Daily Papers

Small language models (SLMs; 1-12B params, sometimes up to 20B) are sufficient and often superior for agentic workloads where the objective is schema- and API-constrained accuracy rather than open-ended generation. We synthesize recent evidence across open and proprietary SLMs (Phi-4-Mini, Qwen-2.5-7B, Gemma-2-9B, Llama-3.2-1B/3B, Ministral-3B/8B, Apple on-device 3B, DeepSeek-R1-Distill) and connect it to modern evaluations (BFCL v3/v4, StableToolBench) and serving stacks (vLLM, SGLang, TensorRT-LLM) paired with guided decoding libraries (XGrammar, Outlines). We formalize SLM-default, LLM-fallback systems with uncertainty-aware routing and verifier cascades, and propose engineering metrics that reflect real production goals: cost per successful task (CPS), schema validity rate, executable call rate, p50/p95 latency, and energy per request. Guided decoding, strict JSON Schema outputs, and validator-first tool execution close much of the capability gap with larger models and often let SLMs match or surpass LLMs on tool use, function calling, and RAG at 10x-100x lower token cost with materially better latency and energy. We provide design patterns for agent stacks that prioritize SLMs: schema-first prompting, type-safe function registries, confidence scoring with verifier rollups, and lightweight adaptation via LoRA/QLoRA. We also delineate limits where fallback remains valuable (open-domain reasoning and some long-horizon planning). The result is a practical blueprint for building fast, inexpensive, and reliable agents that default to SLMs while preserving headroom with targeted LLM assistance. Keywords: small language models, agents, function calling, structured outputs, JSON Schema, guided decoding, LoRA/QLoRA, routing, energy efficiency, edge inference

Tool-using automation systems, from scripts and CI bots to agentic assistants, fail in recurring patterns. Common failures include unsafe side effects, invalid arguments, uncontrolled retries, and leakage of sensitive outputs. Many mitigations are model-centric and prompt-dependent, so they are brittle and do not generalize to non-LLM callers. We present Policy-First Tooling, a model-agnostic permission layer that mediates tool invocation through explicit constraints, risk-aware gating, recovery controls, and auditable explanations. The paper contributes a compact policy DSL, a runtime enforcement architecture with actionable rationale and fix hints, and a reproducible benchmark based on trace replay with controlled fault and misuse injection. In 225 controlled runs across five policy packs and three fault profiles, stricter packs improve violation prevention from 0.000 in P0 to 0.681 in P4, while task success drops from 0.356 to 0.067. Retry amplification decreases from 3.774 in P0 to 1.378 in P4, and leakage recall reaches 0.875 under injected secret outputs. These results make safety to utility trade-offs explicit and measurable.

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.

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.

We introduce MacroBench, a code-first benchmark that evaluates whether LLMs can synthesize reusable browser-automation programs (macros) from natural-language goals by reading HTML/DOM and emitting Selenium. MacroBench instantiates seven self-hosted sites covering 681 tasks across interaction complexity and targeting difficulty. Our end-to-end protocol validates generated code via static checks, sandboxed execution, and outcome verification (DOM assertions, database snapshots), and includes a safety suite for scraping, spam/abuse, and credential/privacy prompts. Across 2,636 model-task runs, we observe stratified success: GPT-4o-mini (96.8%), GPT-4o (95.3%), Gemini (89.0%), DeepSeek (83.4%). Models handle simple tasks reliably (91.7%) but fail on complex workflows (0.0%), and none meet production-quality coding practices despite functional completion. We release our complete benchmark pipeline, evaluation framework, and experimental results at https://github.com/hyunjun1121/MacroBench to enable reproducible assessment of macro synthesis for web automation.

The Model Context Protocol (MCP) defines a schema bound execution model for agent-tool interaction, enabling modular computer vision workflows without retraining. To our knowledge, this is the first protocol level, deployment scale audit of MCP in vision systems, identifying systemic weaknesses in schema semantics, interoperability, and runtime coordination. We analyze 91 publicly registered vision centric MCP servers, annotated along nine dimensions of compositional fidelity, and develop an executable benchmark with validators to detect and categorize protocol violations. The audit reveals high prevalence of schema format divergence, missing runtime schema validation, undeclared coordinate conventions, and reliance on untracked bridging scripts. Validator based testing quantifies these failures, with schema format checks flagging misalignments in 78.0 percent of systems, coordinate convention checks detecting spatial reference errors in 24.6 percent, and memory scope checks issuing an average of 33.8 warnings per 100 executions. Security probes show that dynamic and multi agent workflows exhibit elevated risks of privilege escalation and untyped tool connections. The proposed benchmark and validator suite, implemented in a controlled testbed and to be released on GitHub, establishes a reproducible framework for measuring and improving the reliability and security of compositional vision workflows.

Tool-integrated agents that interleave reasoning with API calls are promising for complex tasks, yet aligning them for high-stakes, domain-specific deployment remains challenging: existing reinforcement learning approaches rely on coarse binary rewards that cannot distinguish tool selection errors from malformed parameters. We present ToolRLA, a three-stage post-training pipeline (SFT -> GRPO -> DPO) for domain-specific tool agents. The core contribution is a fine-grained reward function with multiplicative correctness decomposition spanning four dimensions -- format validity, tool selection, parameter accuracy, and regulatory compliance -- that encodes domain priority orderings as inductive biases in the reward landscape. Deployed on a financial advisory copilot (80+ advisors, 1,200+ daily queries), ToolRLA achieves over three months: a 47% improvement in task completion rate (62%->91%), a 63% reduction in tool invocation errors (38%->14%), and a 93% reduction in regulatory violations (12%->0.8%), within sub-2-second latency. Ablation studies show the multiplicative reward design accounts for 7 percentage points of improvement over additive alternatives. Generalization is further validated on ToolBench and API-Bank.

Large Language Models (LLMs) augmented with external tools have demonstrated remarkable capabilities in complex reasoning tasks. However, existing frameworks rely heavily on natural language reasoning to determine when tools can be invoked and whether their results should be committed, lacking formal guarantees for logical safety and verifiability. We present ToolGate, a forward execution framework that provides logical safety guarantees and verifiable state evolution for LLM tool calling. ToolGate maintains an explicit symbolic state space as a typed key-value mapping representing trusted world information throughout the reasoning process. Each tool is formalized as a Hoare-style contract consisting of a precondition and a postcondition, where the precondition gates tool invocation by checking whether the current state satisfies the required conditions, and the postcondition determines whether the tool's result can be committed to update the state through runtime verification. Our approach guarantees that the symbolic state evolves only through verified tool executions, preventing invalid or hallucinated results from corrupting the world representation. Experimental validation demonstrates that ToolGate significantly improves the reliability and verifiability of tool-augmented LLM systems while maintaining competitive performance on complex multi-step reasoning tasks. This work establishes a foundation for building more trustworthy and debuggable AI systems that integrate language models with external tools.

Tool-augmented LLM agents increasingly rely on multi-step, multi-tool workflows to complete real tasks. This design expands the attack surface, because data produced by one tool can be persisted and later reused as input to another tool, enabling exploitable source-to-sink dataflows that only emerge through tool composition. We study this risk as multi-tool vulnerabilities in LLM agents, and show that existing discovery efforts focused on single-tool or single-hop testing miss these long-horizon behaviors and provide limited debugging value. We present ChainFuzzer, a greybox framework for discovering and reproducing multi-tool vulnerabilities with auditable evidence. ChainFuzzer (i) identifies high-impact operations with strict source-to-sink dataflow evidence and extracts plausible upstream candidate tool chains based on cross-tool dependencies, (ii) uses Trace-guided Prompt Solving (TPS) to synthesize stable prompts that reliably drive the agent to execute target chains, and (iii) performs guardrail-aware fuzzing to reproduce vulnerabilities under LLM guardrails via payload mutation and sink-specific oracles. We evaluate ChainFuzzer on 20 popular open-source LLM agent apps (998 tools). ChainFuzzer extracts 2,388 candidate tool chains and synthesizes 2,213 stable prompts, confirming 365 unique, reproducible vulnerabilities across 19/20 apps (302 require multi-tool execution). Component evaluation shows tool-chain extraction achieves 96.49% edge precision and 91.50% strict chain precision; TPS increases chain reachability from 27.05% to 95.45%; guardrail-aware fuzzing boosts payload-level trigger rate from 18.20% to 88.60%. Overall, ChainFuzzer achieves 3.02 vulnerabilities per 1M tokens, providing a practical foundation for testing and hardening real-world multi-tool agent systems.

Solving problems through tool use under explicit constraints constitutes a highly challenging yet unavoidable scenario for large language models (LLMs), requiring capabilities such as function calling, instruction following, and self-refinement. However, progress has been hindered by the absence of dedicated evaluations. To address this, we introduce CCTU, a benchmark for evaluating LLM tool use under complex constraints. CCTU is grounded in a taxonomy of 12 constraint categories spanning four dimensions (i.e., resource, behavior, toolset, and response). The benchmark comprises 200 carefully curated and challenging test cases across diverse tool-use scenarios, each involving an average of seven constraint types and an average prompt length exceeding 4,700 tokens. To enable reliable evaluation, we develop an executable constraint validation module that performs step-level validation and enforces compliance during multi-turn interactions between models and their environments. We evaluate nine state-of-the-art LLMs in both thinking and non-thinking modes. Results indicate that when strict adherence to all constraints is required, no model achieves a task completion rate above 20%. Further analysis reveals that models violate constraints in over 50% of cases, particularly in the resource and response dimensions. Moreover, LLMs demonstrate limited capacity for self-refinement even after receiving detailed feedback on constraint violations, highlighting a critical bottleneck in the development of robust tool-use agents. To facilitate future research, we release the data and code.

Constructing large-scale datasets for the GitHub issue resolution task is crucial for both training and evaluating the software engineering capabilities of Large Language Models (LLMs). However, the traditional process for creating such benchmarks is notoriously challenging and labor-intensive, particularly in the stages of setting up evaluation environments, grading test outcomes, and validating task instances. In this paper, we propose SWE-Factory, an automated pipeline designed to address these challenges. To tackle these issues, our pipeline integrates three core automated components. First, we introduce SWE-Builder, a multi-agent system that automates evaluation environment construction, which employs four specialized agents that work in a collaborative, iterative loop and leverages an environment memory pool to enhance efficiency. Second, we introduce a standardized, exit-code-based grading method that eliminates the need for manually writing custom parsers. Finally, we automate the fail2pass validation process using these reliable exit code signals. Experiments on 671 issues across four programming languages show that our pipeline can effectively construct valid task instances; for example, with GPT-4.1-mini, our SWE-Builder constructs 269 valid instances at 0.045 per instance, while with Gemini-2.5-flash, it achieves comparable performance at the lowest cost of 0.024 per instance. We also demonstrate that our exit-code-based grading achieves 100% accuracy compared to manual inspection, and our automated fail2pass validation reaches a precision of 0.92 and a recall of 1.00. We hope our automated pipeline will accelerate the collection of large-scale, high-quality GitHub issue resolution datasets for both training and evaluation. Our code and datasets are released at https://github.com/DeepSoftwareAnalytics/swe-factory.

As software projects progress, quality of code assumes paramount importance as it affects reliability, maintainability and security of software. For this reason, static analysis tools are used in developer workflows to flag code quality issues. However, developers need to spend extra efforts to revise their code to improve code quality based on the tool findings. In this work, we investigate the use of (instruction-following) large language models (LLMs) to assist developers in revising code to resolve code quality issues. We present a tool, CORE (short for COde REvisions), architected using a pair of LLMs organized as a duo comprised of a proposer and a ranker. Providers of static analysis tools recommend ways to mitigate the tool warnings and developers follow them to revise their code. The proposer LLM of CORE takes the same set of recommendations and applies them to generate candidate code revisions. The candidates which pass the static quality checks are retained. However, the LLM may introduce subtle, unintended functionality changes which may go un-detected by the static analysis. The ranker LLM evaluates the changes made by the proposer using a rubric that closely follows the acceptance criteria that a developer would enforce. CORE uses the scores assigned by the ranker LLM to rank the candidate revisions before presenting them to the developer. CORE could revise 59.2% Python files (across 52 quality checks) so that they pass scrutiny by both a tool and a human reviewer. The ranker LLM is able to reduce false positives by 25.8% in these cases. CORE produced revisions that passed the static analysis tool in 76.8% Java files (across 10 quality checks) comparable to 78.3% of a specialized program repair tool, with significantly much less engineering efforts.

The ability of large language models (LLMs) to utilize external tools has enabled them to tackle an increasingly diverse range of tasks. However, as the tasks become more complex and long-horizon, the intricate tool utilization process may trigger various unexpected errors. Therefore, how to effectively handle such errors, including identifying, diagnosing, and recovering from them, has emerged as a key research direction for advancing tool learning. In this work, we first extensively analyze the types of errors encountered during the function-calling process on several competitive tool evaluation benchmarks. Based on it, we introduce CRITICTOOL, a comprehensive critique evaluation benchmark specialized for tool learning. Building upon a novel evolutionary strategy for dataset construction, CRITICTOOL holds diverse tool-use errors with varying complexities, which better reflects real-world scenarios. We conduct extensive experiments on CRITICTOOL, and validate the generalization and effectiveness of our constructed benchmark strategy. We also provide an in-depth analysis of the tool reflection ability on various LLMs, offering a new perspective on the field of tool learning in LLMs. The code is available at https://github.com/Shellorley0513/CriticTool{https://github.com/Shellorley0513/CriticTool}.

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

The advent of large language models (LLMs) has greatly facilitated code generation, but ensuring the functional correctness of generated code remains a challenge. Traditional validation methods are often time-consuming, error-prone, and impractical for large volumes of code. We introduce CodeSift, a novel framework that leverages LLMs as the first-line filter of code validation without the need for execution, reference code, or human feedback, thereby reducing the validation effort. We assess the effectiveness of our method across three diverse datasets encompassing two programming languages. Our results indicate that CodeSift outperforms state-of-the-art code evaluation methods. Internal testing conducted with subject matter experts reveals that the output generated by CodeSift is in line with human preference, reinforcing its effectiveness as a dependable automated code validation tool.

We present JAttack, a framework that enables template-based testing for compilers. Using JAttack, a developer writes a template program that describes a set of programs to be generated and given as test inputs to a compiler. Such a framework enables developers to incorporate their domain knowledge on testing compilers, giving a basic program structure that allows for exploring complex programs that can trigger sophisticated compiler optimizations. A developer writes a template program in the host language (Java) that contains holes to be filled by JAttack. Each hole, written using a domain-specific language, constructs a node within an extended abstract syntax tree (eAST). An eAST node defines the search space for the hole, i.e., a set of expressions and values. JAttack generates programs by executing templates and filling each hole by randomly choosing expressions and values (available within the search space defined by the hole). Additionally, we introduce several optimizations to reduce JAttack's generation cost. While JAttack could be used to test various compiler features, we demonstrate its capabilities in helping test just-in-time (JIT) Java compilers, whose optimizations occur at runtime after a sufficient number of executions. Using JAttack, we have found six critical bugs that were confirmed by Oracle developers. Four of them were previously unknown, including two unknown CVEs (Common Vulnerabilities and Exposures). JAttack shows the power of combining developers' domain knowledge (via templates) with random testing to detect bugs in JIT compilers.

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.

Large Language Models (LLMs), particularly Code LLMs, have demonstrated impressive performance in code generation. Current research primarily focuses on the correctness of generated code, while efficiency remains less explored. Recent works have focused on modifying the initial version of the code to improve its efficiency. However, such refinements are limited by the algorithmic design and overall logic of the initial code, resulting in only incremental improvements. In contrast, when human developers write high-quality code, they typically begin by designing several potential solutions at the logical level, evaluating various algorithms and their complexities, and then proceeding to implement and optimize the solution. In this study, we introduce \tool: Large Language Model for Code Efficiency, a novel framework that enables LLMs to generate code that balances both efficiency and correctness. Specifically, \tool divides the efficiency optimization process into two domains: algorithmic exploration in the logic domain and implementation optimization in the code domain. The correctness of the code is then guaranteed through a synthetic test case refinement process. This approach, which prioritizes efficiency before ensuring correctness, offers a new paradigm for efficient code generation. Experiments demonstrate that \tool consistently improves both efficiency and correctness, achieving new state-of-the-art performance in code efficiency benchmarks across various LLM backbones.

Due to the cumbersome nature of human evaluation and limitations of code-based evaluation, Large Language Models (LLMs) are increasingly being used to assist humans in evaluating LLM outputs. Yet LLM-generated evaluators simply inherit all the problems of the LLMs they evaluate, requiring further human validation. We present a mixed-initiative approach to ``validate the validators'' -- aligning LLM-generated evaluation functions (be it prompts or code) with human requirements. Our interface, EvalGen, provides automated assistance to users in generating evaluation criteria and implementing assertions. While generating candidate implementations (Python functions, LLM grader prompts), EvalGen asks humans to grade a subset of LLM outputs; this feedback is used to select implementations that better align with user grades. A qualitative study finds overall support for EvalGen but underscores the subjectivity and iterative process of alignment. In particular, we identify a phenomenon we dub criteria drift: users need criteria to grade outputs, but grading outputs helps users define criteria. What is more, some criteria appears dependent on the specific LLM outputs observed (rather than independent criteria that can be defined a priori), raising serious questions for approaches that assume the independence of evaluation from observation of model outputs. We present our interface and implementation details, a comparison of our algorithm with a baseline approach, and implications for the design of future LLM evaluation assistants.

We consider the task of mapping pseudocode to long programs that are functionally correct. Given test cases as a mechanism to validate programs, we search over the space of possible translations of the pseudocode to find a program that passes the validation. However, without proper credit assignment to localize the sources of program failures, it is difficult to guide search toward more promising programs. We propose to perform credit assignment based on signals from compilation errors, which constitute 88.7% of program failures. Concretely, we treat the translation of each pseudocode line as a discrete portion of the program, and whenever a synthesized program fails to compile, an error localization method tries to identify the portion of the program responsible for the failure. We then focus search over alternative translations of the pseudocode for those portions. For evaluation, we collected the SPoC dataset (Search-based Pseudocode to Code) containing 18,356 programs with human-authored pseudocode and test cases. Under a budget of 100 program compilations, performing search improves the synthesis success rate over using the top-one translation of the pseudocode from 25.6% to 44.7%.

Tool selection is a key component of LLM agents. A popular approach follows a two-step process - retrieval and selection - to pick the most appropriate tool from a tool library for a given task. In this work, we introduce ToolHijacker, a novel prompt injection attack targeting tool selection in no-box scenarios. ToolHijacker injects a malicious tool document into the tool library to manipulate the LLM agent's tool selection process, compelling it to consistently choose the attacker's malicious tool for an attacker-chosen target task. Specifically, we formulate the crafting of such tool documents as an optimization problem and propose a two-phase optimization strategy to solve it. Our extensive experimental evaluation shows that ToolHijacker is highly effective, significantly outperforming existing manual-based and automated prompt injection attacks when applied to tool selection. Moreover, we explore various defenses, including prevention-based defenses (StruQ and SecAlign) and detection-based defenses (known-answer detection, DataSentinel, perplexity detection, and perplexity windowed detection). Our experimental results indicate that these defenses are insufficient, highlighting the urgent need for developing new defense strategies.

Recent developments in large language models (LLMs) have been impressive. However, these models sometimes show inconsistencies and problematic behavior, such as hallucinating facts, generating flawed code, or creating offensive and toxic content. Unlike these models, humans typically utilize external tools to cross-check and refine their initial content, like using a search engine for fact-checking, or a code interpreter for debugging. Inspired by this observation, we introduce a framework called CRITIC that allows LLMs, which are essentially "black boxes" to validate and progressively amend their own outputs in a manner similar to human interaction with tools. More specifically, starting with an initial output, CRITIC interacts with appropriate tools to evaluate certain aspects of the text, and then revises the output based on the feedback obtained during this validation process. Comprehensive evaluations involving free-form question answering, mathematical program synthesis, and toxicity reduction demonstrate that CRITIC consistently enhances the performance of LLMs. Meanwhile, our research highlights the crucial importance of external feedback in promoting the ongoing self-improvement of LLMs.

While large language models have made significant strides in code generation, the pass rate of the generated code is bottlenecked on subtle errors, often requiring human intervention to pass tests, especially for complex problems. Existing LLM-based debugging systems treat generated programs as monolithic units, failing to address bugs at multiple levels of granularity, from low-level syntax errors to high-level algorithmic flaws. In this paper, we introduce Multi-Granularity Debugger (MGDebugger), a hierarchical code debugger by isolating, identifying, and resolving bugs at various levels of granularity. MGDebugger decomposes problematic code into a hierarchical tree structure of subfunctions, with each level representing a particular granularity of error. During debugging, it analyzes each subfunction and iteratively resolves bugs in a bottom-up manner. To effectively test each subfunction, we propose an LLM-simulated Python executor, which traces code execution and tracks important variable states to pinpoint errors accurately. Extensive experiments demonstrate that MGDebugger outperforms existing debugging systems, achieving an 18.9% improvement in accuracy over seed generations in HumanEval and a 97.6% repair success rate in HumanEvalFix. Furthermore, MGDebugger effectively fixes bugs across different categories and difficulty levels, demonstrating its robustness and effectiveness.

Large Language Models (LLMs) are evolving beyond their classical role of providing information within dialogue systems to actively engaging with tools and performing actions on real-world applications and services. Today, humans verify the correctness and appropriateness of the LLM-generated outputs (e.g., code, functions, or actions) before putting them into real-world execution. This poses significant challenges as code comprehension is well known to be notoriously difficult. In this paper, we study how humans can efficiently collaborate with, delegate to, and supervise autonomous LLMs in the future. We argue that in many cases, "post-facto validation" - verifying the correctness of a proposed action after seeing the output - is much easier than the aforementioned "pre-facto validation" setting. The core concept behind enabling a post-facto validation system is the integration of an intuitive undo feature, and establishing a damage confinement for the LLM-generated actions as effective strategies to mitigate the associated risks. Using this, a human can now either revert the effect of an LLM-generated output or be confident that the potential risk is bounded. We believe this is critical to unlock the potential for LLM agents to interact with applications and services with limited (post-facto) human involvement. We describe the design and implementation of our open-source runtime for executing LLM actions, Gorilla Execution Engine (GoEX), and present open research questions towards realizing the goal of LLMs and applications interacting with each other with minimal human supervision. We release GoEX at https://github.com/ShishirPatil/gorilla/.

AI agents increasingly act through external tools: they query databases, execute shell commands, read and write files, and send network requests. Yet in most current agent stacks, model-generated tool calls are handed to the execution layer with no framework-agnostic control point in between. Post-execution observability can record these actions, but it cannot stop them before side effects occur. We present AEGIS, a pre-execution firewall and audit layer for AI agents. AEGIS interposes on the tool-execution path and applies a three-stage pipeline: (i) deep string extraction from tool arguments, (ii) content-first risk scanning, and (iii) composable policy validation. High-risk calls can be held for human approval, and all decisions are recorded in a tamper-evident audit trail based on Ed25519 signatures and SHA-256 hash chaining. In the current implementation, AEGIS supports 14 agent frameworks across Python, JavaScript, and Go with lightweight integration. On a curated suite of 48 attackinstances, AEGIS blocks all attacks in the suite before execution; on 500 benign tool calls, it yields a 1.2% false positive rate; and across 1,000 consecutive interceptions, it adds 8.3 ms median latency. The live demo will show end-to-end interception of benign, malicious, and human-escalated tool calls, allowing attendees to observe real-time blocking, approval workflows, and audit-trail generation. These results suggest that pre-execution mediation for AI agents can be practical, low-overhead, and directly deployable.

In recent years, large language models (LLMs) have made significant progress in code intelligence, yet systematically evaluating their code understanding and reasoning abilities remains challenging. Mainstream benchmarks such as HumanEval and MBPP primarily assess functional correctness, while reasoning benchmarks like CRUXEVAL are limited to single-function, low-complexity scenarios. As a result, advanced models achieve nearly saturated scores, limiting their discriminative power. To address this, we present STEPWISE-CODEX-Bench (SX-Bench), a novel benchmark designed for complex multi-function understanding and fine-grained execution reasoning. SX-Bench features tasks involving collaboration among multiple sub-functions (e.g., chained calls, nested loops), shifting evaluation towards overall control and data flow modeling. It defines "computation steps" as the minimal execution unit and requires models to predict the total number of steps in reasoning tasks, thereby assessing a model's in-depth understanding of dynamic execution beyond simple I/O matching. Evaluation on over 20 mainstream models (including 14 reasoning-enhanced models) demonstrates that SX-Bench is highly discriminative: even the state-of-the-art OpenAI-O3 achieves only 78.37 percent accuracy on Hard-Reasoning tasks, much lower than its saturated scores on previous benchmarks, thereby revealing bottlenecks in complex and fine-grained reasoning. We also release an automated pipeline combining program synthesis, symbolic execution, and LLM-aided validation for efficient benchmark generation and quality assurance. SX-Bench advances code evaluation from "single-function verification" to "multi-function dynamic reasoning," providing a key tool for the in-depth assessment of advanced code intelligence models.

Large language models trained on code have shown great potential to increase productivity of software developers. Several execution-based benchmarks have been proposed to evaluate functional correctness of model-generated code on simple programming problems. Nevertheless, it is expensive to perform the same evaluation on complex real-world projects considering the execution cost. On the contrary, static analysis tools such as linters, which can detect errors without running the program, haven't been well explored for evaluating code generation models. In this work, we propose a static evaluation framework to quantify static errors in Python code completions, by leveraging Abstract Syntax Trees. Compared with execution-based evaluation, our method is not only more efficient, but also applicable to code in the wild. For experiments, we collect code context from open source repos to generate one million function bodies using public models. Our static analysis reveals that Undefined Name and Unused Variable are the most common errors among others made by language models. Through extensive studies, we also show the impact of sampling temperature, model size, and context on static errors in code completions.

We introduce {rm C{small LEVER}}, a high-quality, curated benchmark of 161 problems for end-to-end verified code generation in Lean. Each problem consists of (1) the task of generating a specification that matches a held-out ground-truth specification, and (2) the task of generating a Lean implementation that provably satisfies this specification. Unlike prior benchmarks, {rm C{small LEVER}} avoids test-case supervision, LLM-generated annotations, and specifications that leak implementation logic or allow vacuous solutions. All outputs are verified post-hoc using Lean's type checker to ensure machine-checkable correctness. We use {rm C{small LEVER}} to evaluate several few-shot and agentic approaches based on state-of-the-art language models. These methods all struggle to achieve full verification, establishing it as a challenging frontier benchmark for program synthesis and formal reasoning. Our benchmark can be found on GitHub(https://github.com/trishullab/clever) as well as HuggingFace(https://huggingface.co/datasets/amitayusht/clever). All our evaluation code is also available online(https://github.com/trishullab/clever-prover).

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.

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 .

We introduce QualityFlow, a dynamic agentic workflow for program synthesis. Given the English description of a programming problem and a set of unit tests, the model's goal is to synthesize the correct program that solves the problem and passes the tests. QualityFlow includes large language model (LLM) agents resembling a software development team, including code generation, testing, and self-debugging. We propose the LLM Quality Checker, which explicitly "imagines" whether the synthesized programs' execution would conform to the unit tests. The Quality Checks dynamically control the workflow, including actions to submit the final answer, clarify the problem statement, and revert previous workflow steps. Our experiments show that the Quality Checker can precisely accept any correct program, mitigate faulty synthesized tests, and prevent potential workflow deviation. QualityFlow establishes the state-of-the-art results on four program synthesis benchmarks: MBPP, HumanEval, and stricter evaluations from MBPP-EvalPlus and HumanEval-EvalPlus.

Using large language models (LLMs) to generate source code from natural language prompts is a popular and promising idea with a wide range of applications. One of its limitations is that the generated code can be faulty at times, often in a subtle way, despite being presented to the user as correct. In this paper, we explore ways in which formal methods can assist with increasing the quality of code generated by an LLM. Instead of emitting code in a target language directly, we propose that the user guides the LLM to first generate an opaque intermediate representation, in the verification-aware language Dafny, that can be automatically validated for correctness against agreed on specifications. The correct Dafny program is then compiled to the target language and returned to the user. All user-system interactions throughout the procedure occur via natural language; Dafny code is never exposed. We describe our current prototype and report on its performance on the HumanEval Python code generation benchmarks.

Large Language Models (LLMs) are increasingly integrated into software development workflows, yet their behavior in structured, specification-driven processes remains poorly understood. This paper presents an empirical study design using CURRANTE, a Visual Studio Code extension that enables a human-in-the-loop workflow for LLM-assisted code generation. The tool guides developers through three sequential stages--Specification, Tests, and Function--allowing them to define requirements, generate and refine test suites, and produce functions that satisfy those tests. Participants will solve medium-difficulty problems from the LiveCodeBench dataset, while the tool records fine-grained interaction logs, effectiveness metrics (e.g., pass rate, all-pass completion), efficiency indicators (e.g., time-to-pass), and iteration behaviors. The study aims to analyze how human intervention in specification and test refinement influences the quality and dynamics of LLM-generated code. The results will provide empirical insights into the design of next-generation development environments that align human reasoning with model-driven code generation.

In real-world Tool-Integrated Reasoning (TIR) scenarios, where LLMs interleave reasoning with external tool calls, a major source of inefficiency is that the toolcalls create pauses between LLM requests and cause KV-Cache eviction, forcing recomputation. Also, the long, unfiltered response returned by external tools inflates the KV-Cache, so each decode step spends more time loading the growing cache and thus becomes steadily slower as context length increases. However, existing efficiency metrics like token counts and toolcall counts fail to capture the real model inference latency. To address this, we introduce PTE (Prefill Token Equivalents), a hardware-aware TIR-efficiency metric that unifies internal reasoning and external tool-use costs while explicitly accounting for non-reusable KV-Cache and long-tool-response scenarios. Validation in a high-concurrency industrial setting indicates that PTE aligns significantly better with wall-clock latency than standard token counts, while maintaining consistent efficiency rankings across diverse hardware profiles. We conduct extensive experiments across five TIR benchmarks, quantify their PTE costs, and identify four inefficiency patterns that appear in TIR. We also discover that trajectories with higher PTE costs tend to have lower reasoning correctness, indicating that simply using more tools does not improve the quality of the answer.

Political scientists are rapidly adopting large language models (LLMs) for text annotation, yet the sensitivity of annotation results to implementation choices remains poorly understood. Most evaluations test a single model or configuration; how model choice, model size, learning approach, and prompt style interact, and whether popular "best practices" survive controlled comparison, are largely unexplored. We present a controlled evaluation of these pipeline choices, testing six open-weight models across four political science annotation tasks under identical quantisation, hardware, and prompt-template conditions. Our central finding is methodological: interaction effects dominate main effects, so seemingly reasonable pipeline choices can become consequential researcher degrees of freedom. No single model, prompt style, or learning approach is uniformly superior, and the best-performing model varies across tasks. Two corollaries follow. First, model size is an unreliable guide both to cost and to performance: cross-family efficiency differences are so large that some larger models are less resource-intensive than much smaller alternatives, while within model families mid-range variants often match or exceed larger counterparts. Second, widely recommended prompt engineering techniques yield inconsistent and sometimes negative effects on annotation performance. We use these benchmark results to develop a validation-first framework - with a principled ordering of pipeline decisions, guidance on prompt freezing and held-out evaluation, reporting standards, and open-source tools - to help researchers navigate this decision space transparently.

Despite recent advances in AI, the development of systems capable of executing complex, multi-step reasoning tasks involving multiple tools remains a significant challenge. Current benchmarks fall short in capturing the real-world complexity of tool-use reasoning, where verifying the correctness of not only the final answer but also the intermediate steps is important for evaluation, development, and identifying failures during inference time. To bridge this gap, we introduce ToolComp, a comprehensive benchmark designed to evaluate multi-step tool-use reasoning. ToolComp is developed through a collaboration between models and human annotators, featuring human-edited/verified prompts, final answers, and process supervision labels, allowing for the evaluation of both final outcomes and intermediate reasoning. Evaluation across six different model families demonstrates the challenging nature of our dataset, with the majority of models achieving less than 50% accuracy. Additionally, we generate synthetic training data to compare the performance of outcome-supervised reward models (ORMs) with process-supervised reward models (PRMs) to assess their ability to improve complex tool-use reasoning as evaluated by ToolComp. Our results show that PRMs generalize significantly better than ORMs, achieving a 19% and 11% improvement in rank@1 accuracy for ranking base and fine-tuned model trajectories, respectively. These findings highlight the critical role of process supervision in both the evaluation and training of AI models, paving the way for more robust and capable systems in complex, multi-step tool-use tasks.

Equipped with the capability to call functions, modern large language models (LLMs) can leverage external tools for addressing a range of tasks unattainable through language skills alone. However, the effective execution of these tools relies heavily not just on the advanced capabilities of LLMs but also on precise user instructions, which often cannot be ensured in the real world. To evaluate the performance of LLMs tool-use under imperfect instructions, we meticulously examine the real-world instructions queried from users, analyze the error patterns, and build a challenging tool-use benchmark called Noisy ToolBench (NoisyToolBench). We find that due to the next-token prediction training objective, LLMs tend to arbitrarily generate the missed argument, which may lead to hallucinations and risks. To address this issue, we propose a novel framework, Ask-when-Needed (AwN), which prompts LLMs to ask questions to users whenever they encounter obstacles due to unclear instructions. Moreover, to reduce the manual labor involved in user-LLM interaction and assess LLMs performance in tool utilization from both accuracy and efficiency perspectives, we design an automated evaluation tool named ToolEvaluator. Our experiments demonstrate that the AwN significantly outperforms existing frameworks for tool learning in the NoisyToolBench. We will release all related code and datasets to support future research.

Writing competitive programming problems is exacting. Authors must: set constraints, input distributions, and edge cases that rule out shortcuts; target specific algorithms (e.g., max-flow, dynamic programming, data structures); and calibrate complexity beyond the reach of most competitors. We argue that this makes for an ideal test of general large language model capabilities and study whether they can do this reliably. We introduce AutoCode, which uses multiple rounds of validation to yield competition-grade problem statements and test cases. On held-out problems, AutoCode test suites approach 99% consistency with official judgments, a significant improvement over current state-of-the-art methods like HardTests, which achieve less than 81%. Furthermore, starting with a random seed problem, AutoCode can create novel variants with reference and brute-force solutions. By cross-verifying these generated solutions against test cases, we can further filter out malformed problems. Our system ensures high correctness, as verified by human experts. AutoCode successfully produces novel problems judged by Grandmaster-level (top 0.3%) competitive programmers to be of contest quality.

Reward-guided search methods have demonstrated strong potential in enhancing tool-using agents by effectively guiding sampling and exploration over complex action spaces. As a core design, those search methods utilize process reward models (PRMs) to provide step-level rewards, enabling more fine-grained monitoring. However, there is a lack of systematic and reliable evaluation benchmarks for PRMs in tool-using settings. In this paper, we introduce ToolPRMBench, a large-scale benchmark specifically designed to evaluate PRMs for tool-using agents. ToolPRMBench is built on top of several representative tool-using benchmarks and converts agent trajectories into step-level test cases. Each case contains the interaction history, a correct action, a plausible but incorrect alternative, and relevant tool metadata. We respectively utilize offline sampling to isolate local single-step errors and online sampling to capture realistic multi-step failures from full agent rollouts. A multi-LLM verification pipeline is proposed to reduce label noise and ensure data quality. We conduct extensive experiments across large language models, general PRMs, and tool-specialized PRMs on ToolPRMBench. The results reveal clear differences in PRM effectiveness and highlight the potential of specialized PRMs for tool-using. Code and data will be released at https://github.com/David-Li0406/ToolPRMBench.

Recent code large language models (LLMs) have shown promising performance in generating standalone functions but face limitations in repository-level code generation due to their lack of awareness of repository-level dependencies (e.g., user-defined attributes), resulting in dependency errors such as undefined-variable and no-member errors. In this work, we introduce ToolGen, an approach that integrates autocompletion tools into the code LLM generation process to address these dependencies. ToolGen comprises two main phases: Trigger Insertion and Model Fine-tuning (Offline), and Tool-integrated Code Generation (Online). During the offline phase, ToolGen augments functions within a given code corpus with a special mark token, indicating positions to trigger autocompletion tools. These augmented functions, along with their corresponding docstrings, are then used to fine-tune a selected code LLM. In the online phase, ToolGen iteratively generates functions by predicting tokens step-by-step using the fine-tuned LLM. Whenever a mark token is encountered, ToolGen invokes the autocompletion tool to suggest code completions and selects the most appropriate one. We conduct comprehensive experiments to evaluate ToolGen's effectiveness in repository-level code generation. To facilitate this evaluation, we create a benchmark comprising 680 real-world code repositories and introduce two new repository-level metrics: Dependency Coverage and Static Validity Rate. The results demonstrate that ToolGen significantly improves Dependency Coverage by 15.2% to 45.8% and Static Validity Rate by 10.9% to 42.2% across three distinct code LLMs, while maintaining competitive performance in widely-recognized similarity metrics. Furthermore, our generalizability evaluation confirms ToolGen's consistent performance when applied to diverse code LLMs, including various model architectures and scales.

Large language models (LLMs) have demonstrated strong capabilities in language understanding and reasoning, yet they remain limited when tackling real-world tasks that require up-to-date knowledge, precise operations, or specialized tool use. To address this, we propose Tool-R1, a reinforcement learning framework that enables LLMs to perform general, compositional, and multi-step tool use by generating executable Python code. Tool-R1 supports integration of user-defined tools and standard libraries, with variable sharing across steps to construct coherent workflows. An outcome-based reward function, combining LLM-based answer judgment and code execution success, guides policy optimization. To improve training efficiency, we maintain a dynamic sample queue to cache and reuse high-quality trajectories, reducing the overhead of costly online sampling. Experiments on the GAIA benchmark show that Tool-R1 substantially improves both accuracy and robustness, achieving about 10\% gain over strong baselines, with larger improvements on complex multi-step tasks. These results highlight the potential of Tool-R1 for enabling reliable and efficient tool-augmented reasoning in real-world applications. Our code will be available at https://github.com/YBYBZhang/Tool-R1.

As large language models (LLMs) increasingly integrate native code interpreters, they enable powerful real-time execution capabilities, substantially expanding their utility. However, such integrations introduce potential system-level cybersecurity threats, fundamentally different from prompt-based vulnerabilities. To systematically evaluate these interpreter-specific risks, we propose CIRCLE (Code-Interpreter Resilience Check for LLM Exploits), a simple benchmark comprising 1,260 prompts targeting CPU, memory, and disk resource exhaustion. Each risk category includes explicitly malicious ("direct") and plausibly benign ("indirect") prompt variants. Our automated evaluation framework assesses not only whether LLMs refuse or generates risky code, but also executes the generated code within the interpreter environment to evaluate code correctness, simplifications made by the LLM to make the code safe, or execution timeouts. Evaluating 7 commercially available models from OpenAI and Google, we uncover significant and inconsistent vulnerabilities. For instance, evaluations show substantial disparities even within providers - OpenAI's o4-mini correctly refuses risky requests at 7.1%, notably higher rates compared to GPT-4.1 at 0.5%. Results particularly underscore that indirect, socially-engineered prompts substantially weaken model defenses. This highlights an urgent need for interpreter-specific cybersecurity benchmarks, dedicated mitigation tools (e.g., guardrails), and clear industry standards to guide safe and responsible deployment of LLM interpreter integrations. The benchmark dataset and evaluation code are publicly released to foster further research.

Tool-calling has changed Large Language Model (LLM) applications by integrating external tools, significantly enhancing their functionality across diverse tasks. However, this integration also introduces new security vulnerabilities, particularly in the tool scheduling mechanisms of LLM, which have not been extensively studied. To fill this gap, we present ToolCommander, a novel framework designed to exploit vulnerabilities in LLM tool-calling systems through adversarial tool injection. Our framework employs a well-designed two-stage attack strategy. Firstly, it injects malicious tools to collect user queries, then dynamically updates the injected tools based on the stolen information to enhance subsequent attacks. These stages enable ToolCommander to execute privacy theft, launch denial-of-service attacks, and even manipulate business competition by triggering unscheduled tool-calling. Notably, the ASR reaches 91.67% for privacy theft and hits 100% for denial-of-service and unscheduled tool calling in certain cases. Our work demonstrates that these vulnerabilities can lead to severe consequences beyond simple misuse of tool-calling systems, underscoring the urgent need for robust defensive strategies to secure LLM Tool-calling systems.

Answer verification methods are widely employed in language model training pipelines spanning data curation, evaluation, and reinforcement learning with verifiable rewards (RLVR). While prior work focus on developing unified verifiers applicable across multiple reasoning scenarios, significant challenges remain in computation-oriented scientific domains, such as algebraic equivalence checking and physical constant substitution. In this paper, we introduce \model, a tool-augmented verifier that leverages external executors to perform precise computations and symbolic simplifications. \model enables robust verification that goes beyond simple semantic matching. We propose a novel two-stage pipeline, which begin with cold-start fine-tuning and followed by multi-turn reinforcement learning with tool integration. Extensive experiments conducted on STEM subjects, general QA, and long-form reasoning tasks demonstrates strong generalization of \model. The results shows that the \model achieves state-of-the-art performance on VerifyBench-Hard and SCI-Bench. And we also employ our \model in RLVR as a reward model, the results show that it consistently outperforms both rubric-based and model-based verifiers on AIME'24 and AIME'25, demonstrating strong potential to enhance reasoning capabilities of LLM. Our model is released at https://huggingface.co/Nanbeige/CoSineVerifier-Tool-4B{https://huggingface.co/Nanbeige/CoSineVerifier-Tool-4B}.

MCP standardizes how LLMs interact with external systems, forming the foundation for general agents. However, existing MCP benchmarks remain narrow in scope: they focus on read-heavy tasks or tasks with limited interaction depth, and fail to capture the complexity and realism of real-world workflows. To address this gap, we propose MCPMark, a benchmark designed to evaluate MCP use in a more realistic and comprehensive manner. It consists of 127 high-quality tasks collaboratively created by domain experts and AI agents. Each task begins with a curated initial state and includes a programmatic script for automatic verification. These tasks demand richer and more diverse interactions with the environment, involving a broad range of create, read, update, and delete (CRUD) operations. We conduct a comprehensive evaluation of cutting-edge LLMs using a minimal agent framework that operates in a tool-calling loop. Empirical results show that the best-performing model, gpt-5-medium, reaches only 52.56\% pass@1 and 33.86\% pass^4, while other widely regarded strong models, including claude-sonnet-4 and o3, fall below 30\% pass@1 and 15\% pass^4. On average, LLMs require 16.2 execution turns and 17.4 tool calls per task, significantly surpassing those in previous MCP benchmarks and highlighting the stress-testing nature of MCPMark.

While Large Language Models (LLMs) have evolved into tool-using agents, they remain brittle in long-horizon interactions. Unlike mathematical reasoning where errors are often rectifiable via backtracking, tool-use failures frequently induce irreversible side effects, making accurate step-level verification critical. However, existing process-level benchmarks are predominantly confined to closed-world mathematical domains, failing to capture the dynamic and open-ended nature of tool execution. To bridge this gap, we introduce AgentProcessBench, the first benchmark dedicated to evaluating step-level effectiveness in realistic, tool-augmented trajectories. The benchmark comprises 1,000 diverse trajectories and 8,509 human-labeled step annotations with 89.1% inter-annotator agreement. It features a ternary labeling scheme to capture exploration and an error propagation rule to reduce labeling ambiguity. Extensive experiments reveal key insights: (1) weaker policy models exhibit inflated ratios of correct steps due to early termination; (2) distinguishing neutral and erroneous actions remains a significant challenge for current models; and (3) process-derived signals provide complementary value to outcome supervision, significantly enhancing test-time scaling. We hope AgentProcessBench can foster future research in reward models and pave the way toward general agents. The code and data are available at https://github.com/RUCBM/AgentProcessBench.

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.

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.

While Large Language Models (LLMs) have demonstrated enhanced capabilities in function-calling, these advancements primarily rely on accessing the functions' responses. This methodology is practical for simpler APIs but faces scalability issues with irreversible APIs that significantly impact the system, such as a database deletion API. Similarly, processes requiring extensive time for each API call and those necessitating forward planning, like automated action pipelines, present complex challenges. Furthermore, scenarios often arise where a generalized approach is needed because algorithms lack direct access to the specific implementations of these functions or secrets to use them. Traditional tool planning methods are inadequate in these cases, compelling the need to operate within black-box environments. Unlike their performance in tool manipulation, LLMs excel in black-box tasks, such as program synthesis. Therefore, we harness the program synthesis capabilities of LLMs to strategize tool usage in black-box settings, ensuring solutions are verified prior to implementation. We introduce TOPGUN, an ingeniously crafted approach leveraging program synthesis for black box tool planning. Accompanied by SwissNYF, a comprehensive suite that integrates black-box algorithms for planning and verification tasks, addressing the aforementioned challenges and enhancing the versatility and effectiveness of LLMs in complex API interactions. The public code for SwissNYF is available at https://github.com/iclr-dummy-user/SwissNYF.

Tool-calling agents are increasingly deployed in real-world customer-facing workflows. Yet most studies on tool-calling agents focus on idealized settings with general, fixed, and well-specified tasks. In real-world applications, user requests are often (1) ambiguous, (2) changing over time, or (3) infeasible due to policy constraints, and training and evaluation data that cover these diverse, complex interaction patterns remain under-represented. To bridge the gap, we present Trajectory2Task, a verifiable data generation pipeline for studying tool use at scale under three realistic user scenarios: ambiguous intent, changing intent, and infeasible intents. The pipeline first conducts multi-turn exploration to produce valid tool-call trajectories. It then converts these trajectories into user-facing tasks with controlled intent adaptations. This process yields verifiable task that support closed-loop evaluation and training. We benchmark seven state-of-the-art LLMs on the generated complex user scenario tasks and observe frequent failures. Finally, using successful trajectories obtained from task rollouts, we fine-tune lightweight LLMs and find consistent improvements across all three conditions, along with better generalization to unseen tool-use domains, indicating stronger general tool-calling ability.

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

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.

The automatic generation of programs has long been a fundamental challenge in computer science. Recent benchmarks have shown that large language models (LLMs) can effectively generate code at the function level, make code edits, and solve algorithmic coding tasks. However, to achieve full automation, LLMs should be able to generate production-quality, self-contained application modules. To evaluate the capabilities of LLMs in solving this challenge, we introduce BaxBench, a novel evaluation benchmark consisting of 392 tasks for the generation of backend applications. We focus on backends for three critical reasons: (i) they are practically relevant, building the core components of most modern web and cloud software, (ii) they are difficult to get right, requiring multiple functions and files to achieve the desired functionality, and (iii) they are security-critical, as they are exposed to untrusted third-parties, making secure solutions that prevent deployment-time attacks an imperative. BaxBench validates the functionality of the generated applications with comprehensive test cases, and assesses their security exposure by executing end-to-end exploits. Our experiments reveal key limitations of current LLMs in both functionality and security: (i) even the best model, OpenAI o1, achieves a mere 60% on code correctness; (ii) on average, we could successfully execute security exploits on more than half of the correct programs generated by each LLM; and (iii) in less popular backend frameworks, models further struggle to generate correct and secure applications. Progress on BaxBench signifies important steps towards autonomous and secure software development with LLMs.

The standard paradigm for solving coding tasks via large language models (LLMs) is to generate-then-rank programs, where the latter step uses a verifier in the ranking process. The growing consensus is that a comprehensive verifier (e.g., a full test suite) should be prioritized over an outcome reward model (ORM) whenever possible, with little consideration given to the trade-offs involved. We aim to challenge this assumption by systematically exploring the tradeoff between speed and accuracy. We find that ORMs play a crucial role in scaling verification through trading accuracy for speed, even when a comprehensive verifier is available. Their value becomes especially apparent when used in a generate-prune-then-rank approach, where a faster but less accurate verifier removes incorrect solutions prior to ranking -- leading to a system that is 11.65x faster while only being 8.33% less accurate than the full test suite. We analyze the generate-prune-then-rank approach and show that it works by filtering out incorrect but highly ranked solutions. These findings enable the design of scalable and accurate program ranking systems.

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.

We introduce TestCase-Eval, a new benchmark for systematic evaluation of LLMs in test-case generation. TestCase-Eval includes 500 algorithm problems and 100,000 human-crafted solutions from the Codeforces platform. It focuses on two pivotal tasks: (1) Fault Coverage, which measures how well LLM-generated test sets probe diverse input scenarios and cover a wide range of potential failure modes. (2) Fault Exposure, which evaluates whether LLMs can craft a tailored test input that reveals a specific incorrect code implementation. We provide a comprehensive assessment of 19 state-of-the-art open-source and proprietary LLMs on TestCase-Eval, offering insights into their strengths and limitations in generating effective test cases for algorithm problems.

Large Language Models (LLMs) are being increasingly used in software engineering tasks, with an increased focus on bug report resolution over the past year. However, most proposed systems fail to properly handle uncertain or incorrect inputs and outputs. Existing LLM-based tools and coding agents respond to every issue and generate a patch for every case, even when the input is vague or their own output is incorrect. There are no mechanisms in place to abstain when confidence is low. This leads to unreliable behaviour, such as hallucinated code changes or responses based on vague issue reports. We introduce BouncerBench, a benchmark that evaluates whether LLM-based software agents can refuse to act when inputs are ill-defined or refuse to respond when their own outputs are likely to be incorrect. Unlike prior benchmarks that implicitly incentivize models to generate responses even when uncertain, BouncerBench aims to improve precision by targeting two overlooked failure points: (1) vague or underspecified issue descriptions in tickets and (2) logically or functionally incorrect code patches created by the system. It measures whether proposed systems can distinguish actionable issues from vague tickets and valid patches from untrustworthy ones. We also implement a basic input and output bouncer, evaluating how well current LLMs can abstain when needed. Our results show that most models fail to abstain from underspecified inputs or incorrect outputs. Hence, we conclude that there is significant room for improvement before LLMs can be trusted to make correct decisions and recommendations in real-world software engineering workflows. BouncerBench provides a first step toward evaluating and building more cautious, trustworthy code agents. The replication package, dataset, and leaderboard can be found at bouncerbench.com

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.

The emergence of Large Language Models (LLMs) has catalyzed a paradigm shift in programming, giving rise to "vibe coding", where users can build complete projects and even control computers using natural language instructions. This paradigm has driven automated webpage development, but it introduces a new requirement about how to automatically verify whether the web functionalities are reliably implemented. Existing works struggle to adapt, relying on static visual similarity or predefined checklists that constrain their utility in open-ended environments. Furthermore, they overlook a vital aspect of software quality, namely latent logical constraints. To address these gaps, we introduce WebTestBench, a benchmark for evaluating end-to-end automated web testing. WebTestBench encompasses comprehensive dimensions across diverse web application categories. We decompose the testing process into two cascaded sub-tasks, checklist generation and defect detection, and propose WebTester, a baseline framework for this task. Evaluating popular LLMs with WebTester reveals severe challenges, including insufficient test completeness, detection bottlenecks, and long-horizon interaction unreliability. These findings expose a substantial gap between current computer-use agent capabilities and industrial-grade deployment demands. We hope that WebTestBench provides valuable insights and guidance for advancing end-to-end automated web testing. Our dataset and code are available at https://github.com/friedrichor/WebTestBench.

Large language models (LLMs) have demonstrated remarkable code generation capabilities, but the correctness of the generated code cannot be inherently trusted. This paper explores the feasibility of using formal software verification, specifically the SPARK framework for Ada, to ensure the reliability of LLM-generated code. We present Marmaragan, a tool that leverages an LLM in order to generate SPARK annotations for existing programs, enabling formal verification of the code. The tool is benchmarked on a curated set of SPARK programs, with annotations selectively removed to test specific capabilities. The performance of Marmaragan with GPT-4o on the benchmark is promising, with correct annotations having been generated for 50.7% of the benchmark cases. The results establish a foundation for future work on combining the power of LLMs with the reliability of formal software verification.

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.

Tool-augmented language models have demonstrated strong capabilities, but their reliance on live API access creates scalability and reliability challenges during training and deployment. We propose MTR, a simulation-first training framework for tool-augmented reasoning. Instead of relying on live APIs, MTR learns from complete ReAct traces with schema-validated, simulated observations. Our approach operates through a multi-agent architecture where a ToolMaker generates task-specific, OpenAI-compatible tool interfaces, an AutoAgent produces structured think-act-observe sequences, and a ToolActor simulates realistic responses. Training proceeds in two stages: Stage-1 Supervised Fine-Tuning (SFT) teaches 'trace grammar' from complete reasoning sequences; Stage-2 Group Relative Policy Optimization (GRPO) optimizes strategy with a composite trace reward that balances answer correctness and internal consistency. Across four multi-hop QA benchmarks (HotpotQA, MuSiQue, 2WikiMultiHopQA, Bamboogle), MTR attains competitive Exact Match (EM) scores to live-API systems and excels on reasoning-intensive tasks, suggesting that effective tool reasoning can be learned from structured traces without live interactions.

Large Language Models (LLMs) have shown great success in code generation. LLMs take as the input a prompt and output the code. A key question is how to make prompts (i.e., Prompting Techniques). Existing prompting techniques are designed for natural language generation and have low accuracy in code generation. In this paper, we propose a new prompting technique named AceCoder. Our motivation is that code generation meets two unique challenges (i.e., requirement understanding and code implementation). AceCoder contains two novel mechanisms (i.e., guided code generation and example retrieval) to solve these challenges. (1) Guided code generation asks LLMs first to analyze requirements and output an intermediate preliminary (e.g., test cases). The preliminary is used to clarify requirements and tell LLMs "what to write". (2) Example retrieval selects similar programs as examples in prompts, which provide lots of relevant content (e.g., algorithms, APIs) and teach LLMs "how to write". We apply AceCoder to three LLMs (e.g., Codex) and evaluate it on three public benchmarks using the Pass@k. Results show that AceCoder can significantly improve the performance of LLMs on code generation. (1) In terms of Pass@1, AceCoder outperforms the state-of-the-art baseline by up to 56.4% in MBPP, 70.7% in MBJP, and 88.4% in MBJSP. (2) AceCoder is effective in LLMs with different sizes (i.e., 6B to 13B) and different languages (i.e., Python, Java, and JavaScript). (3) Human evaluation shows human developers prefer programs from AceCoder.

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/

We present RepoST, a scalable method to construct environments that provide execution feedback for repository-level code generation for both training and evaluation. Unlike existing works that aim to build entire repositories for execution, which is challenging for both human and LLMs, we provide execution feedback with sandbox testing, which isolates a given target function and its dependencies to a separate script for testing. Sandbox testing reduces the complexity of external dependencies and enables constructing environments at a large scale. We use our method to construct RepoST-Train, a large-scale train set with 7,415 functions from 832 repositories. Training with the execution feedback provided by RepoST-Train leads to a performance gain of 5.5% Pass@1 on HumanEval and 3.5% Pass@1 on RepoEval. We also build an evaluation dataset, RepoST-Eval, and benchmark 12 code generation models.

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.

Modern machine learning systems rely on complex data engineering workflows to extract, transform, and load (ELT) data into production pipelines. However, constructing these pipelines remains time-consuming and requires substantial expertise in data infrastructure and orchestration frameworks. Recent advances in large language model (LLM) agents offer a potential path toward automating these workflows, but existing approaches struggle with under-specified user intent, unreliable tool generation, and limited guarantees of executable outputs. We introduce kRAIG, an AI agent that translates natural language specifications into production-ready Kubeflow Pipelines (KFP). To resolve ambiguity in user intent, we propose ReQuesAct (Reason, Question, Act), an interaction framework that explicitly clarifies intent prior to pipeline synthesis. The system orchestrates end-to-end data movement from diverse sources and generates task-specific transformation components through a retrieval-augmented tool synthesis process. To ensure data quality and safety, kRAIG incorporates LLM-based validation stages that verify pipeline integrity prior to execution. Our framework achieves a 3x improvement in extraction and loading success and a 25 percent increase in transformation accuracy compared to state-of-the-art agentic baselines. These improvements demonstrate that structured agent workflows with explicit intent clarification and validation significantly enhance the reliability and executability of automated data engineering pipelines.

Translating software written in legacy languages to modern languages, such as C to Rust, has significant benefits in improving memory safety while maintaining high performance. However, manual translation is cumbersome, error-prone, and produces unidiomatic code. Large language models (LLMs) have demonstrated promise in producing idiomatic translations, but offer no correctness guarantees as they lack the ability to capture all the semantics differences between the source and target languages. To resolve this issue, we propose SACTOR, an LLM-driven C-to-Rust zero-shot translation tool using a two-step translation methodology: an "unidiomatic" step to translate C into Rust while preserving semantics, and an "idiomatic" step to refine the code to follow Rust's semantic standards. SACTOR utilizes information provided by static analysis of the source C program to address challenges such as pointer semantics and dependency resolution. To validate the correctness of the translated result from each step, we use end-to-end testing via the foreign function interface to embed our translated code segment into the original code. We evaluate the translation of 200 programs from two datasets and two case studies, comparing the performance of GPT-4o, Claude 3.5 Sonnet, Gemini 2.0 Flash, Llama 3.3 70B and DeepSeek-R1 in SACTOR. Our results demonstrate that SACTOR achieves high correctness and improved idiomaticity, with the best-performing model (DeepSeek-R1) reaching 93% and (GPT-4o, Claude 3.5, DeepSeek-R1) reaching 84% correctness (on each dataset, respectively), while producing more natural and Rust-compliant translations compared to existing methods.

The security of Large Language Model (LLM) applications is fundamentally challenged by "form-first" attacks like prompt injection and jailbreaking, where malicious instructions are embedded within user inputs. Conventional defenses, which rely on post hoc output filtering, are often brittle and fail to address the root cause: the model's inability to distinguish trusted instructions from untrusted data. This paper proposes Countermind, a multi-layered security architecture intended to shift defenses from a reactive, post hoc posture to a proactive, pre-inference, and intra-inference enforcement model. The architecture proposes a fortified perimeter designed to structurally validate and transform all inputs, and an internal governance mechanism intended to constrain the model's semantic processing pathways before an output is generated. The primary contributions of this work are conceptual designs for: (1) A Semantic Boundary Logic (SBL) with a mandatory, time-coupled Text Crypter intended to reduce the plaintext prompt injection attack surface, provided all ingestion paths are enforced. (2) A Parameter-Space Restriction (PSR) mechanism, leveraging principles from representation engineering, to dynamically control the LLM's access to internal semantic clusters, with the goal of mitigating semantic drift and dangerous emergent behaviors. (3) A Secure, Self-Regulating Core that uses an OODA loop and a learning security module to adapt its defenses based on an immutable audit log. (4) A Multimodal Input Sandbox and Context-Defense mechanisms to address threats from non-textual data and long-term semantic poisoning. This paper outlines an evaluation plan designed to quantify the proposed architecture's effectiveness in reducing the Attack Success Rate (ASR) for form-first attacks and to measure its potential latency overhead.

Optimizing LLM-based agentic workflows is challenging for scaling AI capabilities. Current methods rely on coarse, end-to-end evaluation signals and lack fine-grained signals on where to refine, often resulting in inefficient or low-impact modifications. To address these limitations, we propose JudgeFlow, an Evaluation-Judge-Optimization-Update pipeline. We incorporate reusable, configurable logic blocks into agentic workflows to capture fundamental forms of logic. On top of this abstraction, we design a dedicated Judge module that inspects execution traces particularly failed runs and assigns rank-based responsibility scores to problematic blocks. These fine-grained diagnostic signals are then leveraged by an LLM-based optimizer, which focuses modifications on the most problematic block in the workflow. Our approach improves sample efficiency, enhances interpretability through block-level diagnostics, and provides a scalable foundation for automating increasingly complex agentic workflows. We evaluate JudgeFlow on mathematical reasoning and code generation benchmarks, where JudgeFlow achieves superior performance and efficiency compared to existing methods.

Large language models (LLMs) can call tools effectively, yet they remain brittle in multi-turn execution: following a tool call error, smaller models often degenerate into repetitive invalid re-invocations, failing to interpret error feedback and self-correct. This brittleness hinders reliable real-world deployment, where the execution errors are inherently inevitable during tool interaction procedures. We identify a key limitation of current approaches: standard reinforcement learning (RL) treats errors as sparse negative rewards, providing no guidance on how to recover, while pre-collected synthetic error-correction datasets suffer from distribution mismatch with the model's on-policy error modes. To bridge this gap, we propose Fission-GRPO, a framework that converts execution errors into corrective supervision within the RL training loop. Our core mechanism fissions each failed trajectory into a new training instance by augmenting it with diagnostic feedback from a finetuned Error Simulator, then resampling recovery rollouts on-policy. This enables the model to learn from the precise errors it makes during exploration, rather than from static, pre-collected error cases. On the BFCL v4 Multi-Turn, Fission-GRPO improves the error recovery rate of Qwen3-8B by 5.7% absolute, crucially, yielding a 4% overall accuracy gain (42.75% to 46.75%) over GRPO and outperforming specialized tool-use agents.

The ACPBench dataset provides atomic reasoning tasks required for efficient planning. The dataset is aimed at distilling the complex plan generation task into separate atomic reasoning tasks in their easiest possible form, boolean or multiple-choice questions, where the model has to choose the right answer from the provided options. While the aim of ACPBench is to test the simplest form of reasoning about action and change, when tasked with planning, a model does not typically have options to choose from and thus the reasoning required for planning dictates an open-ended, generative form for these tasks. To that end, we introduce ACPBench Hard, a generative version of ACPBench, with open-ended questions which the model needs to answer. Models that perform well on these tasks could in principle be integrated into a planner or be used directly as a policy. We discuss the complexity of these tasks as well as the complexity of validating the correctness of their answers and present validation algorithms for each task. Equipped with these validators, we test the performance of a variety of models on our tasks and find that for most of these tasks the performance of even the largest models is still subpar. Our experiments show that no model outperforms another in these tasks and with a few exceptions all tested language models score below 65%, indicating that even the current frontier language models have a long way to go before they can reliably reason about planning. In fact, even the so-called reasoning models struggle with solving these reasoning tasks. ACPBench Hard collection is available at the following link: https://ibm.github.io/ACPBench

The Model Context Protocol (MCP) introduces a standard specification that defines how Foundation Model (FM)-based agents should interact with external systems by invoking tools. However, to understand a tool's purpose and features, FMs rely on natural-language tool descriptions, making these descriptions a critical component in guiding FMs to select the optimal tool for a given (sub)task and to pass the right arguments to the tool. While defects or smells in these descriptions can misguide FM-based agents, their prevalence and consequences in the MCP ecosystem remain unclear. Hence, we examine 856 tools spread across 103 MCP servers empirically, assess their description quality, and their impact on agent performance. We identify six components of tool descriptions from the literature, develop a scoring rubric utilizing these components, and then formalize tool description smells based on this rubric. By operationalizing this rubric through an FM-based scanner, we find that 97.1% of the analyzed tool descriptions contain at least one smell, with 56% failing to state their purpose clearly. While augmenting these descriptions for all components improves task success rates by a median of 5.85 percentage points and improves partial goal completion by 15.12%, it also increases the number of execution steps by 67.46% and regresses performance in 16.67% of cases. These results indicate that achieving performance gains is not straightforward; while execution cost can act as a trade-off, execution context can also impact. Furthermore, component ablations show that compact variants of different component combinations often preserve behavioral reliability while reducing unnecessary token overhead, enabling more efficient use of the FM context window and lower execution costs.

In this paper we present a novel solution that combines the capabilities of Large Language Models (LLMs) with Formal Verification strategies to verify and automatically repair software vulnerabilities. Initially, we employ Bounded Model Checking (BMC) to locate the software vulnerability and derive a counterexample. The counterexample provides evidence that the system behaves incorrectly or contains a vulnerability. The counterexample that has been detected, along with the source code, are provided to the LLM engine. Our approach involves establishing a specialized prompt language for conducting code debugging and generation to understand the vulnerability's root cause and repair the code. Finally, we use BMC to verify the corrected version of the code generated by the LLM. As a proof of concept, we create ESBMC-AI based on the Efficient SMT-based Context-Bounded Model Checker (ESBMC) and a pre-trained Transformer model, specifically gpt-3.5-turbo, to detect and fix errors in C programs. Our experimentation involved generating a dataset comprising 1000 C code samples, each consisting of 20 to 50 lines of code. Notably, our proposed method achieved an impressive success rate of up to 80% in repairing vulnerable code encompassing buffer overflow and pointer dereference failures. We assert that this automated approach can effectively incorporate into the software development lifecycle's continuous integration and deployment (CI/CD) process.

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.

Large Language Models can break through knowledge and timeliness limitations by invoking external tools within the Model Context Protocol framework to achieve automated execution of complex tasks. However, with the rapid growth of enterprise-scale MCP services, efficiently and accurately matching target functionalities among thousands of heterogeneous tools has become a core challenge restricting system practicality. Existing approaches generally rely on full-prompt injection or static semantic retrieval, facing issues including semantic disconnection between user queries and tool descriptions, context inflation in LLM input, and high inference latency. To address these challenges, this paper proposes Z-Space, a data-generation-oriented multi-agent collaborative tool invocation framework Z-Space. The Z-Space framework establishes a multi-agent collaborative architecture and tool filtering algorithm: (1) A structured semantic understanding of user queries is achieved through an intent parsing model; (2) A tool filtering module (FSWW) based on fused subspace weighted algorithm realizes fine-grained semantic alignment between intents and tools without parameter tuning; (3) An inference execution agent is constructed to support dynamic planning and fault-tolerant execution for multi-step tasks. This framework has been deployed in the Eleme platform's technical division, serving large-scale test data generation scenarios across multiple business units including Taotian, Gaode, and Hema. Production data demonstrates that the system reduces average token consumption in tool inference by 96.26\% while achieving a 92\% tool invocation accuracy rate, significantly enhancing the efficiency and reliability of intelligent test data generation systems.

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.

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, empowering them to solve practical tasks. Existing work typically empowers LLMs as tool users with a manually designed workflow, where the LLM plans a series of tools in a step-by-step manner, and sequentially executes each tool to obtain intermediate results until deriving the final answer. However, they suffer from two challenges in realistic scenarios: (1) The handcrafted control flow is often ad-hoc and constraints the LLM to local planning; (2) The LLM is instructed to use only manually demonstrated tools or well-trained Python functions, which limits its generalization to new tools. In this work, we first propose Automatic Tool Chain (ATC), a framework that enables the LLM to act as a multi-tool user, which directly utilizes a chain of tools through programming. To scale up the scope of the tools, we next propose a black-box probing method. This further empowers the LLM as a tool learner that can actively discover and document tool usages, teaching themselves to properly master new tools. For a comprehensive evaluation, we build a challenging benchmark named ToolFlow, which diverges from previous benchmarks by its long-term planning scenarios and complex toolset. Experiments on both existing datasets and ToolFlow illustrate the superiority of our framework. Analysis on different settings also validates the effectiveness and the utility of our black-box probing algorithm.

Tool-augmented Language Models (TaLMs) can invoke external tools to solve problems beyond their parametric capacity. However, it remains unclear whether these tool-enabled gains reflect trustworthy reasoning. Focusing on the Code Interpreter tool, we show that even when tools are selected and executed correctly, TaLMs treat tool outputs as substitutes for reasoning, producing solutions that appear correct but lack coherent justification. We term this failure mode Tool-Induced Myopia (TIM), and study it using PYMATH, a benchmark of 1,679 competition-level mathematical problems for which Python code is helpful but not sufficient. We further develop a multi-dimensional evaluation suite to quantify reasoning degradation in TaLMs relative to their non-tool counterparts. Our findings reveal that while TaLMs achieve up to a 19.3 percentage point gain in final-answer accuracy, their reasoning behavior consistently deteriorates (e.g., non-tool LLMs win up to 41.5% more often in pairwise comparisons of the reasoning process). This degradation intensifies with tool use; the more frequently a model invokes tools, the less coherent its reasoning becomes. Moreover, tool use shifts errors from arithmetic mistakes toward global reasoning failures (logic, assumption, creativity); with TIM present in ~55% of high-risk cases. Finally, we propose a preference-optimization-based framework that realigns TaLMs to use tools as assistive evidence, improving both final-answer accuracy and reasoning depth under tool use. Codes and data are available at: https://github.com/megagonlabs/TIM.

Large Language Models (LLMs), such as GPT-4, StarCoder, and CodeLlama, are transforming the way developers approach programming by automatically generating code based on given natural language descriptions. Despite advancements, generating syntactically and semantically correct code remains challenging, especially for complex programming tasks. Existing approaches typically generate multiple candidate solutions using LLMs to increase the likelihood of producing correct code. However, selecting the correct code from these candidates-a process known as code ranking-remains a major challenge. Current research on code ranking can be categorized into execution-based and non-execution-based methods. Execution-based methods, although effective, encounter notable limitations, such as scarcity of quality unit tests and security risks. Non-execution-based methods like CodeRanker, which rely solely on classification labels to train a code ranker, struggle to capture subtle errors and provide detailed error insights. Recognizing the strengths and limitations of both approaches, we propose a new method. The key insight of our work is that an effective code ranker is expected to truly comprehend the underlying causes of erroneous code, as relying solely on classification labels is insufficient. Inspired by this, this paper puts forward RankEF, an innovative approach for code ranking that leverages execution feedback. RankEF employs multi-task learning to integrate code classification with execution feedback generation. This approach enables the model to understand the reasons behind incorrect code, distinguishing between correct and incorrect solutions without the need to execute the code during the ranking phase. Experiments on three code generation benchmarks demonstrate that RankEF significantly outperforms the state-of-the-art CodeRanker.

Large language models can generate fluent answers that are unfaithful to the provided context, while many safeguards rely on external verification or a separate judge after generation. We introduce internal flow signatures that audit decision formation from depthwise dynamics at a fixed inter-block monitoring boundary. The method stabilizes token-wise motion via bias-centered monitoring, then summarizes trajectories in compact moving readout-aligned subspaces constructed from the top token and its close competitors within each depth window. Neighboring window frames are aligned by an orthogonal transport, yielding depth-comparable transported step lengths, turning angles, and subspace drift summaries that are invariant to within-window basis choices. A lightweight GRU validator trained on these signatures performs self-checking without modifying the base model. Beyond detection, the validator localizes a culprit depth event and enables a targeted refinement: the model rolls back to the culprit token and clamps an abnormal transported step at the identified block while preserving the orthogonal residual. The resulting pipeline provides actionable localization and low-overhead self-checking from internal decision dynamics. Code is available at github.com/EavnJeong/Internal-Flow-Signatures-for-Self-Checking-and-Refinement-in-LLMs.

Formal verification can provably guarantee the correctness of critical system software, but the high proof burden has long hindered its wide adoption. Recently, Large Language Models (LLMs) have shown success in code analysis and synthesis. In this paper, we present a combination of LLMs and static analysis to synthesize invariants, assertions, and other proof structures for a Rust-based formal verification framework called Verus. In a few-shot setting, LLMs demonstrate impressive logical ability in generating postconditions and loop invariants, especially when analyzing short code snippets. However, LLMs lack the ability to retain and propagate context information, a strength of traditional static analysis. Based on these observations, we developed a prototype based on OpenAI's GPT-4 model. Our prototype decomposes the verification task into multiple smaller ones, iteratively queries GPT-4, and combines its output with lightweight static analysis. We evaluated the prototype with a developer in the automation loop on 20 vector-manipulating programs. The results demonstrate that it significantly reduces human effort in writing entry-level proof code.

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.

Large language models (LLMs) have shown significant advancements in code generation, but still face challenges on tasks beyond their basic capabilities. Recently, the notion of self-debugging has been proposed to boost the performance of code generation by leveraging execution feedback from tests. Despite its promise, the availability of high-quality tests in real-world scenarios is limited. In this context, self-debugging with self-generated tests is a promising solution but lacks a full exploration of its limitations and practical potential. Therefore, we investigate its efficacy on diverse programming problems. To deepen our understanding, we propose two distinct paradigms for the process: post-execution and in-execution self-debugging. Within the scope of self-contained Python programming tasks, we find that post-execution self-debugging struggles on basic problems but shows potential for improvement on competitive ones, due to the bias introduced by self-generated tests. On the other hand, in-execution self-debugging enables LLMs to mitigate the bias by solely leveraging intermediate states during execution, thereby enhancing code generation.

Tool calling has emerged as a critical capability for AI agents to interact with the real world and solve complex tasks. While the Model Context Protocol (MCP) provides a powerful standardized framework for tool integration, there is a significant gap in benchmarking how well AI agents can effectively solve multi-step tasks using diverse MCP tools in realistic, dynamic scenarios. In this work, we present LiveMCP-101, a benchmark of 101 carefully curated real-world queries, refined through iterative LLM rewriting and manual review, that require coordinated use of multiple MCP tools including web search, file operations, mathematical reasoning, and data analysis. Moreover, we introduce a novel evaluation approach that leverages ground-truth execution plans rather than raw API outputs, better reflecting the evolving nature of real-world environments. Experiments show that even frontier LLMs achieve a success rate below 60\%, highlighting major challenges in tool orchestration. Detailed ablations and error analysis further reveal distinct failure modes and inefficiencies in token usage, pointing to concrete directions for advancing current models. LiveMCP-101 sets a rigorous standard for evaluating real-world agent capabilities, advancing toward autonomous AI systems that reliably execute complex tasks through tool use.

Large language models (LLMs) have demonstrated exceptional reasoning capabilities, enabling them to solve various complex problems. Recently, this ability has been applied to the paradigm of tool learning. Tool learning involves providing examples of tool usage and their corresponding functions, allowing LLMs to formulate plans and demonstrate the process of invoking and executing each tool. LLMs can address tasks that they cannot complete independently, thereby enhancing their potential across different tasks. However, this approach faces two key challenges. First, redundant error correction leads to unstable planning and long execution time. Additionally, designing a correct plan among multiple tools is also a challenge in tool learning. To address these issues, we propose Tool-Planner, a task-processing framework based on toolkits. Tool-Planner groups tools based on the API functions with the same function into a toolkit and allows LLMs to implement planning across the various toolkits. When a tool error occurs, the language model can reselect and adjust tools based on the toolkit. Experiments show that our approach demonstrates a high pass and win rate across different datasets and optimizes the planning scheme for tool learning in models such as GPT-4 and Claude 3, showcasing the potential of our method.

We introduce MPLSandbox, an out-of-the-box multi-programming language sandbox designed to provide unified and comprehensive feedback from compiler and analysis tools for Large Language Models (LLMs). It can automatically identify the programming language of the code, compiling and executing it within an isolated sub-sandbox to ensure safety and stability. In addition, MPLSandbox also integrates both traditional and LLM-based code analysis tools, providing a comprehensive analysis of generated code. MPLSandbox can be effortlessly integrated into the training and deployment of LLMs to improve the quality and correctness of their generated code. It also helps researchers streamline their workflows for various LLM-based code-related tasks, reducing the development cost. To validate the effectiveness of MPLSandbox, we integrate it into training and deployment approaches, and also employ it to optimize workflows for a wide range of real-world code-related tasks. Our goal is to enhance researcher productivity on LLM-based code-related tasks by simplifying and automating workflows through delegation to MPLSandbox.

Refactoring is a common software engineering practice that improves code quality without altering program behavior. Although tools like ReExtractor+, RefactoringMiner, and RefDiff have been developed to detect refactorings automatically, they rely on complex rule definitions and static analysis, making them difficult to extend and generalize to other programming languages. In this paper, we investigate the viability of using foundation models for refactoring detection, implemented in a tool named RefModel. We evaluate Phi4-14B, and Claude 3.5 Sonnet on a dataset of 858 single-operation transformations applied to artificially generated Java programs, covering widely-used refactoring types. We also extend our evaluation by including Gemini 2.5 Pro and o4-mini-high, assessing their performance on 44 real-world refactorings extracted from four open-source projects. These models are compared against RefactoringMiner, RefDiff, and ReExtractor+. RefModel is competitive with, and in some cases outperform, traditional tools. In real-world settings, Claude 3.5 Sonnet and Gemini 2.5 Pro jointly identified 97% of all refactorings, surpassing the best-performing static-analysis-based tools. The models showed encouraging generalization to Python and Golang. They provide natural language explanations and require only a single sentence to define each refactoring type.

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-using LLM agents still struggle in open-world settings with large tool pools, long-horizon objectives, wild constraints, and unreliable tool states. For scalable and realistic training and testing, we introduce an open-world tool-using environment, built on 5,571 format unified tools across 204 commonly used apps. It includes a task creation engine that synthesizes long-horizon, multi-tool workflows with wild constraints, and a state controller that injects interruptions and failures to stress-test robustness. On top of this environment, we develop a tool select-then-execute agent framework with a planner-actor decomposition to separate deliberate reasoning and self-correction from step-wise execution. Comprehensive evaluation of state-of-the-art LLMs reveals the misalignment between tool planning and execution abilities, the constraint following weakness of existing LLMs, and DeepSeek-v3.2's strongest robustness. Finally, we collect 1,170 trajectories from our environment to fine-tune LLMs, achieving superior performance to baselines using 119k samples, indicating the environment's value as both a realistic benchmark and a data engine for tool-using agents. Our code and data will be publicly released.

The complexity of large language model (LLM) serving workloads has substantially increased due to the integration with external tool invocations, such as ChatGPT plugins. In this paper, we identify a new opportunity for efficient LLM serving for requests that trigger tools: tool partial execution alongside LLM decoding. To this end, we design Conveyor, an efficient LLM serving system optimized for handling requests involving external tools. We introduce a novel interface for tool developers to expose partial execution opportunities to the LLM serving system and a request scheduler that facilitates partial tool execution. Our results demonstrate that tool partial execution can improve request completion latency by up to 38.8%.

Automatic evaluation with large language models, commonly known as LLM-as-a-judge, is now standard across reasoning and alignment tasks. Despite evaluating many samples in deployment, these evaluators typically (i) treat each case independently, missing the opportunity to accumulate experience, and (ii) rely on a single fixed prompt for all cases, neglecting the need for sample-specific evaluation criteria. We introduce Learning While Evaluating (LWE), a framework that allows evaluators to improve sequentially at inference time without requiring training or validation sets. LWE maintains an evolving meta-prompt that (i) produces sample-specific evaluation instructions and (ii) refines itself through self-generated feedback. Furthermore, we propose Selective LWE, which updates the meta-prompt only on self-inconsistent cases, focusing computation where it matters most. This selective approach retains the benefits of sequential learning while being far more cost-effective. Across two pairwise comparison benchmarks, Selective LWE outperforms strong baselines, empirically demonstrating that evaluators can improve during sequential testing with a simple selective update, learning most from the cases they struggle with.

As language models regularly make mistakes when solving math problems, automated identification of errors in the reasoning process becomes increasingly significant for their scalable oversight. In this paper, we introduce ProcessBench for measuring the ability to identify erroneous steps in mathematical reasoning. It consists of 3,400 test cases, primarily focused on competition- and Olympiad-level math problems. Each test case contains a step-by-step solution with error location annotated by human experts. Models are required to identify the earliest step that contains an error, or conclude that all steps are correct. We conduct extensive evaluation on ProcessBench, involving two types of models: process reward models (PRMs) and critic models, where for the latter we prompt general language models to critique each solution step by step. We draw two main observations: (1) Existing PRMs typically fail to generalize to more challenging math problems beyond GSM8K and MATH. They underperform both critic models (i.e., prompted general language models) and our own trained PRM that is straightforwardly fine-tuned on the PRM800K dataset. (2) The best open-source model, QwQ-32B-Preview, has demonstrated the critique capability competitive with the proprietary model GPT-4o, despite that it still lags behind the reasoning-specialized o1-mini. We hope ProcessBench can foster future research in reasoning process assessment, paving the way toward scalable oversight of language models.

Code clone detection is a critical task in software engineering, aimed at identifying duplicated or similar code fragments within or across software systems. Traditional methods often fail to capture functional equivalence, particularly for semantic clones (Type 4), where code fragments implement identical functionality despite differing syntactic structures. Recent advances in large language models (LLMs) have shown promise in understanding code semantics. However, directly applying LLMs to code clone detection yields suboptimal results due to their sensitivity to syntactic differences. To address these challenges, we propose a novel two-stage framework that combines LLM-based screening with execution-based validation for detecting semantic clones in Python programs. In the first stage, an LLM evaluates code pairs to filter out obvious non-clones based on semantic analysis. For pairs not identified as clones, the second stage employs an execution-based validation approach, utilizing LLM-generated test inputs to assess functional equivalence through cross-execution validation. Our experimental evaluation demonstrates significant improvements in precision, recall, and F1-score compared to direct LLM-based detection, highlighting the framework's effectiveness in identifying semantic clones. Future work includes exploring cross-language clone detection and optimizing the framework for large-scale applications.

Recently, given the docstring for the target problem and the target function signature, large language models (LLMs) have been used not only to generate source code, but also to generate test cases, consisting of test inputs and assertions (e.g., in the form of checking an actual output against the expected output). However, as shown by our empirical study on assertions generated by four LLMs for the HumanEval benchmark, over 62% of the generated assertions are incorrect (i.e., failed on the ground-truth problem solution). To detect incorrect assertions (given the docstring and the target function signature along with a sample of example inputs and outputs), in this paper, we propose a new approach named DeCon to effectively detect incorrect assertions via LLM-generated postconditions for the target problem (a postcondition is a predicate that must always be true just after the execution of the ground-truth problem solution). Our approach requires a small set of I/O examples (i.e., a sample of example inputs and outputs) for the target problem (e.g., the I/O examples included in the docstring for a target problem in HumanEval). We use the given I/O examples to filter out those LLM-generated postconditions that are violated by at least one given I/O example. We then use the remaining postconditions to detect incorrect assertions as those assertions that violate at least one remaining postcondition. Experimental results show that DeCon can detect averagely more than 64% (63% and 65.5% detected by GPT-3.5 and GPT-4, respectively) incorrect assertions generated by four state-of-the-art LLMs, and DeCon can also improve the effectiveness of these LLMs in code generation by 4% in terms of Pass@1. In addition, although DeCon might filter out correct assertions, the fault-finding ability of the remaining correct assertions decreases only slightly.

Current tool-use large language models (LLMs) are trained on static datasets, enabling them to interact with external tools and perform multi-step, tool-integrated reasoning, which produces tool-call trajectories. However, these models imitate how a query is resolved in a generic tool-call routine, thereby failing to explore possible solutions and demonstrating limited performance in an evolved, dynamic tool-call environment. In this work, we propose PORTool, a reinforcement learning (RL) method that encourages a tool-use LLM to explore various trajectories yielding the correct answer. Specifically, this method starts with generating multiple rollouts for a given query, and some of them share the first few tool-call steps, thereby forming a tree-like structure. Next, we assign rewards to each step, based on its ability to produce a correct answer and make successful tool calls. A shared step across different trajectories receives the same reward, while different steps under the same fork receive different rewards. Finally, these step-wise rewards are used to calculate fork-relative advantages, blended with trajectory-relative advantages, to train the LLM for tool use. The experiments utilize 17 tools to address user queries, covering both time-sensitive and time-invariant topics. We conduct ablation studies to systematically justify the necessity and the design robustness of step-wise rewards. Furthermore, we compare the proposed PORTool with other training approaches and demonstrate significant improvements in final accuracy and the number of tool-call steps.

Automated LLM-as-a-Judge frameworks have become the de facto standard for scalable evaluation across natural language processing. For instance, in safety evaluation, these judges are relied upon to evaluate harmfulness in order to benchmark the robustness of safety against adversarial attacks. However, we show that existing validation protocols fail to account for substantial distribution shifts inherent to red-teaming: diverse victim models exhibit distinct generation styles, attacks distort output patterns, and semantic ambiguity varies significantly across jailbreak scenarios. Through a comprehensive audit using 6642 human-verified labels, we reveal that the unpredictable interaction of these shifts often causes judge performance to degrade to near random chance. This stands in stark contrast to the high human agreement reported in prior work. Crucially, we find that many attacks inflate their success rates by exploiting judge insufficiencies rather than eliciting genuinely harmful content. To enable more reliable evaluation, we propose ReliableBench, a benchmark of behaviors that remain more consistently judgeable, and JudgeStressTest, a dataset designed to expose judge failures. Data available at: https://github.com/SchwinnL/LLMJudgeReliability.

Generating step-by-step "how-to" procedures is a key LLM capability: how-to advice is commonly requested in chatbots, and step-by-step planning is critical for reasoning over complex tasks. Yet, measuring and improving procedural validity at scale on real-world tasks remains challenging and understudied. To address this, we introduce How2Everything, a scalable framework to evaluate and improve goal-conditioned procedure generation. Our framework includes How2Mine, which mines 351K procedures from 980K web pages across 14 topics and readily scales to larger corpora. From this pool we build How2Bench, a 7K-example evaluation set balanced across topics. To reliably score model outputs, we develop How2Score, an evaluation protocol that uses an LLM judge to detect whether a generation contains any critical failure that would prevent achieving the goal. For low-cost, reproducible evaluation, we distill a frontier model into an open 8B model, achieving 80.5% agreement with human annotators. How2Bench reveals clear scaling trends across model sizes and training stages, providing signal early in pretraining. Finally, RL using How2Score as a reward improves performance on How2Bench by >10 points across three models without systematic regressions on standard benchmarks, with gains robust to superficial source-document memorization or format compliance. Taken together, How2Everything shows how pretraining web data can support a closed loop of capability evaluation and improvement at scale.

AI agents often fail in ways that are difficult to localize because executions are probabilistic, long-horizon, multi-agent, and mediated by noisy tool outputs. We address this gap by manually annotating failed agent runs and release a novel benchmark of 115 failed trajectories spanning structured API workflows, incident management, and open-ended web/file tasks. Each trajectory is annotated with a critical failure step and a category from a grounded-theory derived, cross-domain failure taxonomy. To mitigate the human cost of failure attribution, we present AGENTRX, an automated domain-agnostic diagnostic framework that pinpoints the critical failure step in a failed agent trajectory. It synthesizes constraints, evaluates them step-by-step, and produces an auditable validation log of constraint violations with associated evidence; an LLM-based judge uses this log to localize the critical step and category. Our framework improves step localization and failure attribution over existing baselines across three domains.

Reliable evaluation is essential for developing and deploying large language models, yet in practice it often requires substantial manual effort: practitioners must identify appropriate benchmarks, reproduce heterogeneous evaluation codebases, configure dataset schema mappings, and interpret aggregated metrics. To address these challenges, we present One-Eval, an agentic evaluation system that converts natural-language evaluation requests into executable, traceable, and customizable evaluation workflows. One-Eval integrates (i) NL2Bench for intent structuring and personalized benchmark planning, (ii) BenchResolve for benchmark resolution, automatic dataset acquisition, and schema normalization to ensure executability, and (iii) Metrics \& Reporting for task-aware metric selection and decision-oriented reporting beyond scalar scores. The system further incorporates human-in-the-loop checkpoints for review, editing, and rollback, while preserving sample evidence trails for debugging and auditability. Experiments show that One-Eval can execute end-to-end evaluations from diverse natural-language requests with minimal user effort, supporting more efficient and reproducible evaluation in industrial settings. Our framework is publicly available at https://github.com/OpenDCAI/One-Eval.

While LLM-based agents can interact with environments via invoking external tools, their expanded capabilities also amplify security risks. Monitoring step-level tool invocation behaviors in real time and proactively intervening before unsafe execution is critical for agent deployment, yet remains under-explored. In this work, we first construct TS-Bench, a novel benchmark for step-level tool invocation safety detection in LLM agents. We then develop a guardrail model, TS-Guard, using multi-task reinforcement learning. The model proactively detects unsafe tool invocation actions before execution by reasoning over the interaction history. It assesses request harmfulness and action-attack correlations, producing interpretable and generalizable safety judgments and feedback. Furthermore, we introduce TS-Flow, a guardrail-feedback-driven reasoning framework for LLM agents, which reduces harmful tool invocations of ReAct-style agents by 65 percent on average and improves benign task completion by approximately 10 percent under prompt injection attacks.

Current LLM-based coding agents follow a serial execution paradigm: the model first generates the complete code, then invokes an interpreter to execute it. This sequential workflow leaves the executor idle during generation and the generator idle during execution, resulting in unnecessary end-to-end latency. We observe that, unlike human developers, LLMs produce code tokens sequentially without revision, making it possible to execute code as it is being generated. We formalize this parallel execution paradigm, modeling it as a three-stage pipeline of generation, detection, and execution, and derive closed-form latency bounds that characterize its speedup potential and operating regimes. We then present Eager, a concrete implementation featuring AST-based chunking, dynamic batching with gated execution, and early error interruption. We evaluate Eager across four benchmarks, seven LLMs, and three execution environments. Results show that Eager reduces the non-overlapped execution latency by up to 99.9% and the end-to-end latency by up to 55% across seven LLMs and four benchmarks.

The code generation capabilities of large language models(LLMs) have emerged as a critical dimension in evaluating their overall performance. However, prior research has largely overlooked the security risks inherent in the generated code. In this work, we introduce SafeGenBench, a benchmark specifically designed to assess the security of LLM-generated code. The dataset encompasses a wide range of common software development scenarios and vulnerability types. Building upon this benchmark, we develop an automatic evaluation framework that leverages both static application security testing(SAST) and LLM-based judging to assess the presence of security vulnerabilities in model-generated code. Through the empirical evaluation of state-of-the-art LLMs on SafeGenBench, we reveal notable deficiencies in their ability to produce vulnerability-free code. Our findings highlight pressing challenges and offer actionable insights for future advancements in the secure code generation performance of LLMs. The data and code will be released soon.

Recent advances in automated test generation utilises language models to produce unit tests. While effective, language models tend to generate many incorrect tests with respect to both syntax and semantics. Although such incorrect tests can be easily detected and discarded, they constitute a "missed opportunity" -- if fixed, they are often valuable as they directly add testing value (they effectively target the underlying program logic to be tested) and indirectly form good seeds for generating additional tests. To this end, we propose a simple technique for repairing some of these incorrect tests through a combination of rule-based static analysis and re-prompting. We evaluate this simple approach, named YATE, on a set of 6 open-source projects and show that it can effectively produce tests that cover on average 32.06% more lines and kill 21.77% more mutants than a plain LLM-based method. We also compare YATE with four other LLM-based methods, namely HITS, SYMPROMPT, TESTSPARK and COVERUP and show that it produces tests that cover substantially more code. YATE achieves 22% higher line coverage, 20% higher branch coverage and kill 20% more mutants at a comparable cost (number of calls to LLMs).

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.

Large Language Models (LLMs) and other automated techniques have been increasingly used to support software developers by generating software artifacts such as code snippets, patches, and comments. However, accurately assessing the correctness of these generated artifacts remains a significant challenge. On one hand, human evaluation provides high accuracy but is labor-intensive and lacks scalability. On the other hand, many automatic evaluation metrics are scalable and require minimal human effort, but they often fail to accurately reflect the actual correctness of generated software artifacts. In this paper, we present SE-Jury, the first evaluation metric for LLM-as-Ensemble-Judge specifically designed to accurately assess the correctness of generated software artifacts. SE-Jury first defines five distinct evaluation strategies, each implemented by an independent judge. A dynamic team selection mechanism then identifies the most appropriate subset of judges as a team to produce a final correctness score through ensembling. We evaluate SE-Jury across a diverse set of software engineering (SE) benchmarks that span three popular SE tasks: code generation, automated program repair, and code summarization. Results demonstrate that SE-Jury consistently achieves a higher correlation with human judgments, with improvements ranging from 29.6% to 140.8% over existing automatic metrics. SE-Jury reaches agreement levels with human annotators that are close to inter-annotator agreement in code generation and program repair. These findings underscore SE-Jury's potential as a scalable and reliable alternative to human evaluation in these SE tasks.

While Large Language Models (LLMs) have shown promise in software engineering, their application to unit testing remains largely confined to isolated test generation or oracle prediction, neglecting the broader challenge of test suite maintenance. We introduce TAM-Eval (Test Automated Maintenance Evaluation), a framework and benchmark designed to evaluate model performance across three core test maintenance scenarios: creation, repair, and updating of test suites. Unlike prior work limited to function-level tasks, TAM-Eval operates at the test file level, while maintaining access to full repository context during isolated evaluation, better reflecting real-world maintenance workflows. Our benchmark comprises 1,539 automatically extracted and validated scenarios from Python, Java, and Go projects. TAM-Eval supports system-agnostic evaluation of both raw LLMs and agentic workflows, using a reference-free protocol based on test suite pass rate, code coverage, and mutation testing. Empirical results indicate that state-of-the-art LLMs have limited capabilities in realistic test maintenance processes and yield only marginal improvements in test effectiveness. We release TAM-Eval as an open-source framework to support future research in automated software testing. Our data and code are publicly available at https://github.com/trndcenter/TAM-Eval.

Nowadays, developers increasingly rely on solutions powered by Large Language Models (LLM) to assist them with their coding tasks. This makes it crucial to align these tools with human values to prevent malicious misuse. In this paper, we propose a comprehensive framework for assessing the potential harmfulness of LLMs within the software engineering domain. We begin by developing a taxonomy of potentially harmful software engineering scenarios and subsequently, create a dataset of prompts based on this taxonomy. To systematically assess the responses, we design and validate an automatic evaluator that classifies the outputs of a variety of LLMs both open-source and closed-source models, as well as general-purpose and code-specific LLMs. Furthermore, we investigate the impact of models size, architecture family, and alignment strategies on their tendency to generate harmful content. The results show significant disparities in the alignment of various LLMs for harmlessness. We find that some models and model families, such as Openhermes, are more harmful than others and that code-specific models do not perform better than their general-purpose counterparts. Notably, some fine-tuned models perform significantly worse than their base-models due to their design choices. On the other side, we find that larger models tend to be more helpful and are less likely to respond with harmful information. These results highlight the importance of targeted alignment strategies tailored to the unique challenges of software engineering tasks and provide a foundation for future work in this critical area.

Modern code generation has made significant strides in functional correctness and execution efficiency. However, these systems often overlook a critical dimension in real-world software development: maintainability. To handle dynamic requirements with minimal rework, we propose MaintainCoder as a pioneering solution. It integrates the Waterfall model, design patterns, and multi-agent collaboration to systematically enhance cohesion, reduce coupling, achieving clear responsibility boundaries and better maintainability. We also introduce MaintainCoder, a benchmark comprising requirement changes and novel dynamic metrics on maintenance efforts. Experiments demonstrate that existing code generation methods struggle to meet maintainability standards when requirements evolve. In contrast, MaintainCoder improves dynamic maintainability metrics by more than 60% with even higher correctness of initial codes. Furthermore, while static metrics fail to accurately reflect maintainability and even contradict each other, our proposed dynamic metrics exhibit high consistency. Our work not only provides the foundation for maintainable code generation, but also highlights the need for more realistic and comprehensive code generation research. Resources: https://github.com/IAAR-Shanghai/MaintainCoder.

Recent research shows the potential of enhancing the problem-solving ability of large language models (LLMs) through the use of external tools. However, prior work along this line depends on the availability of existing tools. In this work, we take an initial step towards removing this dependency by proposing a closed-loop framework, referred to as LLMs As Tool Makers (LATM), where LLMs create their own reusable tools for problem-solving. Our approach consists of two key phases: 1) tool making: an LLM acts as the tool maker that crafts tools for given tasks, where a tool is implemented as a Python utility function. 2) tool using: an LLM acts as the tool user, which applies the tool built by the tool maker for problem-solving. The tool user can be either the same or a different LLM from the tool maker. Tool-making enables an LLM to continually generate tools that can be applied to different requests so that future requests can call the corresponding APIs when beneficial for solving the tasks. Furthermore, the division of labor among LLMs for tool-making and tool-using phases introduces the opportunity to achieve cost effectiveness without degrading the quality of generated tools and problem solutions. For example, recognizing that tool-making demands more sophisticated capabilities than tool-using, we can apply a powerful yet resource-intensive model as the tool maker, and a lightweight while cost-effective model as the tool user. We validate the effectiveness of our approach across a variety of complex reasoning tasks, including Big-Bench tasks. With GPT-4 as the tool maker and GPT-3.5 as the tool user, LATM can achieve performance that is on par with using GPT-4 for both tool making and tool using, while the inference cost is significantly reduced.

As LLMs see wide adoption in software engineering, the reliable assessment of the correctness and security of LLM-generated code is crucial. Notably, prior work has demonstrated that security is often overlooked, exposing that LLMs are prone to generating code with security vulnerabilities. These insights were enabled by specialized benchmarks, crafted through significant manual effort by security experts. However, relying on manually-crafted benchmarks is insufficient in the long term, because benchmarks (i) naturally end up contaminating training data, (ii) must extend to new tasks to provide a more complete picture, and (iii) must increase in difficulty to challenge more capable LLMs. In this work, we address these challenges and present AutoBaxBuilder, a framework that generates tasks and tests for code security benchmarking from scratch. We introduce a robust pipeline with fine-grained plausibility checks, leveraging the code understanding capabilities of LLMs to construct functionality tests and end-to-end security-probing exploits. To confirm the quality of the generated benchmark, we conduct both a qualitative analysis and perform quantitative experiments, comparing it against tasks constructed by human experts. We use AutoBaxBuilder to construct entirely new tasks and release them to the public as AutoBaxBench, together with a thorough evaluation of the security capabilities of LLMs on these tasks. We find that a new task can be generated in under 2 hours, costing less than USD 10.

We introduce WebApp1K, a practical code-generation benchmark to measure LLM ability to develop web apps. This benchmark aims to calibrate LLM output and aid the models to progressively improve code correctness and functionality. The benchmark is lightweight and easy to run. We present the initial version of WebApp1K, and share our findings of running the benchmark against the latest frontier LLMs. First, open source LLMs deliver impressive performance, closely trailing behind GPT-4o and Claude 3.5. Second, model size has strong correlation with code correctness. Third, no prompting techniques have been found to lift performance either universally to all models, or significantly to a single model.

A promising research direction in enabling LLMs to generate consistently correct code involves addressing their inability to properly estimate program execution, particularly for code they generate. In this work, we demonstrate that Code LLMs can be trained to simulate program execution in a step-by-step manner and that this capability can be leveraged to improve competitive programming performance. Our approach combines supervised fine-tuning on natural language execution traces, textual explanations grounded in true execution, with reinforcement learning using verifiable rewards. We introduce two complementary objectives: output prediction given code and inputs, and solving competitive programming tasks with either ground-truth or self-predicted execution feedback. These objectives enable models to perform self-verification over multiple candidate solutions, and iterative self-fixing by simulating test execution. Across multiple competitive programming benchmarks, our method yields consistent improvements over standard reasoning approaches. We further present ablations and analysis to elucidate the role of execution simulation and its limitations.

Function calling enables large language models (LLMs) to interact with external systems by leveraging tools and APIs. When faced with multi-step tool usage, LLMs still struggle with tool selection, parameter generation, and tool-chain planning. Existing methods typically rely on manually designing task-specific demonstrations, or retrieving from a curated library. These approaches demand substantial expert effort and prompt engineering becomes increasingly complex and inefficient as tool diversity and task difficulty scale. To address these challenges, we propose a self-guided method, Stepwise Experience Recall (SEER), which performs fine-grained, stepwise retrieval from a continually updated experience pool. Instead of relying on static or manually curated library, SEER incrementally augments the experience pool with past successful trajectories, enabling continuous expansion of the pool and improved model performance over time. Evaluated on the ToolQA benchmark, SEER achieves an average improvement of 6.1% on easy and 4.7% on hard questions. We further test SEER on τ-bench, which includes two real-world domains. Powered by Qwen2.5-7B and Qwen2.5-72B models, SEER demonstrates substantial accuracy gains of 7.44% and 23.38%, respectively.

The strong performance of large language models (LLMs) on natural language processing tasks raises extensive discussion on their application to code generation. Recent work suggests multiple sampling approaches to improve initial code generation accuracy or program repair approaches to refine the code. However, these methods suffer from LLMs' inefficiencies and limited reasoning capacity. In this work, we propose an LLM programming workflow (LPW) designed to improve both initial code generation and subsequent refinements within a structured two-phase workflow. Specifically, in the solution generation phase, the LLM first outlines a solution plan that decomposes the problem into manageable sub-problems and then verifies the generated solution plan through visible test cases. Subsequently, in the code implementation phase, the LLM initially drafts a code according to the solution plan and its verification. If the generated code fails the visible tests, the plan verification serves as the intended natural language solution to inform the refinement process for correcting bugs. We further introduce SLPW, a sampling variant of LPW, which initially generates multiple solution plans and plan verifications, produces a program for each plan and its verification, and refines each program as necessary until one successfully passes the visible tests. Compared to the state-of-the-art methods across various existing LLMs, our experimental results show that LPW significantly improves the Pass@1 accuracy by up to 16.4% on well-established text-to-code generation benchmarks, especially with a notable improvement of around 10% on challenging benchmarks. Additionally, SLPW demonstrates up to a 5.6% improvement over LPW and sets new state-of-the-art Pass@1 accuracy on various benchmarks, e.g., 98.2% on HumanEval, 84.8% on MBPP, 64.0% on APPS, and 35.3% on CodeContest, using GPT-4o as the backbone.

Recent studies on software tool manipulation with large language models (LLMs) mostly rely on closed model APIs. The industrial adoption of these models is substantially constrained due to the security and robustness risks in exposing information to closed LLM API services. In this paper, we ask can we enhance open-source LLMs to be competitive to leading closed LLM APIs in tool manipulation, with practical amount of human supervision. By analyzing common tool manipulation failures, we first demonstrate that open-source LLMs may require training with usage examples, in-context demonstration and generation style regulation to resolve failures. These insights motivate us to revisit classical methods in LLM literature, and demonstrate that we can adapt them as model alignment with programmatic data generation, system prompts and in-context demonstration retrievers to enhance open-source LLMs for tool manipulation. To evaluate these techniques, we create the ToolBench, a tool manipulation benchmark consisting of diverse software tools for real-world tasks. We demonstrate that our techniques can boost leading open-source LLMs by up to 90% success rate, showing capabilities competitive to OpenAI GPT-4 in 4 out of 8 ToolBench tasks. We show that such enhancement typically requires about one developer day to curate data for each tool, rendering a recipe with practical amount of human supervision.

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.

Test-time reinforcement learning (TTRL) has emerged as a promising paradigm for self-evolving large reasoning models (LRMs), enabling online adaptation on unlabeled test inputs via self-induced rewards through majority voting. However, a spurious yet high-frequency unverified consensus can become a biased and reinforced reward signal, leading to incorrect mode collapse. We address this failure mode with T^3RL (Tool-Verification for Test-Time Reinforcement Learning), which introduces test-time tool verification into reward estimation. Concretely, a verifier uses an external tool as evidence (e.g., from code execution) to upweight verified rollouts in a verification-aware voting, producing more reliable pseudo-labels for training. Across various math difficulties (MATH-500, AMC, and AIME 2024) and diverse backbone types, T^3RL significantly improves over TTRL, with larger gains on harder problems. More broadly, T^3RL can be viewed as verified online data synthesis, highlighting test-time tool verification as a key mechanism for stabilizing self-evolution.

Large Language Models have gained considerable attention for their revolutionary capabilities. However, there is also growing concern on their safety implications, making a comprehensive safety evaluation for LLMs urgently needed before model deployment. In this work, we propose S-Eval, a new comprehensive, multi-dimensional and open-ended safety evaluation benchmark. At the core of S-Eval is a novel LLM-based automatic test prompt generation and selection framework, which trains an expert testing LLM Mt combined with a range of test selection strategies to automatically construct a high-quality test suite for the safety evaluation. The key to the automation of this process is a novel expert safety-critique LLM Mc able to quantify the riskiness score of a LLM's response, and additionally produce risk tags and explanations. Besides, the generation process is also guided by a carefully designed risk taxonomy with four different levels, covering comprehensive and multi-dimensional safety risks of concern. Based on these, we systematically construct a new and large-scale safety evaluation benchmark for LLMs consisting of 220,000 evaluation prompts, including 20,000 base risk prompts (10,000 in Chinese and 10,000 in English) and 200, 000 corresponding attack prompts derived from 10 popular adversarial instruction attacks against LLMs. Moreover, considering the rapid evolution of LLMs and accompanied safety threats, S-Eval can be flexibly configured and adapted to include new risks, attacks and models. S-Eval is extensively evaluated on 20 popular and representative LLMs. The results confirm that S-Eval can better reflect and inform the safety risks of LLMs compared to existing benchmarks. We also explore the impacts of parameter scales, language environments, and decoding parameters on the evaluation, providing a systematic methodology for evaluating the safety of LLMs.

Large language models (LLMs) have demonstrated an impressive ability to generate code for various programming tasks. In many instances, LLMs can generate a correct program for a task when given numerous trials. Consequently, a recent trend is to do large scale sampling of programs using a model and then filtering/ranking the programs based on the program execution on a small number of known unit tests to select one candidate solution. However, these approaches assume that the unit tests are given and assume the ability to safely execute the generated programs (which can do arbitrary dangerous operations such as file manipulations). Both of the above assumptions are impractical in real-world software development. In this paper, we propose CodeRanker, a neural ranker that can predict the correctness of a sampled program without executing it. Our CodeRanker is fault-aware i.e., it is trained to predict different kinds of execution information such as predicting the exact compile/runtime error type (e.g., an IndexError or a TypeError). We show that CodeRanker can significantly increase the pass@1 accuracy of various code generation models (including Codex, GPT-Neo, GPT-J) on APPS, HumanEval and MBPP datasets.