Daily Papers

Tool-using agents often incur substantial computational cost due to long reasoning chains and iterative tool usage. In practical scenarios, many tasks become infeasible under constrained tool environments, where the capabilities required for successful task completion are unavailable. Detecting infeasible tasks and stopping execution early can significantly reduce unnecessary execution cost. In this work, we propose FeasiGen, an automatic pipeline for constructing infeasible agent tasks by identifying the critical tools required for successful task completion. Our approach extracts tool-calling traces from successful executions across multiple agent systems, identifies critical tools consistently shared across diverse execution strategies, and masks these tools to automatically transform solvable tasks into infeasible ones. Human verification confirms that the infeasibility annotations for our constructed tasks achieve over 94% accuracy. We further introduce feasibility-aware evaluation metrics for measuring whether agents can recognize infeasible tasks and stop execution appropriately. Extensive evaluations across nine models reveal substantially weak infeasibility detection ability, with false continue rate reaching up to 73.9%. We further observe that multi-agent architectures significantly reduce erroneous execution under infeasible conditions.

As large language models (LLMs) evolve from static chatbots into autonomous agents, the primary vulnerability surface shifts from final outputs to intermediate execution traces. While safety guardrails are well-benchmarked for natural language responses, their efficacy remains largely unexplored within multi-step tool-use trajectories. To address this gap, we introduce TraceSafe-Bench, the first comprehensive benchmark specifically designed to assess mid-trajectory safety. It encompasses 12 risk categories, ranging from security threats (e.g., prompt injection, privacy leaks) to operational failures (e.g., hallucinations, interface inconsistencies), featuring over 1,000 unique execution instances. Our evaluation of 13 LLM-as-a-guard models and 7 specialized guardrails yields three critical findings: 1) Structural Bottleneck: Guardrail efficacy is driven more by structural data competence (e.g., JSON parsing) than semantic safety alignment. Performance correlates strongly with structured-to-text benchmarks (ρ=0.79) but shows near-zero correlation with standard jailbreak robustness. 2) Architecture over Scale: Model architecture influences risk detection performance more significantly than model size, with general-purpose LLMs consistently outperforming specialized safety guardrails in trajectory analysis. 3) Temporal Stability: Accuracy remains resilient across extended trajectories. Increased execution steps allow models to pivot from static tool definitions to dynamic execution behaviors, actually improving risk detection performance in later stages. Our findings suggest that securing agentic workflows requires jointly optimizing for structural reasoning and safety alignment to effectively mitigate mid-trajectory risks.

Large language models (LLMs) are increasingly tasked with invoking enterprise APIs, yet they routinely falter when near-duplicate tools vie for the same user intent or when required arguments are left underspecified. We introduce DiaFORGE (Dialogue Framework for Organic Response Generation & Evaluation), a disambiguation-centric, three-stage pipeline that (i) synthesizes persona-driven, multi-turn dialogues in which the assistant must distinguish among highly similar tools, (ii) performs supervised fine-tuning of open-source models with reasoning traces across 3B - 70B parameters, and (iii) evaluates real-world readiness via a dynamic suite that redeploys each model in a live agentic loop and reports end-to-end goal completion alongside conventional static metrics. On our dynamic benchmark DiaBENCH, models trained with DiaFORGE raise tool-invocation success by 27 pp over GPT-4o and by 49 pp over Claude-3.5-Sonnet, both under optimized prompting. To spur further research, we release an open corpus of 5000 production-grade enterprise API specifications paired with rigorously validated, disambiguation-focused dialogues, offering a practical blueprint for building reliable, enterprise-ready tool-calling agents.

Large language model (LLM) agents augmented with external tools often struggle as number of tools grow large and become domain-specific. In such settings, ambiguous tool descriptions and under-specified agent instructions frequently lead to tool mis-selection and incorrect slot/value instantiation. We hypothesize that this is due to two root causes: generic, one-size-fits-all prompts that ignore tool-specific nuances, and underspecified tool schemas that lack clear guidance on when and how to use each tool and how to format its parameters. We introduce Joint Tool-Prompt Reflective Optimization (JTPRO), a framework for improving tool-calling reliability in trace-supervised settings by iteratively using rollout-driven reflection to co-optimize global instructions and per-tool schema/argument descriptions for accurate tool selection and argument instantiation in large tool inventories. JTPRO is designed to preserve only tool-local cues needed for correct disambiguation and slot filling. We evaluate JTPRO across multi-tool benchmarks, which account for different number of tools using three metrics: Tool Selection Accuracy (TSA), Slot Filling Accuracy(SFA), and Overall Success Rate(OSR) (correct tool + correct slots + correct values). JTPRO consistently outperforms strong baselines, including CoT-style agents, and reflective prompt optimizers such as GEPA by 5%-20% (relative) on OSR. Ablations show that joint optimization of instructions and tool schemas is more effective and robust than optimizing either component in isolation.

Coding agents are rapidly becoming a major application of agentic LLMs, but serving them efficiently remains challenging. Progress on this challenge requires understanding real workload patterns, yet the data needed for such analysis is largely absent. Existing public traces and benchmarks do not capture real, day-to-day coding-agent usage across multiple agents and model families for serving-system analysis. To help fill this gap, we collect and release a trace of roughly 4,300 coding-agent sessions, containing about 350,000 LLM steps and 430,000 tool calls from our own day-to-day use of Claude Code and Codex. Our analysis shows that coding-agent workloads feature long autonomous loops, long contexts with short outputs, diverse and heavily-tailed tool calls, and high but imperfect prefix cache hit rates. These findings point to concrete opportunities for optimizing serving, including lower-overhead tool calling, append-length-aware prefill, semantic-aware tool-latency prediction, and improved KV-cache management around human-paced gaps. We release the dataset, trace collection pipeline, and analysis code at https://github.com/uw-syfi/TraceLab.git the project website is https://tracelab.cs.washington.edu.

Users rely on execution traces to observe agent behavior, diagnose failures, and ensure accountability. These traces contain rich procedural detail, including tool invocations, intermediate decisions, and error-recovery logic. Yet this detail can expose private procedural skills, allowing downstream methods to recover key formulas, thresholds, and strategies without access to model weights or skill files. To quantify this risk and evaluate protection, we construct CapTraceBench, a benchmark of 75 specialized long-horizon tasks and 154 curated skills across seven domains. We also introduce RedAct https://github.com/XuShuwenn/RedAct, a protected trace release framework that localizes protected key information, rewrites traces while preserving verifier-critical evidence, and embeds behavioral watermarks for downstream provenance analysis. Across representative trace reuse methods, RedAct reduces normalized skill transfer (NST) from 44.7--67.1\% on raw traces to below the no-skill baseline, while preserving audit evidence. Its standalone behavioral watermarks reach 93.6--100.0\% true detection with a false alarm rate of at most 1.9\%. These results frame public agent traces as security interfaces and show that selective redaction can reduce procedural capability leakage without removing audit evidence.

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-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.

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

Code agents are advancing rapidly, but debugging them is becoming increasingly difficult. As frameworks orchestrate parallel tool calls and multi-stage workflows over complex tasks, making the agent's state transitions and error propagation hard to observe. In these runs, an early misstep can trap the agent in unproductive loops or even cascade into fundamental errors, forming hidden error chains that make it hard to tell when the agent goes off track and why. Existing agent tracing analyses either focus on simple interaction or rely on small-scale manual inspection, which limits their scalability and usefulness for real coding workflows. We present CodeTracer, a tracing architecture that parses heterogeneous run artifacts through evolving extractors, reconstructs the full state transition history as a hierarchical trace tree with persistent memory, and performs failure onset localization to pinpoint the failure origin and its downstream chain. To enable systematic evaluation, we construct CodeTraceBench from a large collection of executed trajectories generated by four widely used code agent frameworks on diverse code tasks (e.g., bug fixing, refactoring, and terminal interaction), with supervision at both the stage and step levels for failure localization. Experiments show that CodeTracer substantially outperforms direct prompting and lightweight baselines, and that replaying its diagnostic signals consistently recovers originally failed runs under matched budgets. Our code and data are publicly available.

Tool-augmented LLM agents tend to call tools indiscriminately, even when the model can answer directly. Each unnecessary call wastes API fees and latency, yet no existing benchmark systematically studies when a tool call is actually needed. We propose When2Tool, a benchmark of 18 environments (15 single-hop, 3 multi-hop) spanning three categories of tool necessity -- computational scale, knowledge boundaries, and execution reliability -- each with controlled difficulty levels that create a clear decision boundary between tool-necessary and tool-unnecessary tasks. We evaluate two families of training-free baselines: Prompt-only (varying the prompt to discourage unnecessary calls) and Reason-then-Act (requiring the model to reason about tool necessity before acting). Both provide limited control: Prompt-only suppresses necessary calls alongside unnecessary ones, and Reason-then-Act still incurs a disproportionate accuracy cost on hard tasks. To understand why these baselines fail, we probe the models' hidden states and find that tool necessity is linearly decodable from the pre-generation representation with AUROC 0.89--0.96 across six models, substantially exceeding the model's own verbalized reasoning. This reveals that models already know when tools are needed, but fail to act on this knowledge during generation. Building on this finding, we propose Probe&Prefill, which uses a lightweight linear probe to read the hidden-state signal and prefills the model's response with a steering sentence. Across all models tested, Probe&Prefill reduces tool calls by 48% with only 1.7% accuracy loss, while the best baseline at comparable accuracy only reduces 6% of tool calls, or achieves a similar tool call reduction but incurs a 5times higher accuracy loss. Our code is available at https://github.com/Trustworthy-ML-Lab/when2tool

Most existing pre-trained language models for source code focus on learning the static code text, typically augmented with static code structures (abstract syntax tree, dependency graphs, etc.). However, program semantics will not be fully exposed before the real execution. Without an understanding of the program execution, statically pre-trained models fail to comprehensively capture the dynamic code properties, such as the branch coverage and the runtime variable values, and they are consequently less effective at code understanding tasks, such as retrieving semantic clones and detecting software vulnerabilities. To close the gap between the static nature of language models and the dynamic characteristics of programs, we introduce TRACED, an execution-aware pre-training strategy for source code. Specifically, we pre-train code language models with a combination of source code, executable inputs, and corresponding execution traces. Our goal is to teach code models the complicated execution logic during the pre-training, enabling the model to statically estimate the dynamic code properties without repeatedly executing code during task-specific fine-tuning. To illustrate the effectiveness of our proposed approach, we fine-tune and evaluate TRACED on three downstream tasks: static execution estimation, clone retrieval, and vulnerability detection. The empirical results show that TRACED relatively improves the statically pre-trained code models by 12.4% for complete execution path prediction and by 25.2% for runtime variable value predictions. TRACED also significantly outperforms statically pre-trained models in clone retrieval and vulnerability detection across four public benchmarks.

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

Skill-distillation pipelines learn reusable rules from LLM agent trajectories, but they lack a key signal: how much each step costs. Without per-step cost, a pipeline cannot distinguish adding a missing step to fix a bug from removing an expensive step that never affected the outcome. We introduce ClawTrace, an agent tracing platform that records every LLM call, tool use, and sub-agent spawn during an agent session and compiles each session into a TraceCard: a compact YAML summary with per-step USD cost, token counts, and redundancy flags. Built on ClawTrace, CostCraft is a distillation pipeline that reads TraceCards and produces three types of skill patches. Preserve patches keep behaviors that led to success. Prune patches remove expensive steps that did not matter, each backed by a counterfactual argument against a named high-cost step. Repair patches fix failures grounded in oracle evidence. Ablations on 30 held-out SpreadsheetBench tasks show that both cost attribution and prune patches independently reduce quality regressions. When the same skill is applied to 30 unrelated SkillsBench tasks, an unexpected asymmetry emerges: prune rules transferred across benchmarks and cut median cost by 32%, while preserve rules, trained on benchmark-specific conventions, caused regressions on new task types. We release ClawTrace and TraceCards as open infrastructure for cost-aware agent research.

The ability to use tools is fundamental for large language model (LLM) agents. Given a task, existing systems use LLMs to plan and generate tool calls, which are executed by real-world tools to complete the task. However, tool calls are prone to errors because they are derived merely from LLM intrinsic capabilities. What is more, while it is useful to let LLMs iteratively refine the tool-call sequence using execution results from real tools, this process can be expensive and lead to unsafe results. To improve LLM tool calls and address issues caused by using real tools for refinement, we introduce Gecko, a comprehensive environment that simulates tool responses using a combination of rules and LLMs. Specifically, Gecko checks the validity of tool calls including input arguments and tool names, synthesizes reasonable responses that adhere to the output schema, and assesses whether all task objectives have been achieved. These three types of feedback provided by Gecko allow LLMs to refine their tool calls, forming a simple yet effective test-time scaling method named GATS. On BFCLv3 and τ^2-bench, GATS consistently improves the tool calling performance of various LLMs including GPT-4o, GPT-5, and Gemini-3.0-pro. We further discuss working mechanisms of our method and share future possibilities.

Interactive LLM agents are becoming part of daily work, but they do not reliably become easier to work with over time: a correction remembered in one session may still be violated in the next. We study this gap between preference access and preference compliance. In tasks derived from anonymized real-user friction cases, Mem0 memory still leaves 57.5% of applicable preference checks violated. We introduce Test-time Rule Acquisition and Compiled Enforcement (TRACE), a drop-in skill-layer pipeline for coding-agent runtimes that mines user corrections, rewrites them as atomic rules, and compiles them into runtime checks that must pass before an agent completes future tasks. Unlike runtime checks written ahead of time by developers, TRACE skills come from the user's own chat corrections. We evaluate TRACE with simulated user-in-the-loop experiments on ClawArena coding-agent tasks and MemoryArena-derived memory-intensive tasks. On ClawArena, TRACE reduces held-out preference violation from 100.0% to 37.6% on in-distribution tasks and from 100.0% to 2.0% on out-of-distribution tasks. On MemoryArena-derived tasks, TRACE reduces in-distribution violation from 100.0% to 60.5% while matching or exceeding the strongest memory baseline on task pass. These results suggest that compiling corrections into runtime enforcement can address a repeated-friction failure mode that memory alone does not reliably solve, reducing the need for users to restate the same correction across future sessions. Experiment code is available at https://github.com/YujunZhou/TRACE_exp, and the deployable skill is available at https://github.com/YujunZhou/tellonce.

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

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

Large Language Models (LLMs) often generate code with subtle but critical bugs, especially for complex tasks. Existing automated repair methods typically rely on superficial pass/fail signals, offering limited visibility into program behavior and hindering precise error localization. In addition, without a way to learn from prior failures, repair processes often fall into repetitive and inefficient cycles. To overcome these challenges, we present TraceCoder, a collaborative multi-agent framework that emulates the observe-analyze-repair process of human experts. The framework first instruments the code with diagnostic probes to capture fine-grained runtime traces, enabling deep insight into its internal execution. It then conducts causal analysis on these traces to accurately identify the root cause of the failure. This process is further enhanced by a novel Historical Lesson Learning Mechanism (HLLM), which distills insights from prior failed repair attempts to inform subsequent correction strategies and prevent recurrence of similar mistakes. To ensure stable convergence, a Rollback Mechanism enforces that each repair iteration constitutes a strict improvement toward the correct solution. Comprehensive experiments across multiple benchmarks show that TraceCoder achieves up to a 34.43\% relative improvement in Pass@1 accuracy over existing advanced baselines. Ablation studies verify the significance of each system component, with the iterative repair process alone contributing a 65.61\% relative gain in accuracy. Furthermore, TraceCoder significantly outperforms leading iterative methods in terms of both accuracy and cost-efficiency.

Tool-calling is a central component of modern large language model (LLM) agents, equipping them with skills beyond their parametric knowledge. This paper studies tool-calling along two complementary axes: effectiveness, i.e., how this capability is measured, and efficiency, i.e., how it is learned. On effectiveness, we systematically analyze tool-calling evaluation pipelines and show that results can be highly sensitive to seemingly minor, often undocumented implementation choices including the random seed, system prompt, multi-turn template construction, and how prior interaction/reasoning history is carried forward. These choices can lead to substantial differences in reported performance, especially in multi-turn settings where without rigorous standardization, leaderboard rankings are unreliable. On efficiency, we examine standard reinforcement learning (RL) for tool-calling and identify two sources of computational waste: (i) during rollouts, many prompts produce no learning signal, and (ii) during policy updates, optimization incurs high computational cost. Guided by these findings, we introduce two techniques that accelerate RL-based tool-calling training, achieving substantial wall-clock speedup without degrading performance.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

Tool-use capability is a fundamental component of LLM agents, enabling them to interact with external systems through structured function calls. However, existing research exhibits inconsistent interaction representations, largely overlooks the structural distribution of tool-use trajectories, and relies on incompatible evaluation benchmarks. We present UniToolCall, a unified framework for tool learning that standardizes the entire pipeline from toolset construction and dataset generation to evaluation. The framework curates a large tool pool of 22k+ tools and constructs a hybrid training corpus of 390k+ instances by combining 10 standardized public datasets with structurally controlled synthetic trajectories. It explicitly models diverse interaction patterns, including single-hop vs. multi-hop and single-turn vs. multi-turn, while capturing both serial and parallel execution structures. To support coherent multi-turn reasoning, we further introduce an Anchor Linkage mechanism that enforces cross-turn dependencies. Furthermore, we convert 7 public benchmarks into a unified Query--Action--Observation--Answer (QAOA) representation with fine-grained evaluation at the function-call, turn, and conversation levels. Experiments show that fine-tuning Qwen3-8B on our dataset substantially improves tool-use performance. Under the distractor-heavy Hybrid-20 setting, achieves 93.0% single-turn Strict Precision, outperforming commercial models including GPT, Gemini, and Claude.

Smart contracts, self-executing programs on the blockchain, facilitate reliable value exchanges without centralized oversight. Despite the recent focus on dynamic analysis of their transaction histories in both industry and academia, no open-source tool currently offers comprehensive tracking of complete transaction information to extract user-desired data such as invariant-related data. This paper introduces OpenTracer, designed to address this gap. OpenTracer guarantees comprehensive tracking of every execution step, providing complete transaction information. OpenTracer has been employed to analyze 350,800 Ethereum transactions, successfully inferring 23 different types of invariant from predefined templates. The tool is fully open-sourced, serving as a valuable resource for developers and researchers aiming to study transaction behaviors or extract and validate new invariants from transaction traces. The source code of OpenTracer is available at https://github.com/jeffchen006/OpenTracer.

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 .

Tool calling is a critical capability that allows Large Language Models (LLMs) to interact with external systems, significantly expanding their utility. However, research and resources for tool calling are predominantly English-centric, leaving a gap in our understanding of how to enable this functionality for other languages, such as Arabic. This paper investigates three key research questions: (1) the necessity of in-language (Arabic) tool-calling data versus relying on cross-lingual transfer, (2) the effect of general-purpose instruction tuning on tool-calling performance, and (3) the value of fine-tuning on specific, high-priority tools. To address these questions, we conduct extensive experiments using base and post-trained variants of an open-weight Arabic LLM. To enable this study, we bridge the resource gap by translating and adapting two open-source tool-calling datasets into Arabic. Our findings provide crucial insights into the optimal strategies for developing robust tool-augmented agents for Arabic.

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

Applied Behavior Analysis (ABA) is a clinical discipline whose documentation, teaching programs and multi-session behavioral logs, is formulaic and high-volume, yet real session data is HIPAA-protected and bound by professional confidentiality rules, blocking the release of a training corpus. We present TRACE (Taxonomy-Referenced ABA Clinical Examples), a 2,999-example synthetic instruction-tuning dataset covering two ABA tasks: teaching-program generation across Discrete Trial Training, Natural Environment Teaching, and Task Analysis; and multi-session behavioral interpretation across twelve trajectory patterns and thirteen target behaviors. Every example is produced by a deterministic taxonomy-driven generator grounded in the canonical ABA literature, and every example carries complete sampling provenance, the exact taxonomy cells that produced it. The dataset is released under CC BY-NC 4.0 for data and MIT for code, with stratified train (2,549), validation (149), test (281), and sanity (20) splits. TRACE is a research artifact and has not been clinically validated.

Large Language Models (LLMs) currently struggle with tool invocation and chaining, as they often hallucinate or miss essential steps in a sequence. We propose RE-GAINS and EnChAnT, two novel frameworks that empower LLMs to tackle complex user queries by making API calls to external tools based on tool descriptions and argument lists. Tools are chained based on the expected output, without receiving the actual results from each individual call. EnChAnT, an open-source solution, leverages an LLM format enforcer, OpenChat 3.5 (an LLM), and ToolBench's API Retriever. RE-GAINS utilizes OpenAI models and embeddings with a specialized prompt based on the Reasoning via Planning (RAP) framework. Both frameworks are low cost (0.01\$ per query). Our key contribution is enabling LLMs for tool invocation and chaining using modifiable, externally described tools.

As programmers write code, they often edit and retry multiple times, creating rich "interaction traces" that reveal how they approach coding tasks and provide clues about their level of skill development. For novice programmers in particular, these traces reflect the diverse reasoning processes they employ to code, such as exploratory behavior to understand how a programming concept works, re-strategizing in response to bugs, and personalizing stylistic choices. In this work, we explore what can be learned from training language models on such reasoning traces: not just about code, but about coders, and particularly students learning to program. We introduce a dataset of over 3.8 million programming reasoning traces from users of Pencil Code, a free online educational platform used by students to learn simple programming concepts. Compared to models trained only on final programs or synthetically-generated traces, we find that models trained on real traces are stronger at modeling diverse student behavior. Through both behavioral and probing analyses, we also find that many properties of code traces, such as goal backtracking or number of comments, can be predicted from learned representations of the students who write them. Building on this result, we show that we can help students recover from mistakes by steering code generation models to identify a sequence of edits that will results in more correct code while remaining close to the original student's style. Together, our results suggest that many properties of code are properties of individual students and that training on edit traces can lead to models that are more steerable, more predictive of student behavior while programming, and better at generating programs in their final states. Code and data is available at https://github.com/meghabyte/pencilcode-public

Large Language Models (LLMs) have shown remarkable capabilities in tool calling and tool usage, but suffer from hallucinations where they choose incorrect tools, provide malformed parameters and exhibit 'tool bypass' behavior by performing simulations and generating outputs instead of invoking specialized tools or external systems. This undermines the reliability of LLM based agents in production systems as it leads to inconsistent results, and bypasses security and audit controls. Such hallucinations in agent tool selection require early detection and error handling. Unlike existing hallucination detection methods that require multiple forward passes or external validation, we present a computationally efficient framework that detects tool-calling hallucinations in real-time by leveraging LLMs' internal representations during the same forward pass used for generation. We evaluate this approach on reasoning tasks across multiple domains, demonstrating strong detection performance (up to 86.4\% accuracy) while maintaining real-time inference capabilities with minimal computational overhead, particularly excelling at detecting parameter-level hallucinations and inappropriate tool selections, critical for reliable agent deployment.

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.

Large Language Models (LLMs) deployed in agentic environments must exercise multiple capabilities across different task instances, where a capability is performing one or more actions in a trajectory that are necessary for successfully solving a subset of tasks in the environment. Many existing approaches either rely on synthetic training data that is not targeted to the model's actual capability deficits in the target environment or train directly on the target environment, where the model needs to implicitly learn the capabilities across tasks. We introduce TRACE (Turning Recurrent Agent failures into Capability-targeted training Environments), an end-to-end system for environment-specific agent self-improvement. TRACE contrasts successful and failed trajectories to automatically identify lacking capabilities, synthesizes a targeted training environment for each that rewards whether the capability was exercised, and trains a LoRA adapter via RL on each synthetic environment, routing to the relevant adapter at inference. Empirically, TRACE generalizes across different environments, improving over the base agent by +14.1 points on τ^2-bench (customer service) and +7 perfect scores on ToolSandbox (tool use), outperforming the strongest baseline by +7.4 points and +4 perfect scores, respectively. Given the same number of rollouts, TRACE scales more efficiently than baselines, outperforming GRPO and GEPA by +9.2 and +7.4 points on τ^2-bench.

Tool calling allows large language models (LLMs) to interact with external systems like APIs, enabling applications in customer support, data analysis, and dynamic content generation. While recent benchmarks have advanced tool-use research, they suffer from key limitations, including reliance on simulated or restricted APIs, limited reproducibility, and a lack of cultural and geographic diversity. To address these gaps, we introduce International Tool Calling (ITC), a large-scale, multilingual benchmark designed for realistic, globally distributed tool-calling scenarios. ITC includes 3,571 real APIs and 17,540 tool calling tasks across 20 categories and 40 countries. Experiments reveal substantial performance gaps between open- and closed-source LLMs, while fine-tuning on ITC yields significant improvements, particularly for non-English queries, enhancing cross-lingual generalization, reasoning consistency, and robustness to out-of-domain tools. ITC provides a valuable benchmark for advancing LLM robustness and performance in complex, multi-tool, and international scenarios. Dataset: https://anonymous.4open.science/r/International-Tool-Calling-ITC-dataset-FAF4/.

Software requirements traceability is a critical component of the software engineering process, enabling activities such as requirements validation, compliance verification, and safety assurance. However, the cost and effort of manually creating a complete set of trace links across natural language artifacts such as requirements, design, and test-cases can be prohibitively expensive. Researchers have therefore proposed automated link-generation solutions primarily based on information-retrieval (IR) techniques; however, these solutions have failed to deliver the accuracy needed for full adoption in industrial projects. Improvements can be achieved using deep-learning traceability models; however, their efficacy is impeded by the limited size and availability of project-level artifacts and links to serve as training data. In this paper, we address this problem by proposing and evaluating several deep-learning approaches for text-to-text traceability. Our method, named NLTrace, explores three transfer learning strategies that use datasets mined from open world platforms. Through pretraining Language Models (LMs) and leveraging adjacent tracing tasks, we demonstrate that NLTrace can significantly improve the performance of LM based trace models when training links are available. In such scenarios NLTrace outperforms the best performing classical IR method with an 188% improvement in F2 score and 94.01% in Mean Average Precision (MAP). It also outperforms the general LM based trace model by 7% and 23% for F2 and MAP respectively. In addition, NLTrace can adapt to low-resource tracing scenarios where other LM models can not. The knowledge learned from adjacent tasks enables NLTrace to outperform VSM models by 28% F2 on generation challenges when presented with a small number of training examples.

Large language models (LLMs) can now access a wide range of external tools, thanks to the Model Context Protocol (MCP). This greatly expands their abilities as various agents. However, LLMs rely entirely on the text descriptions of tools to decide which ones to use--a process that is surprisingly fragile. In this work, we expose a vulnerability in prevalent tool/function-calling protocols by investigating a series of edits to tool descriptions, some of which can drastically increase a tool's usage from LLMs when competing with alternatives. Through controlled experiments, we show that tools with properly edited descriptions receive over 10 times more usage from GPT-4.1 and Qwen2.5-7B than tools with original descriptions. We further evaluate how various edits to tool descriptions perform when competing directly with one another and how these trends generalize or differ across a broader set of 10 different models. These phenomenons, while giving developers a powerful way to promote their tools, underscore the need for a more reliable foundation for agentic LLMs to select and utilize tools and resources.

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

Tool 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.

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.

Tool learning aims to enhance and expand large language models' (LLMs) capabilities with external tools, which has gained significant attention recently. Current methods have shown that LLMs can effectively handle a certain amount of tools through in-context learning or fine-tuning. However, in real-world scenarios, the number of tools is typically extensive and irregularly updated, emphasizing the necessity for a dedicated tool retrieval component. Tool retrieval is nontrivial due to the following challenges: 1) complex user instructions and tool descriptions; 2) misalignment between tool retrieval and tool usage models. To address the above issues, we propose to enhance tool retrieval with iterative feedback from the large language model. Specifically, we prompt the tool usage model, i.e., the LLM, to provide feedback for the tool retriever model in multi-round, which could progressively improve the tool retriever's understanding of instructions and tools and reduce the gap between the two standalone components. We build a unified and comprehensive benchmark to evaluate tool retrieval models. The extensive experiments indicate that our proposed approach achieves advanced performance in both in-domain evaluation and out-of-domain evaluation.

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.

Clinical image interpretation is inherently multi-step and tool-centric: clinicians iteratively combine visual evidence with patient context, quantify findings, and refine their decisions through a sequence of specialized procedures. While LLM-based agents promise to orchestrate such heterogeneous medical tools, existing systems treat tool sets and invocation strategies as static after deployment. This design is brittle under real-world domain shifts, across tasks, and evolving diagnostic requirements, where predefined tool chains frequently degrade and demand costly manual re-design. We propose MACRO, a self-evolving, experience-augmented medical agent that shifts from static tool composition to experience-driven tool discovery. From verified execution trajectories, the agent autonomously identifies recurring effective multi-step tool sequences, synthesizes them into reusable composite tools, and registers these as new high-level primitives that continuously expand its behavioral repertoire. A lightweight image-feature memory grounds tool selection in a visual-clinical context, while a GRPO-like training loop reinforces reliable invocation of discovered composites, enabling closed-loop self-improvement with minimal supervision. Extensive experiments across diverse medical imaging datasets and tasks demonstrate that autonomous composite tool discovery consistently improves multi-step orchestration accuracy and cross-domain generalization over strong baselines and recent state-of-the-art agentic methods, bridging the gap between brittle static tool use and adaptive, context-aware clinical AI assistance. Code will be available upon acceptance.

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

Tool Calling and Structured Output are two core capabilities of modern Agent systems, yet their interaction under joint deployment conditions remains insufficiently understood. This paper reports a reproducible phenomenon observed in a production Agent system: when Tool Calling and JSON Schema constraints are simultaneously enabled, multiple open-weight models cease invoking tools despite maintaining high schema compliance. We refer to this behavior as Tool Suppression. Through controlled experiments across multiple model families and deployment settings, we consistently reproduce Tool Suppression under joint constraints, while tool execution and schema compliance remain functional when evaluated independently. Further analysis reveals that JSON Schema constraints are compiled into grammar-based token masks, causing tool-call tokens to become unreachable during decoding. This provides an implementation-level explanation for the observed behavior. To interpret the phenomenon, we formulate the Constraint Priority Inversion (CPI) hypothesis, which suggests that schema satisfaction may dominate action-selection behavior under multiple simultaneous constraints. We present CPI as a behavioral hypothesis consistent with the observed evidence rather than a verified internal mechanism. To mitigate the problem, we propose Transparent Two-Pass Execution, an inference-time strategy that decouples tool execution from schema-constrained response generation. Experimental results show that this approach restores tool invocation while preserving structured output guarantees without requiring model retraining. These findings suggest that evaluating tool use and structured output separately may overlook important reliability issues in production Agent systems. Code, data, and docs will be released at https://github.com/Fzsama/Constrain-Tax-26-06.git.

Tool learning enables Large Language Models (LLMs) to interact with external environments by invoking tools, serving as an effective strategy to mitigate the limitations inherent in their pre-training data. In this process, tool documentation plays a crucial role by providing usage instructions for LLMs, thereby facilitating effective tool utilization. This paper concentrates on the critical challenge of bridging the comprehension gap between LLMs and external tools due to the inadequacies and inaccuracies inherent in existing human-centric tool documentation. We propose a novel framework, DRAFT, aimed at Dynamically Refining tool documentation through the Analysis of Feedback and Trails emanating from LLMs' interactions with external tools. This methodology pivots on an innovative trial-and-error approach, consisting of three distinct learning phases: experience gathering, learning from experience, and documentation rewriting, to iteratively enhance the tool documentation. This process is further optimized by implementing a diversity-promoting exploration strategy to ensure explorative diversity and a tool-adaptive termination mechanism to prevent overfitting while enhancing efficiency. Extensive experiments on multiple datasets demonstrate that DRAFT's iterative, feedback-based refinement significantly ameliorates documentation quality, fostering a deeper comprehension and more effective utilization of tools by LLMs. Notably, our analysis reveals that the tool documentation refined via our approach demonstrates robust cross-model generalization capabilities.

LLM-based agents are rapidly being adopted across diverse domains. Since they interact with users without supervision, they must be tested extensively. Current testing approaches focus on acceptance-level evaluation from the user's perspective. While intuitive, these tests require manual evaluation, are difficult to automate, do not facilitate root cause analysis, and incur expensive test environments. In this paper, we present methods to enable structural testing of LLM-based agents. Our approach utilizes traces (based on OpenTelemetry) to capture agent trajectories, employs mocking to enforce reproducible LLM behavior, and adds assertions to automate test verification. This enables testing agent components and interactions at a deeper technical level within automated workflows. We demonstrate how structural testing enables the adaptation of software engineering best practices to agents, including the test automation pyramid, regression testing, test-driven development, and multi-language testing. In representative case studies, we demonstrate automated execution and faster root-cause analysis. Collectively, these methods reduce testing costs and improve agent quality through higher coverage, reusability, and earlier defect detection. We provide an open source reference implementation on GitHub.

Large language models (LLMs) increasingly act as autonomous agents that must decide when to answer directly vs. when to invoke external tools. Prior work studying adaptive tool use has largely treated tool necessity as a model-agnostic property, annotated by human or LLM judge, and mostly cover cases where the answer is obvious (e.g., fetching the weather vs. paraphrasing text). However, tool necessity in the wild is more nuanced due to the divergence of capability boundaries across models: a problem solvable by a strong model on its own may still require tools for a weaker one. In this work, we introduce a model-adaptive definition of tool-necessity, grounded in each model's empirical performance. Following this definition, we compare the necessity against observed tool-call behavior across four models on arithmetic and factual QA dataset, and find substantial mismatches of 26.5-54.0% and 30.8-41.8%, respectively. To diagnose the failure, we decompose tool use into two stages: an internal cognition stage that reflects whether a model believes a tool is necessary, and an execution stage that determines whether the model actually makes a tool-call action. By probing the LLM hidden states, we find that both signals are often linearly decodable, yet their probe directions become nearly orthogonal in the late-layer, last-token regime that drives the next-token action. By tracing the trajectory of samples in the two-stage process, we further discover that the majority of mismatch is concentrated in the cognition-to-action transition, not in cognition itself. These results reveal a knowing-doing gap in LLM tool-use: improving tool-use reliability requires not only better recognition of when tools are needed, but also better translation of that recognition into action.

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

The Model Context Protocol (MCP) has rapidly emerged as a universal standard for connecting AI assistants to external tools and data sources. While MCP simplifies integration between AI applications and various services, it introduces significant security vulnerabilities, particularly on the client side. In this work we conduct threat modelings of MCP implementations using STRIDE (Spoofing, Tampering, Repudiation, Information Disclosure, Denial of Service, Elevation of Privilege) and DREAD (Damage, Reproducibility, Exploitability, Affected Users, Discoverability) frameworks across five key components: (1) MCP Host and Client, (2) LLM, (3) MCP Server, (4) External Data Stores, and (5) Authorization Server. This comprehensive analysis reveals tool poisoning-where malicious instructions are embedded in tool metadata-as the most prevalent and impactful client-side vulnerability. We therefore focus our empirical evaluation on this critical attack vector, providing a systematic comparison of how seven major MCP clients validate and defend against tool poisoning attacks. Our analysis reveals significant security issues with most tested clients due to insufficient static validation and parameter visibility. We propose a multi-layered defense strategy encompassing static metadata analysis, model decision path tracking, behavioral anomaly detection, and user transparency mechanisms. This research addresses a critical gap in MCP security, which has primarily focused on server-side vulnerabilities, and provides actionable recommendations and mitigation strategies for securing AI agent ecosystems.

Tool calling has become increasingly popular for Large Language Models (LLMs). However, for large tool sets, the resulting tokens would exceed the LLM's context window limit, making it impossible to include every tool. Hence, an external retriever is used to provide LLMs with the most relevant tools for a query. Existing retrieval models rank tools based on the similarity between a user query and a tool description (TD). This leads to suboptimal retrieval as user requests are often poorly aligned with the language of TD. To remedy the issue, we propose ToolDreamer, a framework to condition retriever models to fetch tools based on hypothetical (synthetic) TD generated using an LLM, i.e., description of tools that the LLM feels will be potentially useful for the query. The framework enables a more natural alignment between queries and tools within the language space of TD's. We apply ToolDreamer on the ToolRet dataset and show that our method improves the performance of sparse and dense retrievers with and without training, thus showcasing its flexibility. Through our proposed framework, our aim is to offload a portion of the reasoning burden to the retriever so that the LLM may effectively handle a large collection of tools without inundating its context window.

In recent years, trace generation has emerged as a significant challenge within the Process Mining community. Deep Learning (DL) models have demonstrated accuracy in reproducing the features of the selected processes. However, current DL generative models are limited in their ability to adapt the learned distributions to generate data samples based on specific conditions or attributes. This limitation is particularly significant because the ability to control the type of generated data can be beneficial in various contexts, enabling a focus on specific behaviours, exploration of infrequent patterns, or simulation of alternative 'what-if' scenarios. In this work, we address this challenge by introducing a conditional model for process data generation based on a conditional variational autoencoder (CVAE). Conditional models offer control over the generation process by tuning input conditional variables, enabling more targeted and controlled data generation. Unlike other domains, CVAE for process mining faces specific challenges due to the multiperspective nature of the data and the need to adhere to control-flow rules while ensuring data variability. Specifically, we focus on generating process executions conditioned on control flow and temporal features of the trace, allowing us to produce traces for specific, identified sub-processes. The generated traces are then evaluated using common metrics for generative model assessment, along with additional metrics to evaluate the quality of the conditional generation

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.

Large language model (LLM)-based agents have shown strong capabilities in using external tools to solve complex tasks. However, existing evaluations often overlook the temporal dimension of tool use, especially the impact of tool response latency, and are usually limited to single-task settings. In real-world applications, multiple tasks often need to be executed concurrently, and overall efficiency depends on whether an agent can use idle time while waiting for tool responses. We refer to this capability as asynchronous tool calling. To evaluate it, we propose AsyncTool, a benchmark for assessing LLM-based agents in interactive multi-task tool-use environments with delayed tool feedback. AsyncTool presents multiple heterogeneous tasks simultaneously and simulates realistic tool response latency during execution. Using a hybrid data evolution strategy, we construct a diverse asynchronous multitasking dataset that covers multiple scenarios and tool-use patterns. We evaluate models at the step, sub-task, and task levels, and introduce efficiency-oriented metrics to measure task coordination and completion efficiency. Extensive experiments show that delayed tool feedback poses substantial challenges to current agents and leads to clear performance degradation. Models that better coordinate task switching, dependency tracking, and state maintenance achieve stronger performance on AsyncTool. Our analysis identifies key failure modes of current tool-using agents and provides practical insights for designing future systems with stronger temporal reasoning and coordination capabilities.

Modern LLM agents combine long-term memory for personalization with tool-calling interfaces for taking actions in the world -- a combination underpinning contemporary production systems. We study a previously unexamined failure of this combination: when personality-driven biases stored in memory (cost-consciousness, impatience, risk tolerance, etc.) silently affect tool calls in contexts where they are not applicable. We call this memory-induced tool-drift and operationalize it through MEMDRIFT, a benchmark of 105 scenarios spanning five bias dimensions and seven professional domains, generated through an automated adversarial pipeline. Across seven frontier models -- including those with extended reasoning -- biased memories raise deflection scores (a judge-scored measure of parameter deviation from unbiased baselines) by up to +3.6 points on a 1--5 scale. Tool-drift persists when memory management is handled by three production memory architectures. The phenomenon affects real-world tools: scanning 6{,}062 tools across 288 verified MCP servers, we flag 608 with susceptible parameters and confirm tool-drift on a validated subset. Mechanistically, biased memories act as implicit steering vectors, pushing activations along the same latent directions as explicit behavioral instructions. They also redistribute attention from task-relevant context toward memory entries with surface-level keyword overlap to the target parameter. Standard defenses -- prompt-based relevance instructions and memory filters -- reduce drift but do not eliminate it. As agents take increasingly consequential actions on a user's behalf, memory-induced tool-drift represents a systematic vulnerability that current safeguards do not address, motivating dedicated defenses at the intersection of memory management and tool-call generation.

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.

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}.

Smart contract transactions associated with security attacks often exhibit distinct behavioral patterns compared with historical benign transactions before the attacking events. While many runtime monitoring and guarding mechanisms have been proposed to validate invariants and stop anomalous transactions on the fly, the empirical effectiveness of the invariants used remains largely unexplored. In this paper, we studied 23 prevalent invariants of 8 categories, which are either deployed in high-profile protocols or endorsed by leading auditing firms and security experts. Using these well-established invariants as templates, we developed a tool Trace2Inv which dynamically generates new invariants customized for a given contract based on its historical transaction data. We evaluated Trace2Inv on 42 smart contracts that fell victim to 27 distinct exploits on the Ethereum blockchain. Our findings reveal that the most effective invariant guard alone can successfully block 18 of the 27 identified exploits with minimal gas overhead. Our analysis also shows that most of the invariants remain effective even when the experienced attackers attempt to bypass them. Additionally, we studied the possibility of combining multiple invariant guards, resulting in blocking up to 23 of the 27 benchmark exploits and achieving false positive rates as low as 0.32%. Trace2Inv outperforms current state-of-the-art works on smart contract invariant mining and transaction attack detection in terms of both practicality and accuracy. Though Trace2Inv is not primarily designed for transaction attack detection, it surprisingly found two previously unreported exploit transactions, earlier than any reported exploit transactions against the same victim contracts.

The increasing adoption of agentic workflows across diverse domains brings a critical need to scalably and systematically evaluate the complex traces these systems generate. Current evaluation methods depend on manual, domain-specific human analysis of lengthy workflow traces - an approach that does not scale with the growing complexity and volume of agentic outputs. Error analysis in these settings is further complicated by the interplay of external tool outputs and language model reasoning, making it more challenging than traditional software debugging. In this work, we (1) articulate the need for robust and dynamic evaluation methods for agentic workflow traces, (2) introduce a formal taxonomy of error types encountered in agentic systems, and (3) present a set of 148 large human-annotated traces (TRAIL) constructed using this taxonomy and grounded in established agentic benchmarks. To ensure ecological validity, we curate traces from both single and multi-agent systems, focusing on real-world applications such as software engineering and open-world information retrieval. Our evaluations reveal that modern long context LLMs perform poorly at trace debugging, with the best Gemini-2.5-pro model scoring a mere 11% on TRAIL. Our dataset and code are made publicly available to support and accelerate future research in scalable evaluation for agentic workflows.

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

MOLOT (Malicious Operational Logic Observation Transformer) is a static malicious-code detection system designed for SAST setup where package metadata, maintainer history, and dynamic execution traces may be unavailable or unreliable. The system represents source code as behavior sequences derived from static call graphs, includes an explanation stage that ranks suspicious behavior activities and maps them back to source-code locations. The approach is evaluated on Python and JavaScript packages from PyPI and npm, compared with opensource detection tools, and validated under product constraints including runtime, memory use, and false-positive rates observed in a real moderation workflow. We also release Open Malicious-Code Bench, a public benchmark for reproducible evaluation of malicious-package detection methods. The results show that static behavior-sequence modeling can provide accurate, explainable, and deployable malicious-code detection for modern DevSecOps workflows.

Large language model (LLM)-based coding assistants have made substantial progress, yet most systems remain reactive, requiring developers to explicitly formulate their needs. Proactive coding assistants aim to infer latent developer intent from integrated development environment (IDE) interactions and repository context, thereby reducing interaction overhead and supporting more seamless assistance. However, research in this direction is limited by the scarcity of large-scale real-world developer behavior data. Existing studies therefore often rely on LLM-simulated IDE traces, whose fidelity to real development behavior remains unclear. In this paper, we investigate this simulation-to-reality gap through a large-scale empirical study. We collect real IDE interaction traces from 1{,}246 experienced industry developers over three consecutive days using a custom Visual Studio Code extension, and construct paired LLM-simulated traces for controlled comparison. Our analysis shows that simulated traces differ substantially from real traces in behavioral diversity, temporal structure, and exploratory patterns. Based on the collected data, we introduce ProCodeBench, a real-world benchmark for proactive intent prediction. Experiments with representative LLMs, retrieval-augmented methods, and agentic baselines show that current approaches remain far from reliable under real IDE traces, suggesting that simulation-based evaluation can overestimate real-world performance. Finally, our training study shows that simulated data cannot replace real data, but can complement it when used before real-world fine-tuning. These findings highlight the importance of real developer behavior data for evaluating and training proactive coding assistants.

We study auto research as a closed empirical loop driven by external measurement. Each submitted trial carries a hypothesis, an executable code edit, an evaluator-owned outcome, and feedback that shapes the next proposal. The output is not a generated paper or a single model checkpoint, but an auditable trajectory of proposals, code diffs, experiments, scores, and failure labels. We instantiate this loop with specialist agents that partition recipe surfaces and share measured lineage across trials. The central empirical finding is that lineage feedback lets agents turn evaluator outcomes, including crashes, budget overruns, size failures, and accuracy-gate misses, into later program-level recipe edits rather than one-shot suggestions. Across 1,197 headline-run trials plus 600 Parameter Golf control trials after one-time setup and launch, humans did not choose proposals, edit recipes, override scores, or repair failed trials during the search. In the three headline runs, the same submitted-trial loop reduces Parameter Golf validation bpb by 0.81%, raises NanoChat-D12 CORE by 38.7%, and reduces CIFAR-10 Airbench96 wallclock by 4.59%, with each task measured by its own external evaluator and legality checks. The trace includes a strict architecture-domain audit of 157 headline-run submissions and program rewrites such as a NanoChat attention-kernel path change. Within this scope the loop autonomously writes code, submits experiments, absorbs feedback, applies and combines known techniques inside each environment, and improves public starting recipes.

As LLMs are increasingly used as judges in code applications, they should be evaluated in realistic interactive settings that capture partial context and ambiguous intent. We present TRACE (Tool for Rubric Analysis in Code Evaluation), a framework that evaluates LLM judges' ability to predict human preferences and automatically extracts rubric items to reveal systematic biases in how humans and models weigh each item. Across three modalities -- chat-based programming, IDE autocompletion, and instructed code editing -- we use TRACE to measure how well LLM judges align with developer preferences. Among 13 different models, the best judges underperform human annotators by 12-23%. TRACE identifies 35 significant sources of misalignment between humans and judges across interaction modalities, the majority of which correspond to existing software engineering code quality criteria. For example, in chat-based coding, judges are biased towards longer code explanations while humans prefer shorter ones. We find significant misalignment on the majority of existing code quality dimensions, showing alignment gaps between LLM judges and human preference in realistic coding applications.

Deep neural networks are vulnerable to adversarial attacks. In this paper, we take the role of investigators who want to trace the attack and identify the source, that is, the particular model which the adversarial examples are generated from. Techniques derived would aid forensic investigation of attack incidents and serve as deterrence to potential attacks. We consider the buyers-seller setting where a machine learning model is to be distributed to various buyers and each buyer receives a slightly different copy with same functionality. A malicious buyer generates adversarial examples from a particular copy M_i and uses them to attack other copies. From these adversarial examples, the investigator wants to identify the source M_i. To address this problem, we propose a two-stage separate-and-trace framework. The model separation stage generates multiple copies of a model for a same classification task. This process injects unique characteristics into each copy so that adversarial examples generated have distinct and traceable features. We give a parallel structure which embeds a ``tracer'' in each copy, and a noise-sensitive training loss to achieve this goal. The tracing stage takes in adversarial examples and a few candidate models, and identifies the likely source. Based on the unique features induced by the noise-sensitive loss function, we could effectively trace the potential adversarial copy by considering the output logits from each tracer. Empirical results show that it is possible to trace the origin of the adversarial example and the mechanism can be applied to a wide range of architectures and datasets.

Equipping Large Language Models (LLMs) with external tools enables them to solve complex real-world problems. However, the robustness of existing methods remains a critical challenge when confronting novel or evolving tools. Existing trajectory-centric paradigms primarily rely on memorizing static solution paths during training, which limits the ability of LLMs to generalize tool usage to newly introduced or previously unseen tools. In this paper, we propose ToolMaster, a framework that shifts tool use from imitating golden tool-calling trajectories to actively learning tool usage through interaction with the environment. To optimize LLMs for tool planning and invocation, ToolMaster adopts a trial-and-execution paradigm, which trains LLMs to first imitate teacher-generated trajectories containing explicit tool trials and self-correction, followed by reinforcement learning to coordinate the trial and execution phases jointly. This process enables agents to autonomously explore correct tool usage by actively interacting with environments and forming experiential knowledge that benefits tool execution. Experimental results demonstrate that ToolMaster significantly outperforms existing baselines in terms of generalization and robustness across unseen or unfamiliar tools. All code and data are available at https://github.com/NEUIR/ToolMaster.

Leveraging external tools is a key feature for modern Language Models (LMs) to expand their capabilities and integrate them into existing systems. However, existing benchmarks primarily focus on the accuracy of tool calling -- whether the correct tool is called with the correct parameters -- and less on evaluating when LMs should (not) call tools. We develop a new benchmark, When2Call, which evaluates tool-calling decision-making: when to generate a tool call, when to ask follow-up questions and when to admit the question can't be answered with the tools provided. We find that state-of-the-art tool-calling LMs show significant room for improvement on When2Call, indicating the importance of this benchmark. We also develop a training set for When2Call and leverage the multiple-choice nature of the benchmark to develop a preference optimization training regime, which shows considerably more improvement than traditional fine-tuning. We release the benchmark and training data as well as evaluation scripts at https://github.com/NVIDIA/When2Call.

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.

Coding agents repeatedly consume long tool observations even though only a small fraction of each observation matters for the next step. We study task-conditioned tool-output pruning: given a focused query and one tool output, return the smallest verbatim evidence block the agent should inspect next. We introduce a benchmark of 11,477 examples built from SWE-bench repository interactions and synthetic multi-ecosystem tool outputs, with a manually curated 618-example test set. We fine-tune Qwen 3.5 2B with LoRA and compare it against larger zero-shot models and heuristic pruning baselines. Our model reaches 0.86 recall and 0.80 F1 while removing 92% of input tokens, outperforming zero-shot Qwen 3.5 35B A3B by 11 recall points and all heuristic baselines by a wide margin.

Understanding the dynamic behavior of computer programs during normal working conditions is an important task, which has multiple security benefits such as the development of behavior-based anomaly detection, vulnerability discovery, and patching. Existing works achieved this goal by collecting and analyzing various data including network traffic, system calls, instruction traces, etc. In this paper, we explore the use of a new type of data, performance counters, to analyze the dynamic behavior of programs. Using existing primitives, we develop a tool named perfextract to capture data from different performance counters for a program during its startup time, thus forming multiple time series to represent the dynamic behavior of the program. We analyze the collected data and develop a semi-supervised clustering algorithm that allows us to classify each program using its performance counter time series into a specific group and to identify the intrinsic behavior of that group. We carry out extensive experiments with 18 real-world programs that belong to 4 groups including web browsers, text editors, image viewers, and audio players. The experimental results show that the examined programs can be accurately differentiated based on their performance counter data regardless of whether programs are run in physical or virtual environments.

Software reverse engineering is an essential task in software engineering and security, but it can be a challenging process, especially for adversarial artifacts. To address this challenge, we present STraceBERT, a novel approach that utilizes a Java dynamic analysis tool to record calls to core Java libraries, and pretrain a BERT-style model on the recorded application traces for effective method source code retrieval from a candidate set. Our experiments demonstrate the effectiveness of STraceBERT in retrieving the source code compared to existing approaches. Our proposed approach offers a promising solution to the problem of code retrieval in software reverse engineering and opens up new avenues for further research in this area.

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

Users often omit essential details in their requests to LLM-based agents, resulting in under-specified inputs for tool use. This poses a fundamental challenge for tool-augmented agents, as API execution typically requires complete arguments, highlighting the need for personalized tool calling. To study this problem, we introduce MPT, a benchmark comprising 265 multi-session dialogues that cover three challenges: Preference Recall, Preference Induction, and Preference Transfer. We also propose PRefine, a test-time memory-augmented method that represents user preferences as evolving hypotheses. Through a generate--verify--refine loop, it extracts reusable constraints from history and improves tool-calling accuracy while using only 1.24% of the tokens required by full-history prompting. These results indicate that robust personalization in agentic systems depends on memory that captures the reasons behind user choices, not just the choices themselves.

While enabling large language models to implement function calling (known as APIs) can greatly enhance the performance of LLMs, function calling is still a challenging task due to the complicated relations between different APIs, especially in a context-learning setting without fine-tuning. This paper proposes a simple yet controllable target-driven approach called Reverse Chain to empower LLMs with capabilities to use external APIs with only prompts. Given that most open-source LLMs have limited tool-use or tool-plan capabilities, LLMs in Reverse Chain are only employed to implement simple tasks, e.g., API selection and argument completion, and a generic rule is employed to implement a controllable multiple functions calling. In this generic rule, after selecting a final API to handle a given task via LLMs, we first ask LLMs to fill the required arguments from user query and context. Some missing arguments could be further completed by letting LLMs select another API based on API description before asking user. This process continues until a given task is completed. Extensive numerical experiments indicate an impressive capability of Reverse Chain on implementing multiple function calling. Interestingly enough, the experiments also reveal that tool-use capabilities of the existing LLMs, e.g., ChatGPT, can be greatly improved via Reverse Chain.

Tool-augmented large language models (LLMs) are increasingly employed in real-world applications, but tool usage errors still hinder their reliability. We introduce ToolCritic, a diagnostic framework that evaluates and improves LLM behavior in multi-turn, tool-augmented dialogues. ToolCritic detects eight distinct error types specific to tool-calling (e.g., premature invocation, argument misalignment, and misinterpretation of tool outputs) and provides targeted feedback to the main LLM. The main LLM, assumed to have strong reasoning, task understanding and orchestration capabilities, then revises its response based on ToolCritic's feedback. We systematically define these error categories and construct a synthetic dataset to train ToolCritic. Experimental results on the Schema-Guided Dialogue (SGD) dataset demonstrate that ToolCritic improves tool-calling accuracy by up to 13% over baselines, including zero-shot prompting and self-correction techniques. This represents a promising step toward more robust LLM integration with external tools in real-world dialogue applications.

Recent advances in reinforcement learning for code generation have made robust environments essential to prevent reward hacking. As LLMs increasingly serve as evaluators in code-based RL, their ability to detect reward hacking remains understudied. In this paper, we propose a novel taxonomy of reward exploits spanning across 54 categories and introduce TRACE (Testing Reward Anomalies in Code Environments), a synthetically curated and human-verified benchmark containing 517 testing trajectories. Unlike prior work that evaluates reward hack detection in isolated classification scenarios, we contrast these evaluations with a more realistic, contrastive anomaly detection setup on TRACE. Our experiments reveal that models capture reward hacks more effectively in contrastive settings than in isolated classification settings, with GPT-5.2 with highest reasoning mode achieving the best detection rate at 63%, up from 45% in isolated settings on TRACE. Building on this insight, we demonstrate that state-of-the-art models struggle significantly more with semantically contextualized reward hacks compared to syntactically contextualized ones. We further conduct qualitative analyses of model behaviors, as well as ablation studies showing that the ratio of benign to hacked trajectories and analysis cluster sizes substantially impact detection performance. We release the benchmark and evaluation harness to enable the community to expand TRACE and evaluate their models.

Recently, tool learning with large language models (LLMs) has emerged as a promising paradigm for augmenting the capabilities of LLMs to tackle highly complex problems. Despite growing attention and rapid advancements in this field, the existing literature remains fragmented and lacks systematic organization, posing barriers to entry for newcomers. This gap motivates us to conduct a comprehensive survey of existing works on tool learning with LLMs. In this survey, we focus on reviewing existing literature from the two primary aspects (1) why tool learning is beneficial and (2) how tool learning is implemented, enabling a comprehensive understanding of tool learning with LLMs. We first explore the "why" by reviewing both the benefits of tool integration and the inherent benefits of the tool learning paradigm from six specific aspects. In terms of "how", we systematically review the literature according to a taxonomy of four key stages in the tool learning workflow: task planning, tool selection, tool calling, and response generation. Additionally, we provide a detailed summary of existing benchmarks and evaluation methods, categorizing them according to their relevance to different stages. Finally, we discuss current challenges and outline potential future directions, aiming to inspire both researchers and industrial developers to further explore this emerging and promising area. We also maintain a GitHub repository to continually keep track of the relevant papers and resources in this rising area at https://github.com/quchangle1/LLM-Tool-Survey.

We release Terminal Wrench, a subset of 331 terminal-agent benchmark environments, copied from the popular open benchmarks that are demonstrably reward-hackable. The data set includes 3,632 hack trajectories and 2,352 legitimate baseline trajectories across three frontier models (Claude Opus 4.6, Gemini 3.1 Pro, GPT-5.4). Each entry preserves the original task definition alongside full attack trajectories that show how the verifier was bypassed. It also includes cases where the task was not solved as intended. The tasks span system administration, machine learning, software engineering, and security challenges; the exploits range from simple output spoofing to stack-frame introspection, standard-library patching, and rootkit-style binary hijacking. Crucially, these exploits are specific to each task, rather than the evaluation harness, making them harder to patch. We also present a monitorability study in which hack trajectories are sanitized or stripped of reasoning traces and then scored by an LLM judge, showing that detection degrades meaningfully when chain-of-thought is removed (AUC drops from 0.97 to 0.92). The data set is publicly available at https://github.com/few-sh/terminal-wrench.

Every call to an LLM classification endpoint produces a labeled input-output pair already retained in production logs. These pairs constitute a free, growing training set: a lightweight surrogate trained on them can absorb a significant portion of future traffic at near-zero marginal inference cost. The open questions are when the surrogate is reliable enough to deploy, what it handles versus defers, and how that boundary evolves as data accumulates. We introduce TRACER (Trace-based Adaptive Cost-Efficient Routing), an open-source system that trains ML surrogates on an LLM's own production traces and governs deployment through a parity gate: the surrogate is activated only when its agreement with the LLM exceeds a user-specified threshold α. To make the routing boundary transparent, TRACER generates interpretability artifacts describing which input regions the surrogate handles, where it plateaus, and why it defers. On a 77-class intent benchmark with a Sonnet 4.6 teacher, TRACER achieves 83-100% surrogate coverage depending on the quality target α; on a 150-class benchmark, the surrogate fully replaces the teacher. On a natural language inference task, the parity gate correctly refuses deployment because the embedding representation cannot support reliable separation. The system is available as open-source software.

Pretrained code language models have enabled great progress towards program synthesis. However, common approaches only consider in-file local context and thus miss information and constraints imposed by other parts of the codebase and its external dependencies. Existing code completion benchmarks also lack such context. To resolve these restrictions we curate a new dataset of permissively licensed Python packages that includes full projects and their dependencies and provide tools to extract non-local information with the help of program analyzers. We then focus on the task of function call argument completion which requires predicting the arguments to function calls. We show that existing code completion models do not yield good results on our completion task. To better solve this task, we query a program analyzer for information relevant to a given function call, and consider ways to provide the analyzer results to different code completion models during inference and training. Our experiments show that providing access to the function implementation and function usages greatly improves the argument completion performance. Our ablation study provides further insights on how different types of information available from the program analyzer and different ways of incorporating the information affect the model performance.

Personal AI agents like OpenClaw run with elevated privileges on users' local machines, where a single successful prompt injection can leak credentials, redirect financial transactions, or destroy files. This threat goes well beyond conventional text-level jailbreaks, yet existing safety evaluations fall short: most test models in isolated chat settings, rely on synthetic environments, and do not account for how the agent framework itself shapes safety outcomes. We introduce CLAWSAFETY, a benchmark of 120 adversarial test scenarios organized along three dimensions (harm domain, attack vector, and harmful action type) and grounded in realistic, high-privilege professional workspaces spanning software engineering, finance, healthcare, law, and DevOps. Each test case embeds adversarial content in one of three channels the agent encounters during normal work: workspace skill files, emails from trusted senders, and web pages. We evaluate five frontier LLMs as agent backbones, running 2,520 sandboxed trials across all configurations. Attack success rates (ASR) range from 40\% to 75\% across models and vary sharply by injection vector, with skill instructions (highest trust) consistently more dangerous than email or web content. Action-trace analysis reveals that the strongest model maintains hard boundaries against credential forwarding and destructive actions, while weaker models permit both. Cross-scaffold experiments on three agent frameworks further demonstrate that safety is not determined by the backbone model alone but depends on the full deployment stack, calling for safety evaluation that treats model and framework as joint variables. Code and data will be available at: https://weibowen555.github.io/ClawSafety/.

Despite impressive advances in agent systems, multi-turn tool-use scenarios remain challenging. It is mainly because intent is clarified progressively and the environment evolves with each tool call. While reusing past experience is natural, current LLM agents either treat entire trajectories or pre-defined subtasks as indivisible units, or solely exploit tool-to-tool dependencies, hindering adaptation as states and information evolve across turns. In this paper, we propose a State Integrated Tool Graph (SIT-Graph), which enhances multi-turn tool use by exploiting partially overlapping experience. Inspired by human decision-making that integrates episodic and procedural memory, SIT-Graph captures both compact state representations (episodic-like fragments) and tool-to-tool dependencies (procedural-like routines) from historical trajectories. Specifically, we first build a tool graph from accumulated tool-use sequences, and then augment each edge with a compact state summary of the dialog and tool history that may shape the next action. At inference time, SIT-Graph enables a human-like balance between episodic recall and procedural execution: when the next decision requires recalling prior context, the agent retrieves the state summaries stored on relevant edges and uses them to guide its next action; when the step is routine, it follows high-confidence tool dependencies without explicit recall. Experiments across multiple stateful multi-turn tool-use benchmarks show that SIT-Graph consistently outperforms strong memory- and graph-based baselines, delivering more robust tool selection and more effective experience transfer.

This study investigates language models' generative capabilities in tool-use dialogs. We categorize the models' outputs in tool-use dialogs into four distinct types: Tool Call, Answer Completion, Slot Question, and Relevance Detection, which serve as aspects for evaluation. We introduce FunctionChat-Bench, comprising 700 evaluation items and automated assessment programs. Using this benchmark, we evaluate several language models that support function calling. Our findings indicate that while language models may exhibit high accuracy in single-turn Tool Call scenarios, this does not necessarily translate to superior generative performance in multi-turn environments. We argue that the capabilities required for function calling extend beyond generating tool call messages; they must also effectively generate conversational messages that engage the user.

Evaluating open-ended outputs from large language models (LLMs) remains challenging due to the absence of ground truth. Existing metrics rely on final-answer accuracy or surface-level statistics, leaving the reasoning process itself unexamined. We introduce TRACE (Toulmin-based Reasoning Assessment through Constructive Elements), a metric that analyzes Chain-of-Thought (CoT) reasoning processes. Rather than judging outcomes, TRACE inspects how arguments are constructed by integrating Toulmin's argumentation theory with Flavell's metacognitive framework to assess reasoning structure. Experiments on 26.3K QA samples across 7 reasoning models show strong correlation with benchmark accuracy (r=0.74). Furthermore, TRACE is effective as a reinforcement learning reward signal, outperforming accuracy-only baselines. Together, these results indicate that logically sound reasoning leads to higher-quality answers. TRACE thus serves as a complementary metric for evaluating open-ended outputs. Code is available at https://github.com/hyyangkisti/trace.

Mining specifications from execution traces presents an automated way of capturing characteristic system behaviors. However, existing approaches are largely restricted to Boolean abstractions of events, limiting their ability to express data-aware properties. In this paper, we extend mining procedures to operate over richer datatypes. We first establish candidate functions in our domain that cover the set of traces by leveraging Syntax Guided Synthesis (SyGuS) techniques. To capture these function applications temporally, we formalize the semantics of TSL_f, a finite-prefix interpretation of Temporal Stream Logic (TSL) that extends LTL_f with support for first-order predicates and functional updates. This allows us to unify a corresponding procedure for learning the data transformations and temporal specifications of a system. We demonstrate our approach synthesizing reactive programs from mined specifications on the OpenAI-Gymnasium ToyText environments, finding that our method is more robust and orders of magnitude more sample-efficient than passive learning baselines on generalized problem instances.

There is a growing need for Large Language Models (LLMs) to effectively use tools and external Application Programming Interfaces (APIs) to plan and complete tasks. As such, there is tremendous interest in methods that can acquire sufficient quantities of train and test data that involve calls to tools / APIs. Two lines of research have emerged as the predominant strategies for addressing this challenge. The first has focused on synthetic data generation techniques, while the second has involved curating task-adjacent datasets which can be transformed into API / Tool-based tasks. In this paper, we focus on the task of identifying, curating, and transforming existing datasets and, in turn, introduce API-BLEND, a large corpora for training and systematic testing of tool-augmented LLMs. The datasets mimic real-world scenarios involving API-tasks such as API / tool detection, slot filling, and sequencing of the detected APIs. We demonstrate the utility of the API-BLEND dataset for both training and benchmarking purposes.

Tool learning can further broaden the usage scenarios of large language models (LLMs). However most of the existing methods either need to finetune that the model can only use tools seen in the training data, or add tool demonstrations into the prompt with lower efficiency. In this paper, we present a new Tool Learning method Chain-of-Tools. It makes full use of the powerful semantic representation capability of frozen LLMs to finish tool calling in CoT reasoning with a huge and flexible tool pool which may contain unseen tools. Especially, to validate the effectiveness of our approach in the massive unseen tool scenario, we construct a new dataset SimpleToolQuestions. We conduct experiments on two numerical reasoning benchmarks (GSM8K-XL and FuncQA) and two knowledge-based question answering benchmarks (KAMEL and SimpleToolQuestions). Experimental results show that our approach performs better than the baseline. We also identify dimensions of the model output that are critical in tool selection, enhancing the model interpretability. Our code and data are available at: https://github.com/fairyshine/Chain-of-Tools .

Language models of code (LMs) work well when the surrounding code in the vicinity of generation provides sufficient context. This is not true when it becomes necessary to use types or functionality defined in another module or library, especially those not seen during training. LMs suffer from limited awareness of such global context and end up hallucinating, e.g., using types defined in other files incorrectly. Recent work tries to overcome this issue by retrieving global information to augment the local context. However, this bloats the prompt or requires architecture modifications and additional training. Integrated development environments (IDEs) assist developers by bringing the global context at their fingertips using static analysis. We extend this assistance, enjoyed by developers, to the LMs. We propose a notion of monitors that use static analysis in the background to guide the decoding. Unlike a priori retrieval, static analysis is invoked iteratively during the entire decoding process, providing the most relevant suggestions on demand. We demonstrate the usefulness of our proposal by monitoring for type-consistent use of identifiers whenever an LM generates code for object dereference. To evaluate our approach, we curate PragmaticCode, a dataset of open-source projects with their development environments. On models of varying parameter scale, we show that monitor-guided decoding consistently improves the ability of an LM to not only generate identifiers that match the ground truth but also improves compilation rates and agreement with ground truth. We find that LMs with fewer parameters, when guided with our monitor, can outperform larger LMs. With monitor-guided decoding, SantaCoder-1.1B achieves better compilation rate and next-identifier match than the much larger text-davinci-003 model. The datasets and code will be released at https://aka.ms/monitors4codegen .

Software traceability establishes and leverages associations between diverse development artifacts. Researchers have proposed the use of deep learning trace models to link natural language artifacts, such as requirements and issue descriptions, to source code; however, their effectiveness has been restricted by availability of labeled data and efficiency at runtime. In this study, we propose a novel framework called Trace BERT (T-BERT) to generate trace links between source code and natural language artifacts. To address data sparsity, we leverage a three-step training strategy to enable trace models to transfer knowledge from a closely related Software Engineering challenge, which has a rich dataset, to produce trace links with much higher accuracy than has previously been achieved. We then apply the T-BERT framework to recover links between issues and commits in Open Source Projects. We comparatively evaluated accuracy and efficiency of three BERT architectures. Results show that a Single-BERT architecture generated the most accurate links, while a Siamese-BERT architecture produced comparable results with significantly less execution time. Furthermore, by learning and transferring knowledge, all three models in the framework outperform classical IR trace models. On the three evaluated real-word OSS projects, the best T-BERT stably outperformed the VSM model with average improvements of 60.31% measured using Mean Average Precision (MAP). RNN severely underperformed on these projects due to insufficient training data, while T-BERT overcame this problem by using pretrained language models and transfer learning.

Large language models (LLMs) are leading significant progress in code generation. Beyond one-pass code generation, recent works further integrate unit tests and program verifiers into LLMs to iteratively refine the generated programs. However, these works consider the generated programs as an indivisible entity, which falls short for LLMs in debugging the programs, especially when the programs contain complex logic flows and data operations. In contrast, when human developers debug programs, they typically set breakpoints and selectively examine runtime execution information. The execution flow and the intermediate variables play a crucial role in the debugging process, yet they are underutilized in the existing literature on code generation. In this study, we introduce Large Language Model Debugger (LDB), a novel debugging framework that enables LLMs to refine their generated programs with the runtime execution information. Specifically, LDB segments the programs into basic blocks and tracks the values of intermediate variables after each block throughout the runtime execution. This allows LLMs to concentrate on simpler code units within the overall execution flow, verify their correctness against the task description block by block, and efficiently pinpoint any potential errors. Experiments demonstrate that LDB consistently enhances the baseline performance by up to 9.8% across the HumanEval, MBPP, and TransCoder benchmarks, archiving new state-of-the-art performance in code debugging for various LLM selections.

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

Reasoning over heterogeneous artifacts (PDFs, spreadsheets, slide decks, etc.) increasingly occurs within structured agent workflows that iteratively extract, transform, and reference external information. In these workflows, uncertainty is not merely an input-quality issue: it can redirect decomposition and routing decisions, reshape intermediate state, and produce qualitatively different execution trajectories. We study this phenomenon by treating uncertainty as a controlled variable: we inject structured perturbations into artifact-derived representations, execute fixed workflows under comprehensive logging, and quantify contamination via trace divergence in plans, tool invocations, and intermediate state. Across 614 paired runs on 32 GAIA tasks with three different language models, we find a decoupling: workflows may diverge substantially yet recover correct answers, or remain structurally similar while producing incorrect outputs. We characterize three manifestation types: silent semantic corruption, behavioral detours with recovery, and combined structural disruption and their control-flow signatures (rerouting, extended execution, early termination). We measure operational costs and characterize why commonly used verification guardrails fail to intercept contamination. We contribute (i) a formal taxonomy of contamination manifestations in structured workflows, (ii) a trace-based measurement framework for detecting and localizing contamination across agent interactions, and (iii) empirical evidence with implications for targeted verification, defensive design, and cost control.

Establishing precise traceability between embedded systems datasheets and their corresponding code implementations remains a fundamental challenge in systems engineering, particularly for low-level software where manual mapping between specification documents and large code repositories is infeasible. Existing Traceability Link Recovery approaches primarily rely on lexical similarity and information retrieval techniques, which struggle to capture the semantic, structural, and symbol level relationships prevalent in embedded systems software. We present a hierarchical datasheet-to-code mapping methodology that employs large language models for semantic analysis while explicitly structuring the traceability process across multiple abstraction levels. Rather than performing direct specification-to-code matching, the proposed approach progressively narrows the search space through repository-level structure inference, file-level relevance estimation, and fine-grained symbollevel alignment. The method extends beyond function-centric mapping by explicitly covering macros, structs, constants, configuration parameters, and register definitions commonly found in systems-level C/C++ codebases. We evaluate the approach on multiple open-source embedded systems repositories using manually curated datasheet-to-code ground truth. Experimental results show substantial improvements over traditional information-retrieval-based baselines, achieving up to 73.3% file mapping accuracy. We significantly reduce computational overhead, lowering total LLM token consumption by 84% and end-to-end runtime by approximately 80%. This methodology supports automated analysis of large embedded software systems and enables downstream applications such as training data generation for systems-aware machine learning models, standards compliance verification, and large-scale specification coverage analysis.

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 software infrastructure increasingly relies on LLM agents for development and maintenance, such as Claude Code and Gemini-cli. However, these AI agents differ fundamentally from traditional deterministic software, posing a significant challenge to conventional monitoring and debugging. This creates a critical semantic gap: existing tools observe either an agent's high-level intent (via LLM prompts) or its low-level actions (e.g., system calls), but cannot correlate these two views. This blindness makes it difficult to distinguish between benign operations, malicious attacks, and costly failures. We introduce AgentSight, an AgentOps observability framework that bridges this semantic gap using a hybrid approach. Our approach, boundary tracing, monitors agents from outside their application code at stable system interfaces using eBPF. AgentSight intercepts TLS-encrypted LLM traffic to extract semantic intent, monitors kernel events to observe system-wide effects, and causally correlates these two streams across process boundaries using a real-time engine and secondary LLM analysis. This instrumentation-free technique is framework-agnostic, resilient to rapid API changes, and incurs less than 3% performance overhead. Our evaluation shows AgentSight detects prompt injection attacks, identifies resource-wasting reasoning loops, and reveals hidden coordination bottlenecks in multi-agent systems. AgentSight is released as an open-source project at https://github.com/agent-sight/agentsight.

Although Foundation Models (FMs), such as GPT-4, are increasingly used in domains like finance and software engineering, reliance on textual interfaces limits these models' real-world interaction. To address this, FM providers introduced tool calling-triggering a proliferation of frameworks with distinct tool interfaces. In late 2024, Anthropic introduced the Model Context Protocol (MCP) to standardize this tool ecosystem, which has become the de facto standard with over eight million weekly SDK downloads. Despite its adoption, MCP's AI-driven, non-deterministic control flow introduces new risks to sustainability, security, and maintainability, warranting closer examination. Towards this end, we present the first large-scale empirical study of MCP servers. Using state-of-the-art health metrics and a hybrid analysis pipeline, combining a general-purpose static analysis tool with an MCP-specific scanner, we evaluate 1,899 open-source MCP servers to assess their health, security, and maintainability. Despite MCP servers demonstrating strong health metrics, we identify eight distinct vulnerabilities - only three overlapping with traditional software vulnerabilities. Additionally, 7.2% of servers contain general vulnerabilities and 5.5% exhibit MCP-specific tool poisoning. Regarding maintainability, while 66% exhibit code smells, 14.4% contain nine bug patterns overlapping with traditional open-source software projects. These findings highlight the need for MCP-specific vulnerability detection techniques while reaffirming the value of traditional analysis and refactoring practices.

Policy-adherent tool-calling agents in customer-service domains must maintain task states across turns while calling tools and obeying domain policies. Task states consist of relevant facts, identifiers, constraints, and conditions observed through user interaction and tool calls. In standard agents, task states are not represented separately. Observations, tool returns, and policy instructions are placed in the prompt, leaving agents to reconstruct the relevant states from the prompt each time they decide what to do next. This design makes state management implicit, creating two common failure modes. An agent may retrieve the right facts but later ground its decision in stale, missing, or incorrect information; and a syntactically valid tool call may still violate a domain policy that depends on the current task state. We introduce LedgerAgent, an inference-time method for tool-calling agents that maintains observed task states in a separate ledger and renders the states into the prompt. The ledger is also used to check state-dependent policy constraints before environment-changing tool calls are executed, blocking policy violations. Across four customer-service domains and a mixed panel of open- and closed-weight models, LedgerAgent improves average passk over a standard prompt-based tool-calling approach, with the largest gains under stricter multi-trial consistency metrics.

Mechanistic interpretability seeks to understand the internal mechanisms of machine learning models, where localization -- identifying the important model components -- is a key step. Activation patching, also known as causal tracing or interchange intervention, is a standard technique for this task (Vig et al., 2020), but the literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impact of methodological details in activation patching, including evaluation metrics and corruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparate interpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we provide recommendations for the best practices of activation patching going forwards.

Context: The software maintenance phase involves many activities such as code refactoring, bug fixing, code review or testing. Program comprehension is key to all these activities, as it demands developers to grasp the knowledge (e.g., implementation details) required to modify the codebase. Methods as main building blocks in a program can offer developers this knowledge source for code comprehension. However, reading entire method statements can be challenging, which necessitates precise and up-to-date comments. Objective: We propose a solution as an IntelliJ IDEA plugin, named SmartDoc, that assists developers in generating context-aware method comments. Method: This plugin acts as an Artificial Intelligence (AI) agent that has its own memory and is augmented by target methods' context. When a request is initiated by the end-user, the method content and all its nested method calls are used in the comment generation. At the beginning, these nested methods are visited and a call graph is generated. This graph is then traversed using depth-first search (DFS), enabling the provision of full-context to enrich Large Language Model (LLM) prompts. Result: The product is a software, as a plugin, developed for Java codebase and installable on IntelliJ IDEA. This plugin can serve concurrently for methods whose comments are being updated , and it shares memory across all flows to avoid redundant calls. o measure the accuracy of this solution, a dedicated test case is run to record SmartDoc generated comments and their corresponding ground truth. For each collected result-set, three metrics are computed, BERTScore, BLEU and ROUGE-1. These metrics will determine how accurate the generated comments are in comparison to the ground truth. Result: The obtained accuracy, in terms of the precision, recall and F1, is promising, and lies in the range of 0.80 to 0.90 for BERTScore.

The rapid advancements in Autonomous Driving Systems (ADS) have necessitated robust software testing to ensure safety and reliability. However, automating the generation of scalable and concrete test scenarios remains a significant challenge. Current scenario-based test case generation methods often face limitations, such as unrealistic scenes and inaccurate vehicle trajectories. These challenges largely result from the loss of map information during data extraction and the lack of an effective verification mechanism to mitigate hallucinations in large language models (LLMs). This paper introduces TRACE, a scenario-based ADS Test case Generation framework for Critical Scenarios. By leveraging multimodal data to extract challenging scenarios from real-world car crash reports, TRACE constructs numerous critical test cases with less data, significantly enhancing ADS bug detection efficiency. Using in-context learning, chain-of-thought prompting, and self-validation approaches, we use LLMs to extract environmental and road network information from crash reports. For vehicle trajectory planning, data containing map information and vehicle coordinates serves as a knowledge base to build a ChatGPT-based LLM with path-planning capabilities, which we named TrackMate. Based on 50 existing crash reports, our approach successfully tested three ADS models across two simulation platforms, MetaDrive and BeamNG. Of the 290 constructed test scenarios, 127 are identified as critical, as they resulted in vehicle collisions. Additionally, user feedback reveals that TRACE demonstrates superior scenario reconstruction accuracy, with 77.5% of the scenarios being rated as 'mostly or 'totally' consistent, compared to only 27% for the most related SOTA, LCTGen.

Large language models (LLMs) remain prone to factual inaccuracies and computational errors, including hallucinations and mistakes in mathematical reasoning. Recent work augmented LLMs with tools to mitigate these shortcomings, but often requires curated gold tool-use demonstrations. In this paper, we investigate whether LLMs can learn to use tools without demonstrations. First, we analyse zero-shot prompting strategies to guide LLMs in tool utilisation. Second, we propose a self-training method to synthesise tool-use traces using the LLM itself. We compare supervised fine-tuning and preference fine-tuning techniques for fine-tuning the model on datasets constructed using existing Question Answering (QA) datasets, i.e., TriviaQA and GSM8K. Experiments show that tool-use enhances performance on a long-tail knowledge task: 3.7% on PopQA, which is used solely for evaluation, but leads to mixed results on other datasets, i.e., TriviaQA, GSM8K, and NQ-Open. Our findings highlight the potential and challenges of integrating external tools into LLMs without demonstrations.

Large Language Models (LLMs) are rapidly transforming software engineering, with coding assistants embedded in an IDE becoming increasingly prevalent. While research has focused on improving the tools and understanding developer perceptions, a critical gap exists in understanding how developers actually use these tools in their daily workflows, and, crucially, where they struggle. This paper addresses part of this gap through a multi-phased investigation of developer interactions with an LLM-powered code editing and transformation feature, Transform Code, in an IDE widely used at Google. First, we analyze telemetry logs of the feature usage, revealing that frequent re-prompting can be an indicator of developer struggles with using Transform Code. Second, we conduct a qualitative analysis of unsatisfactory requests, identifying five key categories of information often missing from developer prompts. Finally, based on these findings, we propose and evaluate a tool, AutoPrompter, for automatically improving prompts by inferring missing information from the surrounding code context, leading to a 27% improvement in edit correctness on our test set.

Tool-augmented large language models (LLMs) are attracting widespread attention when accessing up-to-date knowledge and alleviating hallucination issues. Nowadays, advanced closed-source LLMs (e.g., ChatGPT) have demonstrated surprising tool-usage capabilities through prompting and in-context learning techniques. To empower the capabilities of open-source LLMs (e.g., LLaMA) in manipulating tools, current efforts focus on either template-driven or token-triggered tool-usage. However, the former hampers LLMs' flexibility to address diverse user's queries due to constrained tool interactions, while the latter limits the generalizability when engaging with new tools, since tool-usage learning is based on task- and tool-specific datasets. To alleviate these concerns, in this paper, we propose a decision-aware and generalizable tool-usage framework (DEER). Specifically, we first construct the tool-usage samples with multiple decision branches via an automatic generation pipeline, thereby inspiring the decision-making awareness of LLMs under diverse scenarios. Meanwhile, we propose a novel tool sampling strategy to enhance the generalizability of LLMs over unseen tools. Extensive experiments demonstrate that our proposed DEER is effective and significantly outperforms baselines across various datasets.

Recent studies demonstrate that tool-calling capability enables large language models (LLMs) to interact with external environments for long-horizon financial tasks. While existing benchmarks have begun evaluating financial tool calling, they focus on limited scenarios and rely on call-level metrics that fail to capture trajectory-level reasoning quality. To address this gap, we introduce FinTrace, a benchmark comprising 800 expert-annotated trajectories spanning 34 real-world financial task categories across multiple difficulty levels. FinTrace employs a rubric-based evaluation protocol with nine metrics organized along four axes -- action correctness, execution efficiency, process quality, and output quality -- enabling fine-grained assessment of LLM tool-calling behavior. Our evaluation of 13 LLMs reveals that while frontier models achieve strong tool selection, all models struggle with information utilization and final answer quality, exposing a critical gap between invoking the right tools and reasoning effectively over their outputs. To move beyond diagnosis, we construct FinTrace-Training, the first trajectory-level preference dataset for financial tool-calling, containing 8,196 curated trajectories with tool-augmented contexts and preference pairs. We fine-tune Qwen-3.5-9B using supervised fine-tuning followed by direct preference optimization (DPO) and show that training on FinTrace-Training consistently improves intermediate reasoning metrics, with DPO more effectively suppressing failure modes. However, end-to-end answer quality remains a bottleneck, indicating that trajectory-level improvements do not yet fully propagate to final output quality.

Recently, tool-augmented LLMs have gained increasing attention. Given an instruction, tool-augmented LLMs can interact with various external tools in multiple rounds and provide a final answer. However, previous LLMs were trained on overly detailed instructions, which included API names or parameters, while real users would not explicitly mention these API details. This leads to a gap between trained LLMs and real-world scenarios. In addition, most works ignore whether the interaction process follows the instruction. To address these issues, we constructed a training dataset called MGToolBench, which contains statement and category-level instructions to better reflect real-world scenarios. In addition, we propose ToolPlanner, a two-stage reinforcement learning framework that utilizes path planning and two feedback mechanisms to enhance the LLM's task completion and instruction-following capabilities. Experimental results show that ToolPlanner significantly improves the Match Rate, Pass Rate and Win Rate by 26.8%, 20.2%, and 5.6% compared to the SOTA model. Human evaluation verifies that the multi-granularity instructions can better align with users' usage habits. Our data and code will be released upon acceptance.

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.

Recent advancements in function calling and tool use have significantly enhanced the capabilities of large language models (LLMs) by enabling them to interact with external information sources and execute complex tasks. However, the limited context window of LLMs presents challenges when a large number of tools are available, necessitating efficient methods to manage prompt length and maintain accuracy. Existing approaches, such as fine-tuning LLMs or leveraging their reasoning capabilities, either require frequent retraining or incur significant latency overhead. A more efficient solution involves training smaller models to retrieve the most relevant tools for a given query, although this requires high quality, domain-specific data. To address those challenges, we present a novel framework for generating synthetic data for tool retrieval applications and an efficient data-driven tool retrieval strategy using small encoder models. Empowered by LLMs, we create ToolBank, a new tool retrieval dataset that reflects real human user usages. For tool retrieval methodologies, we propose novel approaches: (1) Tool2Vec: usage-driven tool embedding generation for tool retrieval, (2) ToolRefiner: a staged retrieval method that iteratively improves the quality of retrieved tools, and (3) MLC: framing tool retrieval as a multi-label classification problem. With these new methods, we achieve improvements of up to 27.28 in Recall@K on the ToolBench dataset and 30.5 in Recall@K on ToolBank. Additionally, we present further experimental results to rigorously validate our methods. Our code is available at https://github.com/SqueezeAILab/Tool2Vec

Recent advancements in integrating large language models (LLMs) with tools have allowed the models to interact with real-world environments. However, these tool-augmented LLMs often encounter incomplete scenarios when users provide partial information or the necessary tools are unavailable. Recognizing and managing such scenarios is crucial for LLMs to ensure their reliability, but this exploration remains understudied. This study examines whether LLMs can identify incomplete conditions and appropriately determine when to refrain from using tools. To this end, we address a dataset by manipulating instances from two datasets by removing necessary tools or essential information for tool invocation. We confirm that most LLMs are challenged to identify the additional information required to utilize specific tools and the absence of appropriate tools. Our research can contribute to advancing reliable LLMs by addressing scenarios that commonly arise during interactions between humans and LLMs.

Scaling test-time computation improves performance across different tasks on large language models (LLMs), which has also been extended to tool-augmented agents. For these agents, scaling involves not only "thinking" in tokens but also "acting" via tool calls. The number of tool calls directly bounds the agent's interaction with the external environment. However, we find that simply granting agents a larger tool-call budget fails to improve performance, as they lack "budget awareness" and quickly hit a performance ceiling. To address this, we study how to scale such agents effectively under explicit tool-call budgets, focusing on web search agents. We first introduce the Budget Tracker, a lightweight plug-in that provides the agent with continuous budget awareness, enabling simple yet effective scaling. We further develop BATS (Budget Aware Test-time Scaling), an advanced framework that leverages this awareness to dynamically adapt its planning and verification strategy, deciding whether to "dig deeper" on a promising lead or "pivot" to new paths based on remaining resources. To analyze cost-performance scaling in a controlled manner, we formalize a unified cost metric that jointly accounts for token and tool consumption. We provide the first systematic study on budget-constrained agents, showing that budget-aware methods produce more favorable scaling curves and push the cost-performance Pareto frontier. Our work offers empirical insights toward a more transparent and principled understanding of scaling in tool-augmented agents.

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.

Tool-integrated reasoning (TIR) enables large language models (LLMs) to enhance their capabilities by interacting with external tools, such as code interpreters (CI). Most recent studies focus on exploring various methods to equip LLMs with the ability to use tools. However, how to further boost the reasoning ability of already tool-capable LLMs at inference time remains underexplored. Improving reasoning at inference time requires no additional training and can help LLMs better leverage tools to solve problems. We observe that, during tool-capable LLM inference, both the number and the proportion of erroneous tool calls are negatively correlated with answer correctness. Moreover, erroneous tool calls are typically resolved successfully within a few subsequent turns. If not, LLMs often struggle to resolve such errors even with many additional turns. Building on the above observations, we propose PruneTIR, a rather effective yet efficient framework that enhances the tool-integrated reasoning at inference time. During LLM inference, PruneTIR prunes trajectories, resamples tool calls, and suspends tool usage through three components: Success-Triggered Pruning, Stuck-Triggered Pruning and Resampling, and Retry-Triggered Tool Suspension. These three components enable PruneTIR to mitigate the negative impact of erroneous tool calls and prevent LLMs from getting stuck in repeated failed resolution attempts, thereby improving overall LLM performance. Extensive experimental results demonstrate the effectiveness of PruneTIR, which significantly improves Pass@1 and efficiency while reducing the working context length for tool-capable LLMs.

Large language models (LLMs) are increasingly used as tool-augmented agents for multi-step decision making, yet training robust tool-using agents remains challenging. Existing methods still require manual intervention, depend on non-verifiable simulated environments, rely exclusively on either supervised fine-tuning (SFT) or reinforcement learning (RL), and struggle with stable long-horizon, multi-turn learning. To address these challenges, we introduce ASTRA, a fully automated end-to-end framework for training tool-augmented language model agents via scalable data synthesis and verifiable reinforcement learning. ASTRA integrates two complementary components. First, a pipeline that leverages the static topology of tool-call graphs synthesizes diverse, structurally grounded trajectories, instilling broad and transferable tool-use competence. Second, an environment synthesis framework that captures the rich, compositional topology of human semantic reasoning converts decomposed question-answer traces into independent, code-executable, and rule-verifiable environments, enabling deterministic multi-turn RL. Based on this method, we develop a unified training methodology that integrates SFT with online RL using trajectory-level rewards to balance task completion and interaction efficiency. Experiments on multiple agentic tool-use benchmarks demonstrate that ASTRA-trained models achieve state-of-the-art performance at comparable scales, approaching closed-source systems while preserving core reasoning ability. We release the full pipelines, environments, and trained models at https://github.com/LianjiaTech/astra.

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%.

Memory is essential for enabling large language models to support long-horizon reasoning, yet existing memory systems remain unreliable and difficult to debug. Tracing memory's dynamic evolution is crucial to understand how information is synthesized, propagated, or corrupted over time. In this work, we study the new problem of error tracing and attribution in LLM memory systems. We propose a novel framework that transforms memory pipelines into executable memory evolution graphs, enabling fine-grained tracing of operational information flow. We then construct MemTraceBench, a benchmark collected from representative memory systems such as Long-Context, RAG, Mem0, and EverMemOS, to systematically study memory failure modes. We further introduce an automatic attribution method that iteratively traces operation subgraphs to pinpoint the root cause of any failed case. Our analysis reveals that memory failures are systematic, stemming from operation-level issues like information loss and retrieval misalignment. Crucially, we leverage these fine-grained attribution signals to guide downstream prompt optimization, establishing a closed-loop system that automatically corrects faults and boosts end-task performance by up to 7.62%. Code will be released at https://github.com/zjunlp/MemTrace.

The advancement of LLM agents with tool-use capabilities requires diverse and complex training corpora. Existing data generation methods, which predominantly follow a paradigm of random sampling and shallow generation, often yield simple and homogeneous trajectories that fail to capture complex, implicit logical dependencies. To bridge this gap, we introduce HardGen, an automatic agentic pipeline designed to generate hard tool-use training samples with verifiable reasoning. Firstly, HardGen establishes a dynamic API Graph built upon agent failure cases, from which it samples to synthesize hard traces. Secondly, these traces serve as conditional priors to guide the instantiation of modular, abstract advanced tools, which are subsequently leveraged to formulate hard queries. Finally, the advanced tools and hard queries enable the generation of verifiable complex Chain-of-Thought (CoT), with a closed-loop evaluation feedback steering the continuous refinement of the process. Extensive evaluations demonstrate that a 4B parameter model trained with our curated dataset achieves superior performance compared to several leading open-source and closed-source competitors (e.g., GPT-5.2, Gemini-3-Pro and Claude-Opus-4.5). Our code, models, and dataset will be open-sourced to facilitate future research.

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

We present the first systematic approach to static and dynamic taint analysis for Graph APIs focusing on broken access control. The approach comprises the following. We taint nodes in the Graph API if they represent data requiring specific privileges in order to be retrieved or manipulated, and identify API calls which are related to sources and sinks. Then, we statically analyze whether tainted information flow between API source and sink calls occurs. To this end, we model the API calls using graph transformation rules. We subsequently use critical pair analysis to automatically analyze potential dependencies between rules representing source calls and rules representing sink calls. We distinguish direct from indirect tainted information flow and argue under which conditions the CPA is able to detect not only direct, but also indirect tainted flow. The static taint analysis (i) identifies flows that need to be further reviewed, since tainted nodes may be created by an API call and used or manipulated by another API call later without having the necessary privileges, and (ii) can be used to systematically design dynamic security tests for broken access control. The dynamic taint analysis checks if potential broken access control risks detected during the static taint analysis really occur. We apply the approach to a part of the GitHub GraphQL API. The application illustrates that our analysis supports the detection of two types of broken access control systematically: the case where users of the API may not be able to access or manipulate information, although they should be able to do so; and the case where users (or attackers) of the API may be able to access/manipulate information that they should not.

Automatically generating source code from natural language descriptions has been a growing field of research in recent years. However, current large-scale code generation models often encounter difficulties when selecting appropriate APIs for specific contexts. These models may generate APIs that do not meet requirements or refer to non-existent APIs in third-party libraries, especially for lesser-known or private libraries. Inspired by the process of human developers using tools to search APIs, we propose ToolCoder, a novel approach that integrates API search tools with existing models to assist in code generation and API selection. To teach our model to use tools, we introduce an automated data annotation method using ChatGPT to add tool usage information into the source code data and fine-tune code generation models. During inference, we integrate API search tools into the generation process so that our model can automatically use the search tool to get suggestions when selecting an API. Our experimental results demonstrate that ToolCoder exhibits excellent performance and generalization across five public and private library code generation benchmarks, with at least 6.21\% improvement on average pass@1 metrics and 9.64\% improvement on average pass@10 metrics compared to state-of-the-art methods. Furthermore, we show that our relatively small ToolCoder model is comparable to one of the current best models, GPT-3.5, highlighting the potential of incorporating programming tools into the code generation process.

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

Multi-agent systems powered by Large Language Models excel at complex tasks through coordinated collaboration, yet they face high failure rates in multi-turn deep search scenarios. Existing temporal attribution methods struggle to accurately diagnose root causes, particularly when errors propagate across multiple agents. Attempts to automate failure attribution by analyzing action sequences remain ineffective due to their inability to account for information dependencies that span agents. This paper identifies two core challenges: (i) distinguishing symptoms from root causes in multi-agent error propagation, and (ii) tracing information dependencies beyond temporal order. To address these issues, we introduce GraphTracer, a framework that redefines failure attribution through information flow analysis. GraphTracer constructs Information Dependency Graphs (IDGs) to explicitly capture how agents reference and build on prior outputs. It localizes root causes by tracing through these dependency structures instead of relying on temporal sequences. GraphTracer also uses graph-aware synthetic data generation to target critical nodes, creating realistic failure scenarios. Evaluations on the Who\&When benchmark and integration into production systems demonstrate that GraphTracer-8B achieves up to 18.18\% higher attribution accuracy compared to state-of-the-art models and enables 4.8\% to 14.2\% performance improvements in deployed multi-agent frameworks, establishing a robust solution for multi-agent system debugging.

In Agentic AI, Large Language Models (LLMs) are increasingly used in the orchestration layer to coordinate multiple agents and to interact with external services, retrieval components, and shared memory. In this setting, failures are not limited to incorrect final outputs. They also arise from long-horizon interaction, stochastic decisions, and external side effects (such as API calls, database writes, and message sends). Common failures include non-termination, role drift, propagation of unsupported claims, and attacks via untrusted context or external channels. This paper presents an assurance framework for such Agentic AI systems. Executions are instrumented as Message-Action Traces (MAT) with explicit step and trace contracts. Contracts provide machine-checkable verdicts, localize the first violating step, and support deterministic replay. The framework includes stress testing, formulated as a budgeted counterexample search over bounded perturbations. It also supports structured fault injection at service, retrieval, and memory boundaries to assess containment under realistic operational faults and degraded conditions. Finally, governance is treated as a runtime component, enforcing per-agent capability limits and action mediation (allow, rewrite, block) at the language-to-action boundary. To support comparative evaluations across stochastic seeds, models, and orchestration configurations, the paper defines trace-based metrics for task success, termination reliability, contract compliance, factuality indicators, containment rate, and governance outcome distributions. More broadly, the framework is intended as a common abstraction to support testing and evaluation of multi-agent LLM systems, and to facilitate reproducible comparison across orchestration designs and configurations.