long-context processing can be externalized from latent attention into explicit, executable interactions, by allowing coding agents to organize text in file systems and manipulate it using its native tools. We evaluate off-the-shelf frontier coding agents as the general interface for tasks that require processing long contexts, including long-context reasoning, retrieval-augmented generation, and open-domain question answering with large-scale corpus contains up to three trillion tokens. Across multiple benchmarks, these agents outperform published state-of-the-art by 17.3% on average. We attribute this efficacy to two key factors: native tool proficiency, which enables agents to leverage executable code and terminal commands rather than passive semantic queries, and file system familiarity, which allows them to navigate massive text corpora as directory structures. These findings suggest that delegating long-context processing to coding agents offers an effective alternative to semantic search or context window scaling, opening new directions for long-context processing in LLMs.

Generating professional financial reports is a labor-intensive and intellectually demanding process that current AI systems struggle to fully automate. To address this challenge, we introduce FinSight (Financial InSight), a novel multi agent framework for producing high-quality, multimodal financial reports. The foundation of FinSight is the Code Agent with Variable Memory (CAVM) architecture, which unifies external data, designed tools, and agents into a programmable variable space, enabling flexible data collection, analysis and report generation through executable code. To ensure professional-grade visualization, we propose an Iterative Vision-Enhanced Mechanism that progressively refines raw visual outputs into polished financial charts. Furthermore, a two stage Writing Framework expands concise Chain-of-Analysis segments into coherent, citation-aware, and multimodal reports, ensuring both analytical depth and structural consistency. Experiments on various company and industry-level tasks demonstrate that FinSight significantly outperforms all baselines, including leading deep research systems in terms of factual accuracy, analytical depth, and presentation quality, demonstrating a clear path toward generating reports that approach human-expert quality.

Artificial intelligence has advanced scientific discovery, but most AI4Science systems remain fragmented tools that rely on humans to coordinate problem formulation, literature grounding, model use, simulation, validation, and knowledge reuse. This paper presents SCION (Scientific Collaborative Innovation with Agentic Organizational Nexus), an agentic scientific operating system that acts as an organizational nexus. Through a Science Agent serving as a Meta-Harness, SCION connects scientific tasks, tools, agents, artifacts, and memory, transforming research into an executable, auditable, and reusable operational process. At its core is the Research Execution Plan (REP), which compiles high-level scientific intent into staged objectives, dependencies, verification checkpoints, tool requirements, expected artifacts, and fallback conditions. SCION further integrates hierarchical multi-agent execution, profile-driven specialization, selective context construction, governed delegation, and layered epistemic memory to support long-horizon scientific work. We formulate discovery under SCION as Target-conditioned Inverse Search and extend it to hidden-target settings through batch active search under finite experimental budgets. Applications in materials analysis, molecule design, and protein or antibody screening, together with experiments on scientific reading, idea generation, molecule generation, and antibody screening, show that SCION outperforms existing autonomous research-agent baselines, especially in decomposition, verification, refinement, and memory reuse. Overall, SCION shifts AI from isolated tools toward a coordinated operational layer for traceable and reusable scientific innovation.

Equipping LLMs with tool-use capabilities via Agentic Reinforcement Learning (Agentic RL) is bottlenecked by two challenges: the lack of scalable, robust execution environments and the scarcity of realistic training data that captures implicit human reasoning. Existing approaches depend on costly real-world APIs, hallucination-prone LLM simulators, or synthetic environments that are often single-turn or depend on pre-collected documents. Moreover, synthetic trajectories are frequently over-specified, resembling instruction sequences rather than natural human intents, reducing their effectiveness for RL training. We introduce EnvFactory, a fully automated framework that addresses both challenges. EnvFactory autonomously explores and verifies stateful, executable tool environments from authentic resources, and synthesizes natural multi-turn trajectories through topology-aware sampling and calibrated refinement, producing grounded queries with implicit intents. Using only 85 verified environments across 7 domains, EnvFactory generates 2,575 SFT and RL trajectories. Despite using significantly fewer environments than prior work, which are often 5 times more, EnvFactory achieves superior training efficiency and downstream performance, improving Qwen3-series models by up to +15% on BFCLv3, +8.6% on MCP-Atlas, and +6% on conversational benchmarks including τ^2-Bench and VitaBench. By fully automating both environment construction and trajectory synthesis, EnvFactory provides a scalable, extensible, and robust foundation for Agentic RL.

Significant focus has been placed on integrating large language models (LLMs) with various tools in developing general-purpose agents. This poses a challenge to LLMs' tool-use capabilities. However, there are evident gaps between existing tool-use evaluations and real-world scenarios. Current evaluations often use AI-generated queries, single-step tasks, dummy tools, and text-only interactions, failing to reveal the agents' real-world problem-solving abilities effectively. To address this, we propose GTA, a benchmark for General Tool Agents, featuring three main aspects: (i) Real user queries: human-written queries with simple real-world objectives but implicit tool-use, requiring the LLM to reason the suitable tools and plan the solution steps. (ii) Real deployed tools: an evaluation platform equipped with tools across perception, operation, logic, and creativity categories to evaluate the agents' actual task execution performance. (iii) Real multimodal inputs: authentic image files, such as spatial scenes, web page screenshots, tables, code snippets, and printed/handwritten materials, used as the query contexts to align with real-world scenarios closely. We design 229 real-world tasks and executable tool chains to evaluate mainstream LLMs. Our findings show that real-world user queries are challenging for existing LLMs, with GPT-4 completing less than 50% of the tasks and most LLMs achieving below 25%. This evaluation reveals the bottlenecks in the tool-use capabilities of current LLMs in real-world scenarios, which provides future direction for advancing general-purpose tool agents. The code and dataset are available at https://github.com/open-compass/GTA.

Skills are a useful abstraction for software agents, turning human and agent experience into reusable procedural knowledge. Yet existing skill libraries are mostly hand-written, text-centric, or derived from agent traces, leaving tutorial videos and other multimodal human resources largely underused. We present RESOURCE2SKILL, a framework that distills multimodal resources, including tutorial videos, repositories, articles, and reference artifacts, into executable skills for software agents. RESOURCE2SKILL organizes these skills as a hierarchical multimodal Skill Wiki, where each entry combines structured text, code, visual examples, metadata, and provenance. This design preserves complementary signals from different resources: videos capture temporal operations and visual effects, code captures executable tool patterns, and articles or artifacts provide conceptual and stylistic grounding. At inference time, agents retrieve and compose relevant skills from the wiki; when coverage is insufficient, the same construction operator can acquire new skills online. Across seven practical authoring domains, RESOURCE2SKILL improves average overall score by +11.9 percentage points over no-skill agents and outperforms strong harness baselines in 26 of 28 main-aggregate model-domain cells. Ablations confirm the value of multimodal skill format, hierarchical organization, source diversity, selection strategy, and online acquisition.

AI agents are increasingly used to solve real-world tasks by reasoning over multi-turn user interactions and invoking external tools. However, applying reinforcement learning to such settings remains difficult: realistic objectives often lack verifiable rewards and instead emphasize open-ended behaviors; moreover, RL for multi-turn, multi-step agentic tool use is still underexplored; and building and maintaining executable tool environments is costly, limiting scale and coverage. We propose CM2, an RL framework that replaces verifiable outcome rewards with checklist rewards. CM2 decomposes each turn's intended behavior into fine-grained binary criteria with explicit evidence grounding and structured metadata, turning open-ended judging into more stable classification-style decisions. To balance stability and informativeness, our method adopts a strategy of sparse reward assignment but dense evaluation criteria. Training is performed in a scalable LLM-simulated tool environment, avoiding heavy engineering for large tool sets. Experiments show that CM2 consistently improves over supervised fine-tuning. Starting from an 8B Base model and training on an 8k-example RL dataset, CM2 improves over the SFT counterpart by 8 points on tau^-Bench, by 10 points on BFCL-V4, and by 12 points on ToolSandbox. The results match or even outperform similarly sized open-source baselines, including the judging model. CM2 thus provides a scalable recipe for optimizing multi-turn, multi-step tool-using agents without relying on verifiable rewards. Code provided by the open-source community: https://github.com/namezhenzhang/CM2-RLCR-Tool-Agent.

Large language models are increasingly expected to serve as general-purpose agents that interact with external, stateful tool environments. The Model Context Protocol (MCP) and broader agent skills offer a unified interface for connecting agents with scalable real-world services, but training robust agents remains limited by the lack of realistic environments and principled mechanisms for life-long learning. In this paper, we present Agent-World, a self-evolving training arena for advancing general agent intelligence through scalable environments. Agent-World has two main components: (1) Agentic Environment-Task Discovery, which autonomously explores topic-aligned databases and executable tool ecosystems from thousands of real-world environment themes and synthesizes verifiable tasks with controllable difficulty; and (2) Continuous Self-Evolving Agent Training, which combines multi-environment reinforcement learning with a self-evolving agent arena that automatically identifies capability gaps through dynamic task synthesis and drives targeted learning, enabling the co-evolution of agent policies and environments. Across 23 challenging agent benchmarks, Agent-World-8B and 14B consistently outperforms strong proprietary models and environment scaling baselines. Further analyses reveal scaling trends in relation to environment diversity and self-evolution rounds, offering insights for building general agent intelligence.

Tool-augmented LLM agents commonly rely on step-wise atomic tool calls, where each invocation, observation, and value transfer is exposed in the main reasoning trace. This creates an execution-granularity mismatch: locally deterministic tool workflows are unfolded into repeated model-visible decisions, consuming context and forcing the model to manage low-level dataflow in the trace. We introduce HyperTool, a unified executable MCP-style tool interface that changes the model-visible unit of tool execution. A model invokes HyperTool with a code block that can call existing tools through their original schemas, manipulate returned values, and pass intermediate results locally, folding deterministic tool subroutines into a single outer call. To train models to use this interface, we synthesize HyperTool-format trajectories from cross-tool compositional tasks and verify them in real MCP environments. On MCP-Universe, HyperTool improves average accuracy from 15.69\% to 35.29\% on Qwen3-32B and from 9.93\% to 33.33\% on Qwen3-8B, and surpass GPT-OSS and Kimi-k2.5 on average accuracy, showing that our HyperTool can substantially improve multi-step tool use.

Code Executing Reasoning is becoming a new non-functional metric that assesses the ability of large language models (LLMs) in programming tasks. State-of-the-art frameworks (CodeMind or REval) and benchmarks (CruxEval) usually focus on LLM's prediction of a given code's input/output or intermediate variable states/values on limited programs. However, there is no tool for more in-depth analysis of the results. Without such a tool, the observations about LLM's code execution reasoning cannot be generalized to more datasets, preventing the research community and practitioners from devising the next generation of LLMs with better code execution reasoning abilities. This paper introduces ExeRScope, a series of tools and heuristics to analyze the result of code execution reasoning frameworks to understand better the impact of code properties in the studied benchmarks on the code execution reasoning. With such tooling, analysis can be generalized to code with similar properties without the urgent need to design more benchmarks, which is a cumbersome effort.

Tool-augmented LLM agents raise new security risks: tool executions can introduce runtime-only behaviors, including prompt injection and unintended exposure of external inputs (e.g., environment secrets or local files). While existing scanners often focus on static artifacts, analyzing runtime behavior is challenging because directly executing untrusted tools can itself be dangerous. We present MCP-SandboxScan, a lightweight framework motivated by the Model Context Protocol (MCP) that safely executes untrusted tools inside a WebAssembly/WASI sandbox and produces auditable reports of external-to-sink exposures. Our prototype (i) extracts LLM-relevant sinks from runtime outputs (prompt/messages and structured tool-return fields), (ii) instantiates external-input candidates from environment values, mounted file contents, and output-surfaced HTTP fetch intents, and (iii) links sources to sinks via snippet-based substring matching. Case studies on three representative tools show that MCP-SandboxScan can surface provenance evidence when external inputs appear in prompt/messages or tool-return payloads, and can expose filesystem capability violations as runtime evidence. We further compare against a lightweight static string-signature baseline and use a micro-benchmark to characterize false negatives under transformations and false positives from short-token collisions.

Automatically generating formal specifications could reduce the effort needed to improve program correctness, but in practice, this is still challenging. Many developers avoid writing contracts by hand, which limits the use of automated verification tools. Recent large language models (LLMs) can generate specifications from code, but these specifications often fail in terms of verification. The reason is syntax errors, overly strict constraints, or mismatches with program behavior. We present SpecPylot, a Python tool that synthesizes executable specifications for Python programs as icontract annotations and checks them using crosshair's symbolic execution. The tool relies on LLMs to propose candidate contracts and uses crosshair to validate them. When crosshair finds a concrete counterexample, SpecPylot updates only the generated contracts and leaves the program itself untouched. In addition, the tool can produce coverage-driven pytest stubs and keep detailed execution artifacts that are useful during debugging. Overall, the evaluation indicates that SpecPylot is able to generate crosshair-compatible contracts for most programs, but it also highlights the practical limits introduced by bounded symbolic exploration and differences in LLM behavior.

DL compiler's primary function is to translate DNN programs written in high-level DL frameworks such as PyTorch and TensorFlow into portable executables. These executables can then be flexibly executed by the deployed host programs. However, existing DL compilers rely on a tracing mechanism, which involves feeding a runtime input to a neural network program and tracing the program execution paths to generate the computational graph necessary for compilation. Unfortunately, this mechanism falls short when dealing with modern dynamic neural networks (DyNNs) that possess varying computational graphs depending on the inputs. Consequently, conventional DL compilers struggle to accurately compile DyNNs into executable code. To address this limitation, we propose \tool, a general approach that enables any existing DL compiler to successfully compile DyNNs. \tool tackles the dynamic nature of DyNNs by introducing a compilation mechanism that redistributes the control and data flow of the original DNN programs during the compilation process. Specifically, \tool develops program analysis and program transformation techniques to convert a dynamic neural network into multiple sub-neural networks. Each sub-neural network is devoid of conditional statements and is compiled independently. Furthermore, \tool synthesizes a host module that models the control flow of the DyNNs and facilitates the invocation of the sub-neural networks. Our evaluation demonstrates the effectiveness of \tool, achieving a 100\% success rate in compiling all dynamic neural networks. Moreover, the compiled executables generated by \tool exhibit significantly improved performance, running between 1.12times and 20.21times faster than the original DyNNs executed on general-purpose DL frameworks.

AI agents increasingly rely on external tools to solve complex, long-horizon tasks. Advancing such agents requires reproducible evaluation and large-scale training in controllable, diverse, and realistic tool-use environments. However, real-world APIs are limited in availability, domain coverage, and stability, often requiring access keys and imposing rate limits, which render them impractical for stable evaluation or scalable training. To address these challenges, we introduce SynthTools, a flexible and scalable framework for generating synthetic tool ecosystems. Our framework consists of three core components: Tool Generation for automatic and scalable creation of diverse tools, Tool Simulation to emulate realistic tool behaviors, and Tool Audit to ensure correctness and consistency of tool simulation. To illustrate its scalability, we show that SynthTools can readily produce toolsets that span twice as many domains and twice as many tools per domain as prior work. Furthermore, the tool simulation and tool audit components demonstrate strong reliability, achieving 94% and 99% accuracy respectively. Finally, we construct downstream tasks from the generated tools that even state-of-the-art models struggle to complete. By enabling scalable, diverse, and reliable tool ecosystems, SynthTools provides a practical path toward large-scale training and stable evaluation of tool-use agents. Our code is available at https://github.com/namkoong-lab/SynthTools.

The ability of CodeLLMs to generate executable and functionally correct code at the repository-level scale remains largely unexplored. We introduce RepoExec, a novel benchmark for evaluating code generation at the repository-level scale. RepoExec focuses on three main aspects: executability, functional correctness through automated test case generation with high coverage rate, and carefully crafted cross-file contexts to accurately generate code. Our work explores a controlled scenario where developers specify necessary code dependencies, challenging the model to integrate these accurately. Experiments show that while pretrained LLMs outperform instruction-tuned models in correctness, the latter excel in utilizing provided dependencies and demonstrating debugging capabilities. We also introduce a new instruction-tuned dataset that focuses on code dependencies and demonstrate that CodeLLMs fine-tuned on our dataset have a better capability to leverage these dependencies effectively. RepoExec aims to provide a comprehensive evaluation of code functionality and alignment with developer intent, paving the way for more reliable and applicable CodeLLMs in real-world scenarios. The dataset and source code can be found at~https://github.com/FSoft-AI4Code/RepoExec.

Code completion has become an essential tool for daily software development. Existing evaluation benchmarks often employ static methods that do not fully capture the dynamic nature of real-world coding environments and face significant challenges, including limited context length, reliance on superficial evaluation metrics, and potential overfitting to training datasets. In this work, we introduce a novel framework for enhancing code completion in software development through the creation of a repository-level benchmark ExecRepoBench and the instruction corpora Repo-Instruct, aim at improving the functionality of open-source large language models (LLMs) in real-world coding scenarios that involve complex interdependencies across multiple files. ExecRepoBench includes 1.2K samples from active Python repositories. Plus, we present a multi-level grammar-based completion methodology conditioned on the abstract syntax tree to mask code fragments at various logical units (e.g. statements, expressions, and functions). Then, we fine-tune the open-source LLM with 7B parameters on Repo-Instruct to produce a strong code completion baseline model Qwen2.5-Coder-Instruct-C based on the open-source model. Qwen2.5-Coder-Instruct-C is rigorously evaluated against existing benchmarks, including MultiPL-E and ExecRepoBench, which consistently outperforms prior baselines across all programming languages. The deployment of can be used as a high-performance, local service for programming development\url{https://execrepobench.github.io/}.

Research on self-evolving language agents has accelerated, drawing increasing attention to their ability to create, adapt, and maintain tools from task requirements. However, existing benchmarks predominantly rely on predefined specifications, which limits scalability and hinders truly autonomous evolution. While recent studies attempt to dynamically generate tools, they primarily emphasize downstream performance, resulting in a "black-box" evaluation that makes it difficult to attribute failures to specific causes. To address this, we propose Tool-Genesis, a diagnostic benchmark designed to quantify agent capabilities across multiple dimensions, including interface compliance, functional correctness, and downstream utility. Tool-Genesis evaluates whether agents can construct task-relevant tools solely from abstract requirements (without preset specifications) and use them to solve realistic problems. Crucially, we find that even state-of-the-art models struggle to produce precise tool interfaces or executable logic in a one-shot setting. These minor initial flaws are amplified through the pipeline, leading to a sharp degradation in downstream metrics. We hope Tool-Genesis will guide future research toward training and steering models to synthesize persistent, general-purpose tools that better address real-world challenges.

Code translation is a crucial activity in the software development and maintenance process, and researchers have recently begun to focus on using pre-trained large language models (LLMs) for code translation. However, existing LLMs only learn the contextual semantics of code during pre-training, neglecting executability information closely related to the execution state of the code, which results in unguaranteed code executability and unreliable automated code translation. To address this issue, we propose ExeCoder, an LLM specifically designed for code translation, aimed at utilizing executability representations such as functional semantics, syntax structures, and variable dependencies to enhance the capabilities of LLMs in code translation. To evaluate the effectiveness of ExeCoder, we manually enhanced the widely used benchmark TransCoder-test, resulting in a benchmark called TransCoder-test-X that serves LLMs. Evaluation of TransCoder-test-X indicates that ExeCoder achieves state-of-the-art performance in code translation, surpassing existing open-source code LLMs by over 10.88% to 38.78% and over 27.44% to 42.97% on two metrics, and even outperforms the renowned closed-source LLM GPT-4o. Website: https://execoder4trans.github.io/

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers, hindering the applicability of LLM agents in domains which demand large numbers of highly specialised tools, like in life sciences and medicine. Motivated by the growing trend of scientific studies accompanied by public code repositories, we propose ToolMaker, a novel agentic framework that autonomously transforms papers with code into LLM-compatible tools. Given a short task description and a repository URL, ToolMaker autonomously installs required dependencies and generates code to perform the task, using a closed-loop self-correction mechanism to iteratively diagnose and rectify errors. To evaluate our approach, we introduce a benchmark comprising 15 diverse and complex computational tasks spanning both medical and non-medical domains with over 100 unit tests to objectively assess tool correctness and robustness. ToolMaker correctly implements 80% of the tasks, substantially outperforming current state-of-the-art software engineering agents. ToolMaker therefore is a step towards fully autonomous agent-based scientific workflows.

This paper presents a new tool learning dataset Seal-Tools, which contains self-instruct API-like tools. Seal-Tools not only offers a large number of tools, but also includes instances which demonstrate the practical application of tools. Seeking to generate data on a large scale while ensuring reliability, we propose a self-instruct method to generate tools and instances, allowing precise control over the process. Moreover, our Seal-Tools contains hard instances that call multiple tools to complete the job, among which some are nested tool callings. For precise and comprehensive evaluation, we use strict format control and design three metrics from different dimensions. Therefore, Seal-Tools can serve as a new benchmark to evaluate the tool-calling ability of LLMs. Finally, we evaluate several prevalent LLMs and our finetuned model on Seal-Tools. The results show that current systems are far from perfect. The code, data and experiment results are available at https://github.com/fairyshine/Seal-Tools .

Scaling up executable code data is significant for improving language models' software engineering capability. The intricate nature of the process makes it labor-intensive, time-consuming and expert-knowledge-dependent to build a large number of executable code repositories, limiting the scalability of existing work based on running tests. The primary bottleneck lies in the automated building of test environments for different repositories, which is an essential yet underexplored task. To mitigate the gap, we introduce Repo2Run, the first LLM-based agent aiming at automating the building of executable test environments for any repositories at scale. Specifically, given a code repository, Repo2Run iteratively builds the Docker image, runs unit tests based on the feedback of the building, and synthesizes the Dockerfile until the entire pipeline is executed successfully. The resulting Dockerfile can then be used to create Docker container environments for running code and tests. We created a benchmark containing 420 Python repositories with unit tests for evaluation. The results illustrate that Repo2Run achieves an 86.0% success rate, outperforming SWE-agent by 77.0%. The resources of Repo2Run are available at https://github.com/bytedance/Repo2Run.

Large language models (LLMs) have shown promising capabilities in using external tools to solve complex problems. However, existing approaches either involve fine-tuning on tool demonstrations, which do not generalize to new tools without additional training, or providing tool documentation in context, limiting the number of tools. Both approaches often generate syntactically invalid tool calls. In this paper, we propose ToolDec, a finite-state machine-guided decoding algorithm for tool-augmented LLMs. ToolDec eliminates tool-related errors for any tool-augmented LLMs by ensuring valid tool names and type-conforming arguments. Furthermore, ToolDec enables LLM to effectively select tools using only the information contained in their names, with no need for fine-tuning or in-context documentation. We evaluated multiple prior methods and their ToolDec-enhanced versions on a variety of tasks involving tools like math functions, knowledge graph relations, and complex real-world RESTful APIs. Our experiments show that ToolDec reduces syntactic errors to zero, consequently achieving significantly better performance and as much as a 2x speedup. We also show that ToolDec achieves superior generalization performance on unseen tools, performing up to 8x better than the baselines.

Turning ideas into full software projects from scratch has become a popular use case for language models. Agents are being deployed to seed, maintain, and grow codebases over extended periods with minimal human oversight. Such settings require models to make high-level software architecture decisions. However, existing benchmarks measure focused, limited tasks such as fixing a single bug or developing a single, specified feature. We therefore introduce ProgramBench to measure the ability of software engineering agents to develop software holisitically. In ProgramBench, given only a program and its documentation, agents must architect and implement a codebase that matches the reference executable's behavior. End-to-end behavioral tests are generated via agent-driven fuzzing, enabling evaluation without prescribing implementation structure. Our 200 tasks range from compact CLI tools to widely used software such as FFmpeg, SQLite, and the PHP interpreter. We evaluate 9 LMs and find that none fully resolve any task, with the best model passing 95\% of tests on only 3\% of tasks. Models favor monolithic, single-file implementations that diverge sharply from human-written code.

The performance of LLM-based agents depends not only on the agent itself but also on the quality of the tool interfaces it consumes. While prior work has focused heavily on agent fine-tuning, tool interfaces-including natural language descriptions and parameter schemas-remain largely human-oriented and often become a bottleneck, especially when agents must select from large candidate tool sets. Existing approaches to improving tool interfaces rely on execution traces, which are frequently unavailable in cold-start or privacy-constrained settings, and typically optimize each tool independently, limiting scalability and generalization to unseen tools. We propose Trace-Free+, a curriculum learning framework that progressively transfers supervision from trace-rich settings to trace-free deployment, encouraging the model to abstract reusable interface-usage patterns and tool usage outcomes. To support this approach, we construct a large-scale dataset of high-quality tool interfaces using a structured workflow over a diverse collection of tools. Experiments on StableToolBench and RestBench show consistent gains on unseen tools, strong cross-domain generalization, and robustness as the number of candidate tools scales to over 100, demonstrating that tool interface optimization is a practical and deployable complement to agent fine-tuning.

Computer Use Agents (CUAs) can act through both atomic GUI actions, such as click and type, and high-level tool calls, such as API-based file operations, but this hybrid action space often leaves them uncertain about when to continue with GUI actions or switch to tools, leading to suboptimal execution paths. This difficulty stems from the scarcity of high-quality interleaved GUI-Tool trajectories, the cost and brittleness of collecting real tool trajectories, and the lack of trajectory-level supervision for GUI-Tool path selection. In this paper, we propose ToolCUA, an end-to-end agent designed to learn optimal GUI-Tool path selection through a staged training paradigm. We first introduce an Interleaved GUI-Tool Trajectory Scaling Pipeline that repurposes abundant static GUI trajectories and synthesizes a grounded tool library, enabling diverse GUI-Tool trajectories without manual engineering or real tool-trajectory collection. We then perform Tool-Bootstrapped GUI RFT, combining warmup SFT with single-turn RL to improve decisions at critical GUI-Tool switching points. Finally, we optimize ToolCUA with Online Agentic RL in a high-fidelity GUI-Tool environment, guided by a Tool-Efficient Path Reward that encourages appropriate tool use and shorter execution paths. Experiments on OSWorld-MCP show that ToolCUA achieves 46.85% accuracy, a relative improvement of approximately 66% over the baseline, establishing a new state of the art among models of comparable scale. It also improves by 3.9% over GUI-only settings, demonstrating effective GUI-Tool orchestration. The results further suggest that training in a hybrid action space is a promising paradigm for real-world digital agents. Open-sourced here: https://x-plug.github.io/ToolCUA/

CodeLLMs have demonstrated remarkable advancements in software engineering tasks. However, while these models can generate functionally correct code, they often produce code that is inefficient in terms of runtime. This inefficiency is particularly problematic in resource-constrained environments, impacting software performance and sustainability. Existing approaches for optimizing code efficiency for CodeLLMs like SOAP and PIE exhibit certain limitations. SOAP requires a compatible execution environment and predefined test cases for iterative code modification, while PIE focuses on instruction tuning, improving efficiency but compromising correctness. These shortcomings highlight the need for a fine-tuning framework that optimizes both efficiency and correctness without relying on predefined test cases or specific execution environments. To bridge this gap, we introduce ACECode, a reinforcement learning-based fine-tuning framework that aligns CodeLLMs with dual objectives of efficiency and correctness. ACECode combines three key steps: (1) generating code with an actor CodeLLM, (2) calculating a training-free reward signal derived from code execution feedback for each generated code, and (3) optimizing the CodeLLM via Proximal Policy Optimization (PPO) algorithm. This reward signal enables joint assessment of efficiency and correctness without manual labeling. We evaluate ACECode by fine-tuning four SOTA (state-of-the-art) CodeLLMs and comparing their code with three baselines: original, instruction-tuned, and PIE-tuned CodeLLMs. Extensive experiment results suggest that significantly improves the efficiency and correctness of generated code against all baselines for all CodeLLMs. Specifically, CodeLLMs fine-tuned with ACECode improve pass@1 by 1.84% to 14.51% and reduce runtime in 65% to 72% of cases compared to original CodeLLMs.

Powerful code agents can execute scripts, call tools, and manage files, yet many important applications remain accessible primarily through graphical user interfaces. We argue that screenshot-and-click is an inefficient interface for software-operating agents: screenshots are state-incomplete, and GUI actions are brittle, semantically weak, and poorly matched to long-horizon planning. We introduce ASIL (Agent-Software Interaction Layer), an agent-native interface that exposes software through structured JSON observations and code-executable semantic actions, realized through the deepest feasible access path for each application. We instantiate ASIL across 15 applications and a benchmark of 300 single-application and 80 multi-application tasks. ASIL reaches above 80 with closed models while executing fewer than five actions per task. Under a repaired runtime and a 50-step screenshot budget, the same tasks yield 6.6 and 26.6 strict success under screenshot-and-click control, rising to 15.0 and 53.3 on an easier OSWorld-comparable band. Against application-native interfaces on matched tasks, ASIL exceeds LibreOffice's UNO API by 28-38 strict points but only matches draw.io's MCP content contract. The structured modality also suits training: small-scale SFT raises Qwen3.5-2B from 58.0 to 72.1 and Qwen3.5-9B from 66.6 to 80.4, and resource-limited on-policy RL further raises them to 74.4 and 82.2.

Large Language Model (LLM) agents rely on external tools to perform multistage tasks. Existing agent frameworks typically assume that tool calls are atomic and return binary success or failure signals. However, real-world systems exhibit non-atomic behaviors such as timeouts after dispatch, delayed visibility, and partial state updates. These mismatches lead to reliability issues including duplicate actions, task success, and unnecessary tool executions. A lightweight, verification-aware tool wrapper is introduced that augments tool calls with postcondition verification, verify-before-retry logic, and idempotency keys. The approach is evaluated in a controlled simulated environment with injected non-atomic failures across multiple task templates. The results demonstrate that the proposed method significantly reduces duplicate actions, while maintaining comparable task success rates. Overall, the findings suggest that strengthening tool interaction semantics is a promising direction for improving LLM agent reliability without requiring modifications to the underlying language model.

Language models (LMs) are powerful yet mostly for text generation tasks. Tools have substantially enhanced their performance for tasks that require complex skills. However, many works adopt the term "tool" in different ways, raising the question: What is a tool anyway? Subsequently, where and how do tools help LMs? In this survey, we provide a unified definition of tools as external programs used by LMs, and perform a systematic review of LM tooling scenarios and approaches. Grounded on this review, we empirically study the efficiency of various tooling methods by measuring their required compute and performance gains on various benchmarks, and highlight some challenges and potential future research in the field.

Code executability plays a vital role in software debugging and testing (e.g., detecting runtime exceptions or assertion violations). However, code execution, especially partial or arbitrary code execution, is a non-trivial task due to missing definitions and complex third-party dependencies. To make partial code (such as code snippets posted on the web or code fragments deep inside complex software projects) executable, the existing study has proposed a machine learning model to predict the undefined element types and inject the pre-defined dummy values into execution. However, the performance of their tool is limited due to its simply designed dummy values and the inability to continue learning. In this paper, we design and implement a novel framework, named SelfPiCo (Self Guided Partial Code Executor), to dynamically guide partial code execution by incorporating the open-source LLM (i.e., Code Llama) within an interactive loop. Particularly, SelfPiCo leverages few-shot in-context learning and chain-of-thought reasoning to elicit human knowledge and logical reasoning based on fine-tuning the Code Llama model. SelfPiCo continuously learns from code execution results and refines its predictions step after step. Our evaluations demonstrate that SelfPiCo can execute 72.7% and 83.3% of all lines in the open-source code and Stack Overflow snippets, outperforming the most recent state-of-the-art Lexecutor by 37.9% and 33.5%, respectively. Moreover, SelfPiCo successfully detected 18 and 33 runtime type error issues by executing the partial code from eight GitHub software projects and 43 Stack Overflow posts, demonstrating the practical usage and potential application of our framework in practice.

Many popular programming languages, including C#, Java, and Python, support exceptions. Exceptions are thrown during program execution if an unwanted event happens, e.g., a method is invoked with an illegal argument value. Software developers write exceptional behavior tests (EBTs) to check that their code detects unwanted events and throws appropriate exceptions. Prior research studies have shown the importance of EBTs, but those studies also highlighted that developers put most of their efforts on "happy paths", e.g., paths without unwanted events. To help developers fill the gap, we present the first framework, dubbed exLong, that automatically generates EBTs. exLong is a large language model instruction-tuned from CodeLlama and embeds reasoning about traces that lead to throw statements, conditional expressions that guard throw statements, and non-exceptional behavior tests that execute similar traces. We compare exLong with the state-of-the-art models for test generation (CAT-LM) and one of the strongest foundation models (GPT3.5), as well as with analysis-based tools for test generation (Randoop and EvoSuite). Our results show that exLong outperforms existing models and tools. Furthermore, we contributed several pull requests to open-source projects and 23 EBTs generated by exLong were already accepted.

Binary code is pervasive, and binary analysis is a key task in reverse engineering, malware classification, and vulnerability discovery. Unfortunately, while there exist large corpuses of malicious binaries, obtaining high-quality corpuses of benign binaries for modern systems has proven challenging (e.g., due to licensing issues). Consequently, machine learning based pipelines for binary analysis utilize either costly commercial corpuses (e.g., VirusTotal) or open-source binaries (e.g., coreutils) available in limited quantities. To address these issues, we present Assemblage: an extensible cloud-based distributed system that crawls, configures, and builds Windows PE binaries to obtain high-quality binary corpuses suitable for training state-of-the-art models in binary analysis. We have run Assemblage on AWS over the past year, producing 890k Windows PE and 428k Linux ELF binaries across 29 configurations. Assemblage is designed to be both reproducible and extensible, enabling users to publish "recipes" for their datasets, and facilitating the extraction of a wide array of features. We evaluated Assemblage by using its data to train modern learning-based pipelines for compiler provenance and binary function similarity. Our results illustrate the practical need for robust corpuses of high-quality Windows PE binaries in training modern learning-based binary analyses. Assemblage can be downloaded from https://assemblage-dataset.net

Coding agents have made substantial progress on software engineering tasks that modify existing codebases, including bug fixing and feature implementation. However, constructing a complete program from scratch remains a major challenge: even the frontier models evaluated on ProgramBench fully resolve fewer than 1% of tasks. One obstacle is the lack of scalable training environments for this from-scratch setting, spanning the whole software engineering life cycle, as existing environment-construction frameworks focus only on a single phase in software development. To address this gap, we introduce MindForge, an automated pipeline that converts open-source command-line programs into source-free environments that expose only a compiled reference executable and its documentation. Using MindForge, we construct training environments from repositories disjoint from those in ProgramBench, and curate a high-quality data recipe consisting of program synthesis trajectories using GLM-5.2 as the teacher agent. Fine-tuning Qwen3.6-27B on these trajectories increases its ProgramBench average test pass rate from 37.98% to 49.51%, achieving performance comparable to substantially larger frontier models. Moreover, the fine-tuned model consistently improves over the base model across all seven unseen software engineering benchmarks, spanning long-horizon repository generation and translation, bug fixing, feature implementation, and cross-language issue resolution, with absolute gains of 31.00 points on RepoZero-C2Rust, 14.16 on DeepSWE, 10.70/4.56 on NL2Repo-Bench (with/without tests), 5.04 on SWE-bench Verified, 5.93 on SWE-bench Pro, 5.22 on SWE-bench Multilingual, and 4.94 on FeatBench.

Large Language Model (LLM) Agents leverage the advanced reasoning capabilities of LLMs in real-world applications. To interface with an environment, these agents often rely on tools, such as web search or database APIs. As the agent provides the LLM with tool documentation along the user query, the completeness and correctness of this documentation is critical. However, tool documentation is often over-, under-, or ill-specified, impeding the agent's accuracy. Standard software testing approaches struggle to identify these errors as they are expressed in natural language. Thus, despite its importance, there currently exists no automated method to test the tool documentation for agents. To address this issue, we present ToolFuzz, the first method for automated testing of tool documentations. ToolFuzz is designed to discover two types of errors: (1) user queries leading to tool runtime errors and (2) user queries that lead to incorrect agent responses. ToolFuzz can generate a large and diverse set of natural inputs, effectively finding tool description errors at a low false positive rate. Further, we present two straightforward prompt-engineering approaches. We evaluate all three tool testing approaches on 32 common LangChain tools and 35 newly created custom tools and 2 novel benchmarks to further strengthen the assessment. We find that many publicly available tools suffer from underspecification. Specifically, we show that ToolFuzz identifies 20x more erroneous inputs compared to the prompt-engineering approaches, making it a key component for building reliable AI agents.

Large language models have demonstrated remarkable capabilities, but their performance is heavily reliant on effective prompt engineering. Automatic prompt optimization (APO) methods are designed to automate this and can be broadly categorized into those targeting instructions (instruction optimization, IO) vs. those targeting exemplars (exemplar selection, ES). Despite their shared objective, these have evolved rather independently, with IO recently receiving more research attention. This paper seeks to bridge this gap by comprehensively comparing the performance of representative IO and ES techniques, both isolation and combination, on a diverse set of challenging tasks. Our findings reveal that intelligently reusing model-generated input-output pairs obtained from evaluating prompts on the validation set as exemplars consistently improves performance over IO methods but is currently under-investigated. We also find that despite the recent focus on IO, how we select exemplars can outweigh how we optimize instructions, with ES strategies as simple as random search outperforming state-of-the-art IO methods with seed instructions without any optimization. Moreover, we observe synergy between ES and IO, with optimal combinations surpassing individual contributions. We conclude that studying exemplar selection as a standalone method and its optimal combination with instruction optimization remains a crucial aspect of APO and deserves greater consideration in future research, even in the era of highly capable instruction-following models.

LLM-Agents have evolved into autonomous systems for complex task execution, with the SKILL.md specification emerging as a de facto standard for encapsulating agent capabilities. However, a critical bottleneck remains: different agent frameworks exhibit starkly different sensitivities to prompt formatting, causing up to 40% performance variation, yet nearly all skills exist as a single, format-agnostic Markdown version. Manual per-platform rewriting creates an unsustainable maintenance burden, while prior audits have found that over one third of community skills contain security vulnerabilities. To address this, we present SkCC, a compilation framework that introduces classical compiler design into agent skill development. At its core, SkIR - a strongly-typed intermediate representation - decouples skill semantics from platform-specific formatting, enabling portable deployment across heterogeneous agent frameworks. Around this IR, a compile-time Analyzer enforces security constraints via Anti-Skill Injection before deployment. Through a four-phase pipeline, SkCC reduces adaptation complexity from O(m times n) to O(m + n). Experiments on SkillsBench demonstrate that compiled skills consistently outperform their original counterparts, improving pass rates from 21.1% to 33.3% on Claude Code and from 35.1% to 48.7% on Kimi CLI, while achieving sub-10ms compilation latency, a 94.8% proactive security trigger rate, and 10-46% runtime token savings across platforms.

Decompilation aims to restore compiled code to human-readable source code, but struggles with details like names and structure. Large language models (LLMs) show promise for programming tasks, motivating their application to decompilation. However, there does not exist any open-source LLM for decompilation. Moreover, existing decompilation evaluation systems mainly consider token-level accuracy and largely ignore code executability, which is the most important feature of any program. Therefore, we release the first open-access decompilation LLMs ranging from 1B to 33B pre-trained on 4 billion tokens of C source code and the corresponding assembly code. The open-source LLMs can serve as baselines for further development in the field. To ensure practical program evaluation, we introduce Decompile-Eval, the first dataset that considers re-compilability and re-executability for decompilation. The benchmark emphasizes the importance of evaluating the decompilation model from the perspective of program semantics. Experiments indicate that our LLM4Decompile has demonstrated the capability to accurately decompile 21% of the assembly code, which achieves a 50% improvement over GPT-4. Our code, dataset, and models are released at https://github.com/albertan017/LLM4Decompile

Locating the files and functions requiring modification in large open-source software (OSS) repositories is challenging due to their scale and structural complexity. Existing large language model (LLM)-based methods typically treat this as a repository-level retrieval task and rely on multiple auxiliary tools, which overlook code execution logic and complicate model control. We propose RepoNavigator, an LLM agent equipped with a single execution-aware tool-jumping to the definition of an invoked symbol. This unified design reflects the actual flow of code execution while simplifying tool manipulation. RepoNavigator is trained end-to-end via Reinforcement Learning (RL) directly from a pretrained model, without any closed-source distillation. Experiments demonstrate that RL-trained RepoNavigator achieves state-of-the-art performance, with the 7B model outperforming 14B baselines, the 14B model surpassing 32B competitors, and even the 32B model exceeding closed-source models such as Claude-3.7. These results confirm that integrating a single, structurally grounded tool with RL training provides an efficient and scalable solution for repository-level issue localization.

Despite the advancements of open-source large language models (LLMs) and their variants, e.g., LLaMA and Vicuna, they remain significantly limited in performing higher-level tasks, such as following human instructions to use external tools (APIs). This is because current instruction tuning largely focuses on basic language tasks instead of the tool-use domain. This is in contrast to state-of-the-art (SOTA) LLMs, e.g., ChatGPT, which have demonstrated excellent tool-use capabilities but are unfortunately closed source. To facilitate tool-use capabilities within open-source LLMs, we introduce ToolLLM, a general tool-use framework of data construction, model training and evaluation. We first present ToolBench, an instruction-tuning dataset for tool use, which is created automatically using ChatGPT. Specifically, we collect 16,464 real-world RESTful APIs spanning 49 categories from RapidAPI Hub, then prompt ChatGPT to generate diverse human instructions involving these APIs, covering both single-tool and multi-tool scenarios. Finally, we use ChatGPT to search for a valid solution path (chain of API calls) for each instruction. To make the searching process more efficient, we develop a novel depth-first search-based decision tree (DFSDT), enabling LLMs to evaluate multiple reasoning traces and expand the search space. We show that DFSDT significantly enhances the planning and reasoning capabilities of LLMs. For efficient tool-use assessment, we develop an automatic evaluator: ToolEval. We fine-tune LLaMA on ToolBench and obtain ToolLLaMA. Our ToolEval reveals that ToolLLaMA demonstrates a remarkable ability to execute complex instructions and generalize to unseen APIs, and exhibits comparable performance to ChatGPT. To make the pipeline more practical, we devise a neural API retriever to recommend appropriate APIs for each instruction, negating the need for manual API selection.

To standardize interactions between LLM-based agents and their environments, the Model Context Protocol (MCP) was proposed and has since been widely adopted. However, integrating external tools expands the attack surface, exposing agents to tool poisoning attacks. In such attacks, malicious instructions embedded in tool metadata are injected into the agent context during MCP registration phase, thereby manipulating agent behavior. Prior work primarily focuses on explicit tool poisoning or relied on manually crafted poisoned tools. In contrast, we focus on a particularly stealthy variant: implicit tool poisoning, where the poisoned tool itself remains uninvoked. Instead, the instructions embedded in the tool metadata induce the agent to invoke a legitimate but high-privilege tool to perform malicious operations. We propose MCP-ITP, the first automated and adaptive framework for implicit tool poisoning within the MCP ecosystem. MCP-ITP formulates poisoned tool generation as a black-box optimization problem and employs an iterative optimization strategy that leverages feedback from both an evaluation LLM and a detection LLM to maximize Attack Success Rate (ASR) while evading current detection mechanisms. Experimental results on the MCPTox dataset across 12 LLM agents demonstrate that MCP-ITP consistently outperforms the manually crafted baseline, achieving up to 84.2% ASR while suppressing the Malicious Tool Detection Rate (MDR) to as low as 0.3%.

A reliable executable environment is the foundation for ensuring that large language models solve software engineering tasks. Due to the complex and tedious construction process, large-scale configuration is relatively inefficient. However, most methods always overlook fine-grained analysis of the actions performed by the agent, making it difficult to handle complex errors and resulting in configuration failures. To address this bottleneck, we propose EvoConfig, an efficient environment configuration framework that optimizes multi-agent collaboration to build correct runtime environments. EvoConfig features an expert diagnosis module for fine-grained post-execution analysis, and a self-evolving mechanism that lets expert agents self-feedback and dynamically adjust error-fixing priorities in real time. Empirically, EvoConfig matches the previous state-of-the-art Repo2Run on Repo2Run's 420 repositories, while delivering clear gains on harder cases: on the more challenging Envbench, EvoConfig achieves a 78.1% success rate, outperforming Repo2Run by 7.1%. Beyond end-to-end success, EvoConfig also demonstrates stronger debugging competence, achieving higher accuracy in error identification and producing more effective repair recommendations than existing methods.

Training terminal agents requires scalable executable supervision, yet synthesizing high-quality terminal tasks remains challenging. Each task couples an instruction, an initialized environment, a reference solution, and an executable verifier; if these artifacts are generated from inconsistent assumptions, the resulting task may be unsolvable or incorrectly evaluated. Meanwhile, multi-stage synthesis can discard the goals, dependencies, state transitions, and procedural constraints encoded in the original sources. We present FACET (Fine-grained Agentic Construction of Executable Tasks), a framework that addresses both information preservation and cross-artifact consistency. FACET reconstructs related agent skills into coherent, information-rich scenarios, then realizes and repairs the execution environment before generating the final task artifacts. The resulting container state serves as shared grounding for the instruction, solution, and verifier, while execution-based validation and targeted repair correct artifact-specific failures without unnecessarily regenerating valid components. FACET produces complex terminal tasks with dense executable checks, and successful trajectories collected from these tasks provide effective, data-efficient supervision. Fine-tuning models across multiple scales consistently improves performance on Terminal-Bench 2.1, while analyses of alternative generation schemes support the importance of environment-grounded construction for task validity and solution-verifier alignment. These results establish source-intent preservation and shared executable-state grounding as key principles for scalable terminal-task synthesis.

Recent advances in Language Model (LM) agents and tool use, exemplified by applications like ChatGPT Plugins, enable a rich set of capabilities but also amplify potential risks - such as leaking private data or causing financial losses. Identifying these risks is labor-intensive, necessitating implementing the tools, manually setting up the environment for each test scenario, and finding risky cases. As tools and agents become more complex, the high cost of testing these agents will make it increasingly difficult to find high-stakes, long-tailed risks. To address these challenges, we introduce ToolEmu: a framework that uses an LM to emulate tool execution and enables the testing of LM agents against a diverse range of tools and scenarios, without manual instantiation. Alongside the emulator, we develop an LM-based automatic safety evaluator that examines agent failures and quantifies associated risks. We test both the tool emulator and evaluator through human evaluation and find that 68.8% of failures identified with ToolEmu would be valid real-world agent failures. Using our curated initial benchmark consisting of 36 high-stakes tools and 144 test cases, we provide a quantitative risk analysis of current LM agents and identify numerous failures with potentially severe outcomes. Notably, even the safest LM agent exhibits such failures 23.9% of the time according to our evaluator, underscoring the need to develop safer LM agents for real-world deployment.

Recent research has demonstrated that Large Language Models (LLMs) can enhance their capabilities by utilizing external tools. However, three pivotal questions remain unanswered: (1) How effective are current LLMs in utilizing tools? (2) How can we enhance LLMs' ability to utilize tools? (3) What obstacles need to be overcome to leverage tools? To address these questions, we introduce API-Bank, a groundbreaking benchmark, specifically designed for tool-augmented LLMs. For the first question, we develop a runnable evaluation system consisting of 73 API tools. We annotate 314 tool-use dialogues with 753 API calls to assess the existing LLMs' capabilities in planning, retrieving, and calling APIs. For the second question, we construct a comprehensive training set containing 1,888 tool-use dialogues from 2,138 APIs spanning 1,000 distinct domains. Using this dataset, we train Lynx, a tool-augmented LLM initialized from Alpaca. Experimental results demonstrate that GPT-3.5 exhibits improved tool utilization compared to GPT-3, while GPT-4 excels in planning. However, there is still significant potential for further improvement. Moreover, Lynx surpasses Alpaca's tool utilization performance by more than 26 pts and approaches the effectiveness of GPT-3.5. Through error analysis, we highlight the key challenges for future research in this field to answer the third question.

By providing a standardized interface for LLM agents to interact with external tools, the Model Context Protocol (MCP) is quickly becoming a cornerstone of the modern autonomous agent ecosystem. However, it creates novel attack surfaces due to untrusted external tools. While prior work has focused on attacks injected through external tool outputs, we investigate a more fundamental vulnerability: Tool Poisoning, where malicious instructions are embedded within a tool's metadata without execution. To date, this threat has been primarily demonstrated through isolated cases, lacking a systematic, large-scale evaluation. We introduce MCPTox, the first benchmark to systematically evaluate agent robustness against Tool Poisoning in realistic MCP settings. MCPTox is constructed upon 45 live, real-world MCP servers and 353 authentic tools. To achieve this, we design three distinct attack templates to generate a comprehensive suite of 1312 malicious test cases by few-shot learning, covering 10 categories of potential risks. Our evaluation on 20 prominent LLM agents setting reveals a widespread vulnerability to Tool Poisoning, with o1-mini, achieving an attack success rate of 72.8\%. We find that more capable models are often more susceptible, as the attack exploits their superior instruction-following abilities. Finally, the failure case analysis reveals that agents rarely refuse these attacks, with the highest refused rate (Claude-3.7-Sonnet) less than 3\%, demonstrating that existing safety alignment is ineffective against malicious actions that use legitimate tools for unauthorized operation. Our findings create a crucial empirical baseline for understanding and mitigating this widespread threat, and we release MCPTox for the development of verifiably safer AI agents. Our dataset is available at an anonymized repository: https://anonymous.4open.science/r/AAAI26-7C02.

Tool utilization enables Large Language Model (LLM) agents to interact with the real world and resolve complex tasks. However, existing agent frameworks predominantly rely on static toolsets composed of granular atomic actions (e.g., basic file I/O or single-turn search), which forces agents to reinvent low-level logic for every recurring workflow, leading to increased reasoning overhead and failure rates. In this study, we propose that agents can achieve self-evolution by synthesizing these atomic actions into reusable Standard Operating Procedures (SOPs), which function as callable higher-order tools that encapsulate multi-step logic. We further introduce EvoSOP, a framework that empowers agents to extract SOPs from execution trajectories and iteratively optimize the toolset through a systematic lifecycle of construction, merging, evaluation, and pruning. Extensive experiments demonstrate that EvoSOP significantly boosts task success rates while substantially reducing the number of interaction rounds compared to baselines. Our analysis also reveals that iterative tool optimization fosters reliable and efficient tool-use patterns, providing a scalable pathway for the development of self-evolving agents.

The rise of AI agent frameworks has introduced agent skills, modular packages containing instructions and executable code that dynamically extend agent capabilities. While this architecture enables powerful customization, skills execute with implicit trust and minimal vetting, creating a significant yet uncharacterized attack surface. We conduct the first large-scale empirical security analysis of this emerging ecosystem, collecting 42,447 skills from two major marketplaces and systematically analyzing 31,132 using SkillScan, a multi-stage detection framework integrating static analysis with LLM-based semantic classification. Our findings reveal pervasive security risks: 26.1% of skills contain at least one vulnerability, spanning 14 distinct patterns across four categories: prompt injection, data exfiltration, privilege escalation, and supply chain risks. Data exfiltration (13.3%) and privilege escalation (11.8%) are most prevalent, while 5.2% of skills exhibit high-severity patterns strongly suggesting malicious intent. We find that skills bundling executable scripts are 2.12x more likely to contain vulnerabilities than instruction-only skills (OR=2.12, p<0.001). Our contributions include: (1) a grounded vulnerability taxonomy derived from 8,126 vulnerable skills, (2) a validated detection methodology achieving 86.7% precision and 82.5% recall, and (3) an open dataset and detection toolkit to support future research. These results demonstrate an urgent need for capability-based permission systems and mandatory security vetting before this attack vector is further exploited.

Code generation models have increasingly become integral to aiding software development, offering assistance in tasks such as code completion, debugging, and code translation. Although current research has thoroughly examined the correctness of code produced by code generation models, a vital aspect, i.e., the efficiency of the generated code, has often been neglected. This paper presents EffiBench, a benchmark with 1,000 efficiency-critical coding problems for assessing the efficiency of code generated by code generation models. EffiBench contains a diverse set of LeetCode coding problems. Each problem is paired with an executable human-written canonical solution. With EffiBench, we empirically examine the capability of 21 Large Language Models (13 open-sourced and 8 closed-sourced) in generating efficient code. The results demonstrate that GPT-4-turbo generates the most efficient code, significantly outperforming Palm-2-chat-bison, Claude-instant-1, Gemini-pro, GPT-4, and GPT-3.5. Nevertheless, its code efficiency is still worse than the efficiency of human-written canonical solutions. In particular, the average and worst execution time of GPT-4-turbo generated code is 1.69 and 45.49 times that of the canonical solutions.

Tools serve as pivotal interfaces that enable humans to understand and reshape the world. With the advent of foundational models, AI systems can utilize tools to expand their capabilities and interact with the world. Existing tool learning methodologies, encompassing supervised fine-tuning and prompt engineering approaches, often induce language models to utilize tools indiscriminately, as complex problems often exceed their own competencies. However, introducing tools for simple tasks, which the models themselves can readily resolve, can inadvertently propagate errors rather than enhance performance. This leads to the research question: can we teach language models when and how to use tools? To meet this need, we propose Tool leaRning wIth exeCution fEedback (TRICE), a two-stage end-to-end framework that enables the model to continually learn through feedback derived from tool execution, thereby learning when and how to use tools effectively. Experimental results, backed by further analysis, show that TRICE can make the language model to selectively use tools by decreasing the model's dependency on tools while enhancing the performance. Code and datasets will be available in https://github.com/zjunlp/trice.

We present CodeNav, an LLM agent that navigates and leverages previously unseen code repositories to solve user queries. In contrast to tool-use LLM agents that require ``registration'' of all relevant tools via manual descriptions within the LLM context, CodeNav automatically indexes and searches over code blocks in the target codebase, finds relevant code snippets, imports them, and uses them to iteratively generate a solution with execution feedback. To highlight the core-capabilities of CodeNav, we first showcase three case studies where we use CodeNav for solving complex user queries using three diverse codebases. Next, on three benchmarks, we quantitatively compare the effectiveness of code-use (which only has access to the target codebase) to tool-use (which has privileged access to all tool names and descriptions). Finally, we study the effect of varying kinds of tool and library descriptions on code-use performance, as well as investigate the advantage of the agent seeing source code as opposed to natural descriptions of code. All code will be made open source under a permissive license.

It is essential to detect functional differences in various software engineering tasks, such as automated program repair, mutation testing, and code refactoring. The problem of detecting functional differences between two programs can be reduced to searching for a difference exposing test (DET): a test input that results in different outputs on the subject programs. In this paper, we propose Mokav, a novel execution-driven tool that leverages LLMs to generate DETs. Mokav takes two versions of a program (P and Q) and an example test input. When successful, Mokav generates a valid DET, a test input that leads to different outputs on P and Q. Mokav iteratively prompts an LLM with a specialized prompt to generate new test inputs. At each iteration, Mokav provides execution-based feedback regarding previously generated tests until the LLM produces a DET. We evaluate Mokav on 1,535 pairs of Python programs collected from the Codeforces competition platform and 32 pairs of programs from the QuixBugs dataset. Our experiments show that Mokav outperforms the state-of-the-art, Pynguin and Differential Prompting, by a large margin. Mokav can generate DETs for 81.7% (1,255/1,535) of the program pairs in our benchmark (versus 4.9% for Pynguin and 37.3% for Differential Prompting). We demonstrate that all components in our system, including the iterative and execution-driven approaches, contribute to its high effectiveness.

Large Language Models (LLMs) have made significant strides in code generation and problem solving. Current approaches employ external tool-based iterative debuggers that use compiler or other tool-based runtime feedback to refine coarse programs generated by various methods. However, the effectiveness of these approaches heavily relies on the quality of the initial code generation, which remains an open challenge. In this paper, we introduce CodeSim, a novel multi-agent code generation framework that comprehensively addresses the stages of program synthesis-planning, coding, and debugging-through a human-like perception approach. As human verifies their understanding of any algorithms through visual simulation, CodeSim uniquely features a method of plan verification and internal debugging through the step-by-step simulation of input/output. Extensive experiments across seven challenging competitive problem-solving and program synthesis benchmarks demonstrate CodeSim's remarkable code generation capabilities. Our framework achieves new state-of-the-art (pass@1) results-(HumanEval 95.1%, MBPP 90.7%, APPS 22%, and CodeContests 29.1%). Furthermore, our method shows potential for even greater enhancement when cascaded with external debuggers. To facilitate further research and development in this area, we have open-sourced our framework in this link (https://kagnlp.github.io/codesim.github.io/).

Agent Skills package reusable instructions and assets for tool-using language-model agents. Progressive loading creates failure boundaries poorly represented by session-, model-, or tool-centric traces: a Skill can be discovered but not activated, activated without instructions, or appear successful without an independently verified outcome. We present Skill Runtime Intelligence, a passive runtime-intelligence system that reconstructs supported Skill-lifecycle stages across heterogeneous harnesses while preserving unsupported stages as unknown. Its Run Panorama separates immutable events, deterministic relations, inferred diagnoses, and controlled outcomes with four evidence grades; optional trace import and OTLP/HTTP export support existing observability deployments. Across six frozen repository profiles, three coding agents, and seven clean or fault-injected conditions, all 126 executions preserve source worktrees and each correlates to exactly one source session. Yet adapters expose three distinct semantics: no Skill runs; complete runs but no failure-like events; or failure-like events in every operational-failure and clean session. In a seven-template diagnostic study, semantic aliases and Panorama localize the same six non-clean boundaries but differ in exact/status behavior; both Raw views emit a failure status on all 18 clean cases, while Panorama emits none. A known-rule graph conforms to 126/126 frozen contracts, whereas a second model completes only 228/378 calls. These observations motivate executable adapter qualification and show that event presence is not boundary fidelity, composite exact scores mask distinct errors, and model explanations must not overwrite deterministic facts.

Large Language Models (LLMs) increasingly act as agents whose procedural knowledge is stored in reusable skill packages and loaded at inference time. As skill libraries grow, a central challenge is to expose the smallest sufficient executable context under a limited context budget. Existing systems struggle to reuse routines below the whole-skill level, preserve procedural contracts during compression, keep compressed routines executable and expandable, and update the compressed library as skills evolve. These challenges reveal a unit mismatch: skills are retrieved as packages, compressed as text, and converted into execution graphs only after retrieval, whereas reliable reuse requires a contract-bearing procedural unit. We propose SkillZip, an execution-aware procedural abstraction framework that performs contract-preserving compression over section-level graphs. SkillZip rewrites recurring contract-valid motifs into reversible ported macros while preserving boundary signatures, dependency closure, verifier reachability, and source-level expansion. At inference time, it hydrates a compact, dependency-closed context and expands macros only when required. ReZip further integrates new skills and revises risky macros using execution evidence. Comprehensive experiments1 on technical and embodied agent benchmarks show SkillZip consistently outperforms the strongest baseline by up to 12.2 points, while achieving a 3.46x compression ratio with 99.2% dependency preservation and 98.7% verifier reachability. Scaling analyses further confirm robust retrieval across skill libraries ranging from 200 to 100K skills.

The goal of decompilation is to convert compiled low-level code (e.g., assembly code) back into high-level programming languages, enabling analysis in scenarios where source code is unavailable. This task supports various reverse engineering applications, such as vulnerability identification, malware analysis, and legacy software migration. The end-to-end decompile method based on large langauge models (LLMs) reduces reliance on additional tools and minimizes manual intervention due to its inherent properties. However, previous end-to-end methods often lose critical information necessary for reconstructing control flow structures and variables when processing binary files, making it challenging to accurately recover the program's logic. To address these issues, we propose the ReF Decompile method, which incorporates the following innovations: (1) The Relabelling strategy replaces jump target addresses with labels, preserving control flow clarity. (2) The Function Call strategy infers variable types and retrieves missing variable information from binary files. Experimental results on the Humaneval-Decompile Benchmark demonstrate that ReF Decompile surpasses comparable baselines and achieves state-of-the-art (SOTA) performance of 61.43%.

In this paper we present a Java-to-Python (J2P) and Python-to-Java (P2J) back-to-back code translation method, and associated tool called CoTran, based on large language models (LLMs). Our method leverages the attention mechanism of LLMs, compilation, and symbolic execution-based test generation for equivalence testing between the input and output programs. More precisely, we modify the typical LLM training loop to incorporate compiler and symbolic execution loss. Via extensive experiments comparing CoTran with 10 other transpilers and LLM-based translation tools over a benchmark of more than 57,000 Java-Python equivalent pairs, we show that CoTran outperforms them on relevant metrics such as compilation and runtime equivalence accuracy. For example, our tool gets 97.43% compilation accuracy and 49.66% runtime equivalence accuracy for J2P translation, whereas the nearest competing tool only gets 96.44% and 6.8% respectively.

Code LLMs still struggle with code execution reasoning, especially in smaller models. Existing methods rely on supervised fine-tuning (SFT) with teacher-generated explanations, primarily in two forms: (1) input-output (I/O) prediction chains and (2) natural-language descriptions of execution traces. However, intermediate execution steps cannot be explicitly verified during SFT, so the training objective can reduce to merely matching teacher explanations. Moreover, training data is typically collected without explicit control over task difficulty. We introduce ExecVerify, which goes beyond text imitation by incorporating verifiable white-box rewards derived from execution traces, including next-statement prediction and variable value/type prediction. Our work first builds a dataset with multiple difficulty levels via constraint-based program synthesis. Then, we apply reinforcement learning (RL) to reward correct answers about both intermediate execution steps and final outputs, aligning the training objective with semantic correctness at each execution step. Finally, we adopt a two-stage training pipeline that first enhances execution reasoning and then transfers to code generation. Experiments demonstrate that a 7B model trained with ExecVerify achieves performance comparable to 32B models on code reasoning benchmarks and improves pass@1 by up to 5.9\% on code generation tasks over strong post-training baselines.

Tool agents--LLM-based systems that interact with external APIs--offer a way to execute real-world tasks. However, as tasks become increasingly complex, these agents struggle to identify and call the correct APIs in the proper order. To tackle this problem, we investigate converting API documentation into a structured API graph that captures API dependencies and leveraging it for multi-tool queries that require compositional API calls. To support this, we introduce In-N-Out, the first expert-annotated dataset of API graphs built from two real-world API benchmarks and their documentation. Using In-N-Out significantly improves performance on both tool retrieval and multi-tool query generation, nearly doubling that of LLMs using documentation alone. Moreover, graphs generated by models fine-tuned on In-N-Out close 90% of this gap, showing that our dataset helps models learn to comprehend API documentation and parameter relationships. Our findings highlight the promise of using explicit API graphs for tool agents and the utility of In-N-Out as a valuable resource. We release our dataset and code at https://github.com/holi-lab/In-N-Out-API-Graph.

Agentic AI coding editors driven by large language models have recently become more popular due to their ability to improve developer productivity during software development. Modern editors such as Cursor are designed not just for code completion, but also with more system privileges for complex coding tasks (e.g., run commands in the terminal, access development environments, and interact with external systems). While this brings us closer to the "fully automated programming" dream, it also raises new security concerns. In this study, we present the first empirical analysis of prompt injection attacks targeting these high-privilege agentic AI coding editors. We show how attackers can remotely exploit these systems by poisoning external development resources with malicious instructions, effectively hijacking AI agents to run malicious commands, turning "your AI" into "attacker's shell". To perform this analysis, we implement AIShellJack, an automated testing framework for assessing prompt injection vulnerabilities in agentic AI coding editors. AIShellJack contains 314 unique attack payloads that cover 70 techniques from the MITRE ATT&CK framework. Using AIShellJack, we conduct a large-scale evaluation on GitHub Copilot and Cursor, and our evaluation results show that attack success rates can reach as high as 84% for executing malicious commands. Moreover, these attacks are proven effective across a wide range of objectives, ranging from initial access and system discovery to credential theft and data exfiltration.

With advances in decision-making and reasoning capabilities, multimodal agents show strong potential in computer application scenarios. Past evaluations have mainly assessed GUI interaction skills, while tool invocation abilities, such as those enabled by the Model Context Protocol (MCP), have been largely overlooked. Comparing agents with integrated tool invocation to those evaluated only on GUI interaction is inherently unfair. We present OSWorld-MCP, the first comprehensive and fair benchmark for assessing computer-use agents' tool invocation, GUI operation, and decision-making abilities in a real-world environment. We design a novel automated code-generation pipeline to create tools and combine them with a curated selection from existing tools. Rigorous manual validation yields 158 high-quality tools (covering 7 common applications), each verified for correct functionality, practical applicability, and versatility. Extensive evaluations of state-of-the-art multimodal agents on OSWorld-MCP show that MCP tools generally improve task success rates (e.g., from 8.3% to 20.4% for OpenAI o3 at 15 steps, from 40.1% to 43.3% for Claude 4 Sonnet at 50 steps), underscoring the importance of assessing tool invocation capabilities. However, even the strongest models have relatively low tool invocation rates, Only 36.3%, indicating room for improvement and highlighting the benchmark's challenge. By explicitly measuring MCP tool usage skills, OSWorld-MCP deepens understanding of multimodal agents and sets a new standard for evaluating performance in complex, tool-assisted environments. Our code, environment, and data are publicly available at https://osworld-mcp.github.io.

Recent agent benchmarks increasingly ground evaluation in executable environments, from code repair to web navigation, app APIs, and function calling. Yet completing consequential work beyond code requires more than producing a plausible response or valid tool call: agents must gather missing information over multiple turns, follow domain policies, coordinate dependent tools, and realize the correct persistent state transition without collateral effects. In this paper, we introduce Thinkingbox, a sandbox for tool-agent-user interaction that provides isolated MCP-compatible tool sessions, complete execution traces, and outcome evaluation over terminal backend state. Built on this sandbox, Thinkingbox-bench contains 507 policy-conditioned workflows across numerous scenarios, including retail, hospitality, auto insurance, neobank internal IT, and consulting IT/HR support. Each attempt is evaluated by task-specific executable checks that accept valid trajectories while rejecting wrong, missing, or extra effects; designated tasks additionally check required properties of the final response. Across proprietary and open-weight models, the strongest achieves 65.36% pass@1, but only 25.25% pass^20. Moreover, many failed trials show clean termination and valid state-changing actions, showing that response or tool-call-level signals are not clear proxies for end-to-end task completion. Thinkingbox-bench reveals a large gap between occasionally finding a successful trajectory and reliably completing stateful business tasks. We release both Thinkingbox and Thinkingbox-Bench: https://github.com/microsoft/thinkingbox

Executable evaluation -- checking the consequences of an agent's actions with a program rather than grading its prose -- has become a prominent way to assess tool-using AI agents in software settings. Electric power engineering has not yet had an analogous benchmark: language-model use is still dominated by retrieval and text question answering, while agents acting on power-system artifacts remain mostly academic prototypes. We introduce the Power Systems Agent Benchmark, an executable benchmark for power-engineering agents. An agent receives a structured task and returns a structured solution; a deterministic evaluator recomputes the engineering quantities, checks operational constraints, and returns a feasibility flag, a normalized score, and explicit violations. The benchmark contains 41 task families across eight areas of power engineering, from power flow and protection to stability, microgrids, reliability, power quality, and forecasting. Each task is grounded in a citable source, standard, or documented engineering formulation. To resist contamination, held-out cases are synthesized on demand by per-family generators from private seeds: the construction is inspectable, but the instances remain private. In a reference evaluation with three command-line agents, the strongest score near the compact tier's ceiling, a smaller open model trails, and public and held-out performance are broadly consistent; a separate public-split grid with OpenCode and Aider probes harness effects. The reference evaluation doubles as quality control: unanimous failures flag candidate task or evaluator defects, and it exposed a latent evaluator bug missed by self-consistency checks. The evaluators are compact deterministic surrogates, but the task contract allows their internals to be upgraded to simulator-backed checks without changing how tasks are posed or solved.

Safety alignment mechanisms in large language models prevent responses to harmful queries through learned refusal behavior, yet these same mechanisms impede legitimate research applications including cognitive modeling, adversarial testing, and security analysis. While abliteration techniques enable surgical removal of refusal representations through directional orthogonalization, the relative effectiveness of available implementations remains uncharacterized. This study evaluates four abliteration tools (Heretic, DECCP, ErisForge, FailSpy) across sixteen instruction-tuned models (7B-14B parameters), reporting tool compatibility on all 16 models and quantitative metrics on subsets dictated by tool support. Single-pass methods demonstrated superior capability preservation on the benchmarked subset (avg GSM8K change across three models: ErisForge -0.28 pp; DECCP -0.13 pp), while Bayesian-optimized abliteration produced variable distribution shift (KL divergence: 0.043-1.646) with model-dependent capability impact. These findings provide researchers with evidence-based selection criteria for abliteration tool deployment across diverse model architectures. The principal finding indicates that mathematical reasoning capabilities exhibit the highest sensitivity to abliteration interventions, with GSM8K change ranging from +1.51 pp to -18.81 pp (-26.5% relative) depending on tool selection and model architecture.

Code efficiency is a fundamental aspect of software quality, yet how to harness large language models (LLMs) to optimize programs remains challenging. Prior approaches have sought for one-shot rewriting, retrieved exemplars, or prompt-based search, but they do not explicitly distill reusable optimization knowledge, which limits generalization beyond individual instances. In this paper, we present EffiSkill, a framework for code-efficiency optimization that builds a portable optimization toolbox for LLM-based agents. The key idea is to model recurring slow-to-fast transformations as reusable agent skills that capture both concrete transformation mechanisms and higher-level optimization strategies. EffiSkill adopts a two-stage design: Stage I mines Operator and Meta Skills from large-scale slow/fast program pairs to build a skill library; Stage II applies this library to unseen programs through execution-free diagnosis, skill retrieval, plan composition, and candidate generation, without runtime feedback. Results on EffiBench-X show that EffiSkill achieves higher optimization success rates, improving over the strongest baseline by 3.69 to 12.52 percentage points across model and language settings. These findings suggest that mechanism-level skill reuse provides a useful foundation for execution-free code optimization, and that the resulting skill library can serve as a reusable resource for broader agent workflows.

Tool-augmented LLMs are increasingly deployed as agents that interleave natural-language reasoning with executable Python actions, as in CodeAct-style frameworks. In deployment, these agents rely on runtime state that persists across steps. By contrast, common training pipelines treat agent traces as token sequences, with execution semantics left implicit. This raises a data-centric question: Is state persistence merely an inference-time scaffold, or can models learn to exploit it when training data exposes the corresponding execution semantics? We isolate state persistence as a training-time variable. We introduce Opaque Knapsack, a procedurally generated family of partially observable optimization tasks designed to prevent one-shot solutions. Item attributes and constraints are hidden behind budgeted tool calls, forcing multi-turn control flow and iterative state revision. Holding task instances, prompts, tools, model, and supervision fixed, we generate paired trajectories differing only in whether interpreter state persists across steps or resets after each action. We then fine-tune identical base models (Qwen3-8B) on each trace variant and evaluate all four train-runtime combinations. Our 2x2 cross-evaluation shows that execution semantics primarily affect how agents reach solutions, not whether they do: solution quality is statistically indistinguishable across conditions, but token cost and stability differ substantially. A persistent-trained model in a stateless runtime triggers missing-variable errors in roughly 80% of episodes; a stateless-trained model in a persistent runtime redundantly re-derives retained state, using roughly 3.5x more tokens. Interpreter persistence should be treated as a first-class semantic of agent traces. Aligning fine-tuning data with deployment runtimes improves efficiency and reduces brittle train-runtime mismatches.

Large language models (LLMs) are often augmented with tools to solve complex tasks. By generating code snippets and executing them through task-specific Application Programming Interfaces (APIs), they can offload certain functions to dedicated external modules, such as image encoding and performing calculations. However, most existing approaches to augment LLMs with tools are constrained by general-purpose APIs and lack the flexibility for tailoring them to specific tasks. In this work, we present CRAFT, a general tool creation and retrieval framework for LLMs. It creates toolsets specifically curated for the tasks and equips LLMs with a component that retrieves tools from these sets to enhance their capability to solve complex tasks. For each task, we collect specific code solutions by prompting GPT-4 to solve the training examples. Following a validation step ensuring the correctness, these solutions are abstracted into code snippets to enhance reusability, and deduplicated for higher quality. At inference time, the language model retrieves snippets from the toolsets and then executes them or generates the output conditioning on the retrieved snippets. Our method is designed to be flexible and offers a plug-and-play approach to adapt off-the-shelf LLMs to unseen domains and modalities, without any finetuning. Experiments on vision-language, tabular processing, and mathematical reasoning tasks show that our approach achieves substantial improvements compared to strong baselines. In addition, our in-depth analysis reveals that: (1) consistent performance improvement can be achieved by scaling up the number of tools and the capability of the backbone models; (2) each component of our approach contributes to the performance gains; (3) the created tools are well-structured and reliable with low complexity and atomicity. The code is available at https://github.com/lifan-yuan/CRAFT.

The landscape of software development has witnessed a paradigm shift with the advent of AI-powered assistants, exemplified by GitHub Copilot. However, existing solutions are not leveraging all the potential capabilities available in an IDE such as building, testing, executing code, git operations, etc. Therefore, they are constrained by their limited capabilities, primarily focusing on suggesting code snippets and file manipulation within a chat-based interface. To fill this gap, we present AutoDev, a fully automated AI-driven software development framework, designed for autonomous planning and execution of intricate software engineering tasks. AutoDev enables users to define complex software engineering objectives, which are assigned to AutoDev's autonomous AI Agents to achieve. These AI agents can perform diverse operations on a codebase, including file editing, retrieval, build processes, execution, testing, and git operations. They also have access to files, compiler output, build and testing logs, static analysis tools, and more. This enables the AI Agents to execute tasks in a fully automated manner with a comprehensive understanding of the contextual information required. Furthermore, AutoDev establishes a secure development environment by confining all operations within Docker containers. This framework incorporates guardrails to ensure user privacy and file security, allowing users to define specific permitted or restricted commands and operations within AutoDev. In our evaluation, we tested AutoDev on the HumanEval dataset, obtaining promising results with 91.5% and 87.8% of Pass@1 for code generation and test generation respectively, demonstrating its effectiveness in automating software engineering tasks while maintaining a secure and user-controlled development environment.

Sequence models for binary analysis are bottlenecked by byte-level tokenization: raw bytes waste precious context window capacity for transformers and other neural network architectures, and many existing text-oriented tokenizers fail on arbitrary 0x00--0xFF sequences. To address this issue, we introduce the Binary BPE tokenizer family, a set of cross-platform Byte Pair Encoding (BPE) tokenizers for executables trained on a large corpus of binaries spanning multiple platforms, architectures, and operating systems, including Linux, Windows, macOS, Android, and malware sources. We release trained tokenizers with vocabularies of 4K, 8K, 16K, 32K, and 64K tokens, enabling both systematic scaling studies and practical deployment from resource-constrained edge devices to high-throughput datacenters. These tokenizers discover interpretable patterns (ELF/PE headers, instruction sequences, cross-platform strings) while yielding multi-byte compression per token. On representative uncompressed executables (e.g., ELF/PE/Mach-O rather than compressed APKs), the Binary BPE tokenizers typically allow for roughly 2-3x more binary content per fixed-length transformer context window than raw bytes, enabling more efficient research and practical deployment for content identification, malware detection, reverse engineering, and optimization. We release the trained Binary BPE tokenizers on HuggingFace, providing a drop-in, open-source foundation for binary-focused language models and context-efficient agentic tools.