Daily Papers

Multi-provider LLM gateways reverse proxies that route, load-balance, and rate-limit requests across foundation-model APIs have become critical production infrastructure. Yet the failure modes specific to this architectural layer remain undocumented, scattered across issue trackers and post-mortems with no unifying framework. We introduce , a two-axis taxonomy that classifies failures by their origin layer (Network/Transport, Streaming/Protocol, State/Session, Model~Behavior, Governance/Cost) and their detectability (Loud vs.\ Silent). We populate this taxonomy with five verified catalog entries sourced from public bug reports and first-hand stress testing, each accompanied by a mechanistic root-cause analysis. Three entries include standalone reproduction scripts. Our principal finding is that the most operationally severe failures are silent: they return HTTP~200, pass every standard health check, and corrupt application state in ways that require semantic-level observability to detect. Two such silent failures a concurrency race condition causing history loss and a streaming index collision corrupting tool-call payloads were discovered first-hand during evaluation campaigns.

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-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

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.

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 .

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.

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-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.

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.

Large language models (LLMs) increasingly rely on external tools and APIs to execute complex tasks specified in natural language. Evaluating such tool calling capabilities in realistic enterprise settings is challenging: APIs are often proprietary, heterogeneous, and difficult to share, limiting reproducible benchmarks. To address this, we introduce Live API Bench, a comprehensive benchmark constructed by transforming NL2SQL datasets into interactive API environments. Our pipeline converts SQL queries from BIRD SQL into executable API sequences across three formulations SLOT, SEL, and REST covering minimal general purpose operations, domain specific multi step tasks, and function oriented RESTful interactions, respectively. The benchmark spans 11 databases with over 2,500 invocable tools, paired with human authored queries, ground truth API sequences, and verified final answers. Live API Bench enables systematic evaluation of core challenges in tool use, including error handling, sequential reasoning, parameter generation, response parsing, and robustness across diverse domains. We evaluate 10 LLMs and 4 ReACT agents, observing low task completion rates (7 to 47pct), which improve modestly to 50pct under interactive agent settings, highlighting substantial scope for improving LLM tool calling performance. We release all code and data associated with this paper.

Large Language Models (LLMs) have seen an impressive wave of advances recently, with models now excelling in a variety of tasks, such as mathematical reasoning and program synthesis. However, their potential to effectively use tools via API calls remains unfulfilled. This is a challenging task even for today's state-of-the-art LLMs such as GPT-4, largely due to their inability to generate accurate input arguments and their tendency to hallucinate the wrong usage of an API call. We release Gorilla, a finetuned LLaMA-based model that surpasses the performance of GPT-4 on writing API calls. When combined with a document retriever, Gorilla demonstrates a strong capability to adapt to test-time document changes, enabling flexible user updates or version changes. It also substantially mitigates the issue of hallucination, commonly encountered when prompting LLMs directly. To evaluate the model's ability, we introduce APIBench, a comprehensive dataset consisting of HuggingFace, TorchHub, and TensorHub APIs. The successful integration of the retrieval system with Gorilla demonstrates the potential for LLMs to use tools more accurately, keep up with frequently updated documentation, and consequently increase the reliability and applicability of their outputs. Gorilla's code, model, data, and demo are available at https://gorilla.cs.berkeley.edu

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/.

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.

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.

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.

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.

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

Currently, the vast majority of locally deployed open-source large language models (LLMs) and some commercial model interfaces do not support stable tool calling functionality. The existing solution involves fine-tuning LLMs, which results in significant time and computational resource consumption. This paper proposes a method that enables LLMs to achieve stable tool calling capabilities using only prompt engineering and some ingenious code design. We conducted experiments on multiple LLMs that lack tool calling capabilities across various tool calling tasks, achieving a success rate of 100%.

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.

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%.

Tool-calling benchmarks are increasingly used to rank language-model agents, yet their scores are often treated as ground truth without validating the evaluators themselves. We present a systematic validity and reproducibility audit of four major tool-calling benchmark families: BFCL v4, τ2-Bench, LiveMCPBench, and MCP-Atlas. Across 496 expert-reviewed benchmark tasks, we find 92 evaluator-human disagreements, corresponding to an 18.5% misalignment rate. The failures are not isolated annotation mistakes: deterministic benchmarks exhibit brittle state matching, trajectory lock-in, incorrect ground truths, substring-based communication failures, and reward-basis misalignment, while LLM-judge benchmarks exhibit rubric drift, hallucinated completion, answer-only scoring, and substantial run-to-run variance. In LiveMCPBench, 23 repeated evaluations of the same setup produce scores ranging from 57.9% to 76.8%, a spread of 18.9 percentage points, large enough to change leaderboard conclusions. These results show that current tool-calling scores can reflect evaluator artifacts rather than agent capability. We introduce a unified taxonomy of tool-calling evaluation failures, release trace-level audit artifacts and corrected evaluation components, and argue for decomposed metrics that separately measure tool invocation, task completion, and outcome verification. Our findings suggest that progress in tool-using agents requires benchmarks whose evaluators are themselves reproducible, auditable, and aligned with human judgments of task success. We further introduce Tool-Veritas, a configurable benchmark that combines deterministic state verification with optional qualitative judging, and Harness Lab, an open-source system for benchmark execution, trace inspection, repeated-run comparison, and evaluator debugging.

Exploitation is not a binary event. It is a ladder of acquiring progressive capabilities, from executing a single buggy line of code to taking full control of the target. However, existing LLM security benchmarks treat a crash as exploitation success. That single binary outcome collapses the hard parts of exploitation: the transition from triggering a bug to constructing reusable primitives and control. We present ExploitBench, a capability-graded benchmark that decomposes exploitation into 16 measurable flags, from coverage and crash through sandbox primitives, arbitrary read/write, control-flow hijack, and arbitrary code execution. Each capability is verified by a deterministic oracle that uses a per-run randomized challenge-response for primitives, differential execution against ground-truth binaries to measure progress, and a signal-handler proof for code execution. We instantiate ExploitBench on 41 V8 bugs because V8 is both widely deployed and exploitation-hardened. We report three arms: <model,env> as the primary measurement of model-environment capability, <model,env, adaptive coaching> as a secondary arm that adds adaptive coaching to test whether targeted feedback shifts outcomes, and <model,env,harness> as an ablation that swaps in the model's native CLI to check whether vendor-side optimizations increase exploitation capabilities. Our results show a sharp capability split between publicly deployed frontier models and the private frontier. Across the 8 publicly deployed models tested, reaching the vulnerable code and triggering a crash is routine, but arbitrary code execution is not. The private model shows arbitrary code execution on approximately half. Overall, results suggest that exploit construction against hardened targets is an emerging frontier capability.

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.

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.

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.

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.

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.

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.

Production LLM agents often waste latency and reliability by regenerating code for the same procedural steps on every request. We replace this inference-time coding loop with an agentic tool-making pipeline that compiles repeated SOP steps into validated, versioned tools before deployment. The tool-maker grounds synthesis in the live environment as it collects execution traces, observes backend schemas and values, generates candidate tools, and repairs them against labeled cases. At runtime, the production agent calls these tools directly and falls back to code generation only when needed. We deploy the approach in a Fulfillment Center alarm-triage system, where an agent diagnoses alarms against a 44-node SOP over heterogeneous metric backends. In production, tool calls reduce p50 latency by 42%. On 1,500 historical alarms, they reduce end-to-end error rate by up to 53% by suppressing run-to-run variance in repeated steps. Because tools return compact structured verdicts, they also enable a simpler direct-call architecture, reducing p50 latency by a further 62% in a controlled ablation. Versioned tools also improve auditability and expose specification gaps and upstream data drift. Our results show that self-evolving agents can make industrial LLM systems faster, more reliable, and easier to operate.

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.

Large Language Models (LLMs) have transformed code completion tasks, providing context-based suggestions to boost developer productivity in software engineering. As users often fine-tune these models for specific applications, poisoning and backdoor attacks can covertly alter the model outputs. To address this critical security challenge, we introduce CodeBreaker, a pioneering LLM-assisted backdoor attack framework on code completion models. Unlike recent attacks that embed malicious payloads in detectable or irrelevant sections of the code (e.g., comments), CodeBreaker leverages LLMs (e.g., GPT-4) for sophisticated payload transformation (without affecting functionalities), ensuring that both the poisoned data for fine-tuning and generated code can evade strong vulnerability detection. CodeBreaker stands out with its comprehensive coverage of vulnerabilities, making it the first to provide such an extensive set for evaluation. Our extensive experimental evaluations and user studies underline the strong attack performance of CodeBreaker across various settings, validating its superiority over existing approaches. By integrating malicious payloads directly into the source code with minimal transformation, CodeBreaker challenges current security measures, underscoring the critical need for more robust defenses for code completion.

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

LLM-based coding agents extend their capabilities via third-party agent skills distributed through open marketplaces without mandatory security review. Unlike traditional packages, these skills are executed as operational directives with system-level privileges, so a single malicious skill can compromise the host. Prior work has not examined whether supply-chain attacks can directly hijack an agent's action space, such as file writes, shell commands, and network requests, despite existing safeguards. We introduce Document-Driven Implicit Payload Execution (DDIPE), which embeds malicious logic in code examples and configuration templates within skill documentation. Because agents reuse these examples during normal tasks, the payload executes without explicit prompts. Using an LLM-driven pipeline, we generate 1,070 adversarial skills from 81 seeds across 15 MITRE ATTACK categories. Across four frameworks and five models, DDIPE achieves 11.6% to 33.5% bypass rates, while explicit instruction attacks achieve 0% under strong defenses. Static analysis detects most cases, but 2.5% evade both detection and alignment. Responsible disclosure led to four confirmed vulnerabilities and two fixes.

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.

AI agents are increasingly deployed in multi-tenant cloud environments, where they execute diverse tool calls within sandboxed containers, each call with distinct resource demands and rapid fluctuations. We present a systematic characterization of OS-level resource dynamics in sandboxed AI coding agents, analyzing 144 software engineering tasks from the SWE-rebench benchmark across two LLM models. Our measurements reveal that (1) OS-level execution (tool calls, container and agent initialization) accounts for 56-74% of end-to-end task latency; (2) memory, not CPU, is the concurrency bottleneck; (3) memory spikes are tool-call-driven with a up to 15.4x peak-to-average ratio; and (4) resource demands are highly unpredictable across tasks, runs, and models. Comparing these characteristics against serverless, microservice, and batch workloads, we identify three mismatches in existing resource controls: a granularity mismatch (container-level policies vs. tool-call-level dynamics), a responsiveness mismatch (user-space reaction vs. sub-second unpredictable bursts), and an adaptability mismatch (history-based prediction vs. non-deterministic stateful execution). We propose AgentCgroup, an intent-driven eBPF-based resource controller that exploits agents ability to declare resource needs and reconstruct execution strategies, using hierarchical cgroup structures aligned with tool-call boundaries, in-kernel enforcement via sched_ext and memcg_bpf_ops, and runtime-adaptive policies. Preliminary evaluation demonstrates improved multi-tenant isolation and reduced resource waste. AgentCgroup is open-source at https://github.com/eunomia-bpf/agentcgroup

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

Recent large language models (LLMs) advancements sparked a growing research interest in tool assisted LLMs solving real-world challenges, which calls for comprehensive evaluation of tool-use capabilities. While previous works focused on either evaluating over stateless web services (RESTful API), based on a single turn user prompt, or an off-policy dialog trajectory, ToolSandbox includes stateful tool execution, implicit state dependencies between tools, a built-in user simulator supporting on-policy conversational evaluation and a dynamic evaluation strategy for intermediate and final milestones over an arbitrary trajectory. We show that open source and proprietary models have a significant performance gap, and complex tasks like State Dependency, Canonicalization and Insufficient Information defined in ToolSandbox are challenging even the most capable SOTA LLMs, providing brand-new insights into tool-use LLM capabilities. ToolSandbox evaluation framework is released at https://github.com/apple/ToolSandbox

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.

The advancement of function-calling agent models requires diverse, reliable, and high-quality datasets. This paper presents APIGen, an automated data generation pipeline designed to synthesize verifiable high-quality datasets for function-calling applications. We leverage APIGen and collect 3,673 executable APIs across 21 different categories to generate diverse function-calling datasets in a scalable and structured manner. Each data in our dataset is verified through three hierarchical stages: format checking, actual function executions, and semantic verification, ensuring its reliability and correctness. We demonstrate that models trained with our curated datasets, even with only 7B parameters, can achieve state-of-the-art performance on the Berkeley Function-Calling Benchmark, outperforming multiple GPT-4 models. Moreover, our 1B model achieves exceptional performance, surpassing GPT-3.5-Turbo and Claude-3 Haiku. We release a dataset containing 60,000 high-quality entries, aiming to advance the field of function-calling agent domains. The dataset is available on Huggingface: https://huggingface.co/datasets/Salesforce/xlam-function-calling-60k and the project homepage: https://apigen-pipeline.github.io/

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.

In the rapidly evolving domain of artificial intelligence, Large Language Models (LLMs) play a crucial role due to their advanced text processing and generation abilities. This study introduces a new strategy aimed at harnessing on-device LLMs in invoking software APIs. We meticulously compile a dataset derived from software API documentation and apply fine-tuning to LLMs with capacities of 2B, 3B and 7B parameters, specifically to enhance their proficiency in software API interactions. Our approach concentrates on refining the models' grasp of API structures and syntax, significantly enhancing the accuracy of API function calls. Additionally, we propose conditional masking techniques to ensure outputs in the desired formats and reduce error rates while maintaining inference speeds. We also propose a novel benchmark designed to evaluate the effectiveness of LLMs in API interactions, establishing a foundation for subsequent research. Octopus, the fine-tuned model, is proved to have better performance than GPT-4 for the software APIs calling. This research aims to advance automated software development and API integration, representing substantial progress in aligning LLM capabilities with the demands of practical software engineering applications.

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.

Large language models have demonstrated impressive value in performing as autonomous agents when equipped with external tools and API calls. Nonetheless, effectively harnessing their potential for executing complex tasks crucially relies on enhancements in their function calling capabilities. This paper identifies a critical gap in existing function calling models, where performance varies significantly across benchmarks, often due to being misled by specific naming conventions. To address such an issue, we introduce Hammer, a novel family of foundation models specifically engineered for on-device function calling. Hammer employs an augmented dataset that enhances models' sensitivity to irrelevant functions and incorporates function masking techniques to minimize misleading. Our empirical evaluations reveal that Hammer not only outperforms larger models but also demonstrates robust generalization across diverse benchmarks, achieving sota results. Our open source contributions include a specialized dataset for irrelevance detection, a tuning framework for enhanced generalization, and the Hammer models, establishing a new standard for function calling performance.

Large language models (LLMs) have displayed massive improvements in reason- ing and decision-making skills and can hold natural conversations with users. Many recent works seek to augment LLM-based assistants with external tools so they can access private or up-to-date information and carry out actions on behalf of users. To better measure the performance of these assistants, this paper introduces ToolTalk, a benchmark consisting of complex user intents re- quiring multi-step tool usage specified through dialogue. ToolTalk contains 28 tools grouped into 7 plugins, and includes a complete simulated implementa- tion of each tool, allowing for fully automated evaluation of assistants that rely on execution feedback. ToolTalk also emphasizes tools that externally affect the world rather than only tools for referencing or searching information. We evaluate GPT-3.5 and GPT-4 on ToolTalk resulting in success rates of 26% and 50% respectively. Our analysis of the errors reveals three major categories and suggests some future directions for improvement. We release ToolTalk at https://github.com/microsoft/ToolTalk.

Context-reduction layers for API-based coding agents, including command-output compressors, retrieval rankers, and API-boundary proxies, are commonly evaluated by how much context or tool output they remove. We ask a different question: which interventions actually reduce end-to-end billed cost while preserving task success? Our primary evidence is a pre-specified, hash-frozen, paired campaign of 2,908 provider-billed Claude Code runs, of which 2,848 were analyzed, covering 103 tasks, seven repositories, and three models. The campaign compared a baseline with two generations of hook-based compression and an API-boundary proxy within a broader measured program of roughly 5,500 billed executions. Three findings emerge. First, prompt-cache traffic dominated cost composition, accounting for about 87% of reconstructed four-component cost (about 80% of the actual bill), with an 8.7% dollar-weighted residual not attributable from retained telemetry. Second, local payload reduction was not a reliable predictor of end-to-end billed cost. An arm that removed 38% of estimated raw tool-output tokens incurred 6.8% higher paired cost (95% CI: +2.8% to +11.3%), while per-task reduction showed only a weak association with cost change (Pearson r = 0.15). Third, aggressive compression can remove action-critical evidence: on SWE-bench-derived Go tasks, compression reduced successful patch application from 27/40 to 15/40 by corrupting verbatim edit anchors. We propose evaluating context-reduction systems by success-adjusted billed cost rather than token reduction alone.

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.

The deployment of Large Language Models (LLMs) as agentic orchestrators has revolutionized task automation, but the need for privacy-preserving, cost-effective solutions demands on-device inference capabilities. However, local LLMs consistently underperform compared to frontier models in tool calling scenarios, struggling with both tool selection from large tool sets and accurate argument generation for complex parameter structures. We introduce a methodology that disaggregates a tool-calling task into two distinct subtasks: tool selection and argument generation. We propose "decoupled fine-tuning", a novel post-training approach that employs LoRA fine-tuning to create dedicated LoRA adapters for tool selection and tool-specific argument generation using separate loss masking for each of the subtasks. Furthermore, we present DualTune, an inference framework that leverages the LoRA adapters created using decoupled fine-tuning to perform efficient agent orchestration with the help of local models on end-user devices. DualTune decomposes the tool-call generation step into tool selection and argument generation, and dynamically loads the corresponding LoRA adapters to generate tool calls. Additionally, DualTune implements hierarchical orchestration to restrict the number of tools required for tool selection. Our experiments on the MCP-Bench benchmark demonstrate that the Qwen-2.5-7B model trained using decoupled fine-tuning improves the tool calling accuracy of the base model by 46%, and outperforms other local reasoning, non-reasoning and fine-tuned models of similar size in all cases, and models that are 2x larger, in most cases.

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

Tool-augmented large language models (LLMs) have achieved remarkable progress in tackling a broad range of tasks. However, existing methods are mainly restricted to specifically designed tools and fail to fulfill complex instructions, having great limitations when confronted with real-world scenarios. In this paper, we explore a more realistic scenario by connecting LLMs with RESTful APIs, which adhere to the widely adopted REST software architectural style for web service development. To address the practical challenges of tackling complex instructions, we propose RestGPT, which exploits the power of LLMs and conducts a coarse-to-fine online planning mechanism to enhance the abilities of task decomposition and API selection. RestGPT also contains an API executor tailored for calling RESTful APIs, which can meticulously formulate parameters and parse API responses. To fully evaluate the performance of RestGPT, we propose RestBench, a high-quality benchmark which consists of two real-world scenarios and human-annotated instructions with gold solution paths. Experiments show that RestGPT is able to achieve impressive results in complex tasks and has strong robustness, which paves a new way towards AGI. RestGPT and RestBench is publicly available at https://restgpt.github.io/.

Recent developments in retrieval-augmented generation (RAG) for selecting relevant tools from a tool knowledge base enable LLM agents to scale their complex tool calling capabilities to hundreds or thousands of external tools, APIs, or agents-as-tools. However, traditional RAG-based tool retrieval fails to capture structured dependencies between tools, limiting the retrieval accuracy of a retrieved tool's dependencies. For example, among a vector database of tools, a "get stock price" API requires a "stock ticker" parameter from a "get stock ticker" API, and both depend on OS-level internet connectivity tools. In this paper, we address this limitation by introducing Graph RAG-Tool Fusion, a novel plug-and-play approach that combines the strengths of vector-based retrieval with efficient graph traversal to capture all relevant tools (nodes) along with any nested dependencies (edges) within the predefined tool knowledge graph. We also present ToolLinkOS, a new tool selection benchmark of 573 fictional tools, spanning over 15 industries, each with an average of 6.3 tool dependencies. We demonstrate that Graph RAG-Tool Fusion achieves absolute improvements of 71.7% and 22.1% over na\"ive RAG on ToolLinkOS and ToolSandbox benchmarks, respectively (mAP@10). ToolLinkOS dataset is available at https://github.com/EliasLumer/Graph-RAG-Tool-Fusion-ToolLinkOS

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.

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

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

Agentic AI architectures augment LLMs with external tools, unlocking strong capabilities but potentially incurring substantial costs. Moreover, tool use is not always beneficial: redundant or low-utility calls can even harm task performance. Effective tool use, therefore, hinges on a core LLM decision: whether to call or not call a tool when performing a task. We introduce a principled framework inspired by decision-making theory to understand tool-use decisions along three key factors: necessity, utility, and affordability. Our analysis combines two complementary lenses: a normative perspective that infers true need and utility for optimal tool calls, and a descriptive perspective that infers the model's self-perceived need and utility from their observed behaviors. We evaluate six open models and a proprietary OpenAI model across native and customized harnesses, two tools, and six tasks. Models' perceived need and utility remain misaligned with their true values, particularly under budget constraints. This misalignment produces both costly overuse and performance-degrading calls. To improve the tool decisions, we train lightweight latent estimators of need (LNEs) from model hidden states. LNEs generally predict true need more accurately than model self-reports and improve budgeted tool allocation across model scales and tool types. Code and dataset available at https://github.com/QinyuanWu0710/ToCall_or_NotToCall.

Large language model (LLM) agents integrated with external tools are vulnerable to indirect prompt injections embedded in environmental states. However, existing studies largely rely on manually implemented or reused environments, stochastic LLM-based tool simulation, and predefined injection locations, limiting scalable security research across broader domains. To bridge this gap, we propose **ToolHazard**, a scalable adversarial environment synthesis framework that reduces human engineering and supports expansion with additional seed domains and compute. Through an Environment Simulator, an Attacker Agent, and a User Simulator, ToolHazard synthesizes executable stateful environments, discovers viable injection points and generates environment-specific payloads, and constructs state-grounded long-horizon tasks. Based on ToolHazard, we build **ToolHazard-Bench** for stress-testing agents under complex workflows and diverse environmental attacks. Experiments reveal substantial agent vulnerabilities and show that injection timing and placement affect attack effectiveness. Moreover, ToolHazard-generated alignment data improves security on both ToolHazard-Bench and AgentDojo while preserving benign task utility.

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

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.

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.

Parametric retrieval enables LLMs to retrieve tools implicitly by assigning each API a unique virtual token and training the model to generate it via constrained beam search. Toolsense shows that this regime has two critical drawbacks: it destroys parametric tool knowledge during training, and its beam-search decoding is too slow for real-time deployment. We introduce TRACE (Tool Retrieval via Augmented Chain-of-thought and Enterprise rules), a two-stage curriculum that resolves this dissociation. Stage 1 reuses the multi-format memorization SFT from ToolSense to seed tool knowledge with LoRA. Stage 2 is our core contribution: the model is trained to emit a thinking trace before producing a JSON list of tool tokens, using two data sources -- RRB pairs from ToolSense and queries synthesized to target business rules curated by domain experts -- both augmented with reasoning traces. This training objective preserves Stage 1 MCQ and QA probing accuracy while enabling single-beam greedy decoding at production latency. Evaluated on a combined enterprise catalog of 8,300+ tools across two enterprise product lines, TRACE training for Stage 2 not only preserves but improves tool understanding: MCQ accuracy gains +3.2 pp and QA probing gains +9 pp over Stage 1. On retrieval, TRACE achieves ~86% recall on Domain A and ~60% on Domain B -- compared to embedding baseline performance of ~27% & ~52% -- both with single-beam greedy decoding, making it directly deployable at production latency.

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.

Language models (LMs) exhibit remarkable abilities to solve new tasks from just a few examples or textual instructions, especially at scale. They also, paradoxically, struggle with basic functionality, such as arithmetic or factual lookup, where much simpler and smaller models excel. In this paper, we show that LMs can teach themselves to use external tools via simple APIs and achieve the best of both worlds. We introduce Toolformer, a model trained to decide which APIs to call, when to call them, what arguments to pass, and how to best incorporate the results into future token prediction. This is done in a self-supervised way, requiring nothing more than a handful of demonstrations for each API. We incorporate a range of tools, including a calculator, a Q\&A system, two different search engines, a translation system, and a calendar. Toolformer achieves substantially improved zero-shot performance across a variety of downstream tasks, often competitive with much larger models, without sacrificing its core language modeling abilities.

As language models take on agentic roles that span calling external APIs, reading tool outputs, and acting on instructions embedded in third-party content, their attack surface expands well beyond what users type. Whether a model treats a malicious instruction the same way regardless of where it arrives has not been systematically studied. We introduce the Safety Asymmetry Score (SAS), which measures how much a model's susceptibility to adversarial content shifts depending on whether that content arrives in the user message, tool metadata, or tool output, using matched payload pairs that keep the malicious text identical and vary only the context of delivery. Evaluated across 6 production LLMs and three attack families, we find a consistent and informative asymmetry: agent-native models are substantially more vulnerable when adversarial content arrives via tool descriptions than via user messages, while general-purpose models show the reverse. This asymmetry further inverts when the same content is delivered through tool outputs rather than descriptions, suggesting models implicitly treat tool metadata as trusted instructions and tool results as ordinary data. A mechanistic study on Llama 3.3 70B reveals that the safety-relevant representation is causally present at mid-to-late network depths but non-linearly encoded, explaining why linear probes fail to detect it. These findings expose a systematic, channel-dependent blind spot in how current tool-using models handle adversarial content.

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.

Adapting LLM agents to domain-specific tool calling remains notably brittle under evolving interfaces. Prompt and schema engineering is easy to deploy but often fragile under distribution shift and strict parsers, while continual parameter-efficient fine-tuning improves reliability at the cost of training, maintenance, and potential forgetting. We identify a critical Lazy Agent failure mode where tool necessity is nearly perfectly decodable from mid-layer activations, yet the model remains conservative in entering tool mode, revealing a representation-behavior gap. We propose Activation Steering Adapter (ASA), a training-free, inference-time controller that performs a single-shot mid-layer intervention and targets tool domains via a router-conditioned mixture of steering vectors with a probe-guided signed gate to amplify true intent while suppressing spurious triggers. On MTU-Bench with Qwen2.5-1.5B, ASA improves strict tool-use F1 from 0.18 to 0.50 while reducing the false positive rate from 0.15 to 0.05, using only about 20KB of portable assets and no weight updates.

Developers increasingly delegate real maintenance work to product-grade coding agents, and many state tasks in their native language, in the style of a customer request rather than a curated English issue. We introduce RuBench 1.0, a benchmark of 25 tasks mined from recent fix commits in five live open-source repositories (aiohttp, aiogram, Laravel, NestJS, Fastify), each specified natively in Russian -- written from scratch, not translated -- and judged by the upstream maintainer's regression tests, which we withhold from release. All fix commits postdate the training-data cutoffs of every evaluated model. Round 1 evaluates Claude Code with Opus 4.8, Sonnet 5, and Haiku 4.5, and Codex CLI with GPT-5.5 (3 independent runs each; pass@1 with task-level uncertainty); the best configuration resolves 78.7% of tasks. Auditing full trajectories of an hors-concours configuration (Claude Code + Fable 5), we caught the product silently substituting the model on 20% of tasks via an official safeguard fallback -- evidence that the deployed product, not the model, is the unit actually measured. Version 2 adds Round 2: seven further configurations on the same frozen set under a per-configuration freshness gate -- the Russian-market agents SourceCraft CLI (ds, legacy) and Koda CLI (koda-pro), Antigravity with Gemini 3.1 Pro and 3.5 Flash, and Codex CLI with GPT-5.6 Sol and Luna. SourceCraft's flagship resolves 68.1% (N=23), above GPT-5.5 and both Gemini rows. A tool-call contamination re-audit of all 437 Round-2 trajectories finds the Russian and Gemini columns clean (0/293 cells) while flagging systematic oracle-hunting in the GPT-5.6 family (8/69 and 13/75 cells), including one case of mining a prior round's artifacts from the run machine's disk; honest scores are published alongside raw ones. We release statements, metadata, trajectories, and diffs; oracles are withheld with a SHA-256 manifest.

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

The Model Context Protocol (MCP) standardizes how large language model (LLM) agents discover, describe, and call external tools. While MCP unlocks broad interoperability, it also enlarges the attack surface by making tools first-class, composable objects with natural-language metadata, and standardized I/O. We present MSB (MCP Security Benchmark), the first end-to-end evaluation suite that systematically measures how well LLM agents resist MCP-specific attacks throughout the full tool-use pipeline: task planning, tool invocation, and response handling. MSB contributes: (1) a taxonomy of 12 attacks including name-collision, preference manipulation, prompt injections embedded in tool descriptions, out-of-scope parameter requests, user-impersonating responses, false-error escalation, tool-transfer, retrieval injection, and mixed attacks; (2) an evaluation harness that executes attacks by running real tools (both benign and malicious) via MCP rather than simulation; and (3) a robustness metric that quantifies the trade-off between security and performance: Net Resilient Performance (NRP). We evaluate nine popular LLM agents across 10 domains and 405 tools, producing 2,000 attack instances. Results reveal the effectiveness of attacks against each stage of MCP. Models with stronger performance are more vulnerable to attacks due to their outstanding tool calling and instruction following capabilities. MSB provides a practical baseline for researchers and practitioners to study, compare, and harden MCP agents. Code: https://github.com/dongsenzhang/MSB

Large language models (LLMs) have limitations in handling tasks that require real-time access to external APIs. While several benchmarks like ToolBench and APIGen have been developed to assess LLMs' API-use capabilities, they often suffer from issues such as lack of generalizability, limited multi-step reasoning coverage, and instability due to real-time API fluctuations. In this paper, we introduce SEAL, an end-to-end testbed designed to evaluate LLMs in real-world API usage. SEAL standardizes existing benchmarks, integrates an agent system for testing API retrieval and planning, and addresses the instability of real-time APIs by introducing a GPT-4-powered API simulator with caching for deterministic evaluations. Our testbed provides a comprehensive evaluation pipeline that covers API retrieval, API calls, and final responses, offering a reliable framework for structured performance comparison in diverse real-world scenarios. SEAL is publicly available, with ongoing updates for new benchmarks.

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.

Language-model agents read attacker-writable context to solve tasks. Tool execution needs a separate authority check for protected sink fields, sink-interpreted payloads, and the invocation event. Context-to-Execution Integrity (CXI) is an execution-boundary system for this setting. Policies mark protected sink fields, typed releases carry narrow validated values from writable context to specific destinations, opaque data slots keep evidence as data, and a deterministic gate admits a call only after field authority, exact-effect authorization, and invocation authority all bind to the same action manifest. We evaluate CXI on open-weight field-projection runs, AgentDojo live episodes, a code-agent exact-effect benchmark, manifest-bound ledger faults, proposal-pressure controls, and hosted/API compatibility traces. AgentDojo covers 720 live episodes and 1,739 LLM calls; the code-agent benchmark covers 400 repository episodes with exact-effect authorization and lease-bound execution, yielding 231 safe task completions and zero observed field, effect, or invocation escapes. The accounting reports parser outcomes, authorization outcomes, and task-quality outcomes together with the admission-integrity result. Across the evaluated sinks, CXI admits execution only when field, effect, and invocation authority bind to the same action manifest.

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%.

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.

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.

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.

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.

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.

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.

As LLM agents take on offensive security work, a single out-of-scope tool call can breach a client's engagement boundary, disrupt production, or void a bug-bounty finding. Unlike a fixed safety policy, the boundary that matters is declared in the user's request and must be inferred from intent. That challenge is sharpened by the adversarial nature of offensive security: the same tool call is in or out of scope depending not on the action itself but on the target it touches and the context in which it runs, which no fixed policy can enumerate in advance. We study pre-execution gating: a cheap, trusted LLM judge inspects each call proposed by a strong, swappable agent, and accepts or rejects it before it runs. We introduce ScopeJudge, a benchmark of 4,897 tool calls (7.7% scope violations) from agent trajectories on tasks engineered to tempt agents out of scope and labeled at the call level by professional penetration testers, with substantial inter-grader agreement (Fleiss kappa = 0.64) that sets an expert agreement reference point of F1 = 0.78. We evaluate eight judge models under five transcript strategies, varying how much context the judge sees, from the static policy alone to the full raw transcript, and chart the resulting cost-accuracy Pareto frontier. We find that a static policy is structurally insufficient for scope enforcement: blind to the user's request, judge recall collapses to near zero, confirming that scope lives in the request and that request-conditioned monitoring is necessary. Because a missed violation costs more than a spurious rejection, we report precision, recall, and F1 separately and recommend two operating points: a cost-sensitive configuration and a recall-first one for high-stakes deployments. We release the ScopeJudge dataset to support real-time monitoring and scalable oversight of autonomous security agents.

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

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

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.

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.

Developers today use significant amounts of open source code, surfacing the need for ways to automatically audit and upgrade library dependencies, and giving rise to the subfield of Software Composition Analysis (SCA). SCA products are concerned with three tasks: discovering dependencies, checking the reachability of vulnerable code for false positive elimination, and automated remediation. The latter two tasks rely on call graphs of application and library code to check whether vulnerability-specific sinks identified in libraries are used by applications. However, statically-constructed call graphs introduce both false positives and false negatives on real-world projects. In this paper, we develop a novel, modular means of combining call graphs derived from both static and dynamic analysis to improve the performance of false positive elimination. Our experiments indicate significant performance improvements.

The tool-using capability of large language models (LLMs) enables them to access up-to-date external information and handle complex tasks. Current approaches to enhancing this capability primarily rely on distilling advanced models by data synthesis. However, this method incurs significant costs associated with advanced model usage and often results in data compatibility issues, led by the high discrepancy in the knowledge scope between the advanced model and the target model. To address these challenges, we propose ToolACE-DEV, a self-improving framework for tool learning. First, we decompose the tool-learning objective into sub-tasks that enhance basic tool-making and tool-using abilities. Then, we introduce a self-evolving paradigm that allows lightweight models to self-improve, reducing reliance on advanced LLMs. Extensive experiments validate the effectiveness of our approach across models of varying scales and architectures.

We introduce API Pack, a multilingual dataset featuring over one million instruction-API call pairs aimed at advancing large language models' API call generation capabilities. Through experiments, we demonstrate API Pack's efficacy in enhancing models for this specialized task while maintaining their overall proficiency at general coding. Fine-tuning CodeLlama-13B on just 20,000 Python instances yields over 10% and 5% higher accuracy than GPT-3.5 and GPT-4 respectively in generating unseen API calls. Scaling to 100k examples improves generalization to new APIs not seen during training. In addition, cross-lingual API call generation is achieved without needing extensive data per language. The dataset, fine-tuned models, and overall code base are publicly available at https://github.com/zguo0525/API-Pack.

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

Application Programming Interfaces (APIs) facilitate the integration of third-party dependencies within the code of client applications. However, changes to an API, such as deprecation, modification of parameter names or types, or complete replacement with a new API, can break existing client code. These changes are called breaking dependency updates; It is often tedious for API users to identify the cause of these breaks and update their code accordingly. In this paper, we explore the use of Large Language Models (LLMs) to automate client code updates in response to breaking dependency updates. We evaluate our approach on the BUMP dataset, a benchmark for breaking dependency updates in Java projects. Our approach leverages LLMs with advanced prompts, including information from the build process and from the breaking dependency analysis. We assess effectiveness at three granularity levels: at the build level, the file level, and the individual compilation error level. We experiment with five LLMs: Google Gemini-2.0 Flash, OpenAI GPT4o-mini, OpenAI o3-mini, Alibaba Qwen2.5-32b-instruct, and DeepSeek V3. Our results show that LLMs can automatically repair breaking updates. Among the considered models, OpenAI's o3-mini is the best, able to completely fix 27% of the builds when using prompts that include contextual information such as the buggy line, API differences, error messages, and step-by-step reasoning instructions. Also, it fixes 78% of the individual compilation errors. Overall, our findings demonstrate the potential for LLMs to fix compilation errors due to breaking dependency updates, supporting developers in their efforts to stay up-to-date with changes in their dependencies.

Model hosting hubs (e.g., Hugging Face) are vulnerable to supply chain attacks that enable remote code execution on trusted user environments. Attackers often distribute malicious Pre-trained ML models (PTMs) via model hubs. In this paper, we present novel attacks against PTMs and model hubs called SHADOWPICKLE. SHADOWPICKLE includes three (3) stealthy pickle deserialization attacks that enable malicious behaviors and evade state-of-the-art (SOTA) model scanners. These attacks leverage the external module import mechanism of the Pickle Virtual Machine (VM) to execute malicious payloads during deserialization. Additionally, we provide PICKLEBENCH, a dynamic and extensible benchmark for automatically injecting SHADOWPICKLE into arbitrary benign PTM models. Our evaluation shows that SHADOWPICKLE evades ten SOTA scanners, and four model hubs. SHADOWPICKLE (Overwritten) has a 63% evasion rate across scanners, and up to 50% higher evasion rates than existing attacks. Besides, PICKLEBENCH is up to 25.6% more challenging than three SOTA benchmarks. Finally, we provide security recommendations for mitigating our attacks and improving the effectiveness of existing scanners. Our findings highlight the limitations of existing PTM scanners and suggest directions for improvements.

Although current Large Language Models (LLMs) exhibit impressive capabilities, performing complex real-world tasks still requires tool learning. Mainstream methods, such as CoT/ReAct, rely on step-by-step tool invocation to interact with external environments, but they are limited in perceptual scope and lack adequate task-planning capability. To address these limitations, other studies introduce the first Search-based Decision Tree (DFSDT), which still suffers from the high computational cost. In this paper, we introduce a novel parallel tool invocation paradigm, DTA-Llama (Divide-Then-Aggregate Llama). First, we transform traditional tree-based tool search paths into Directed Acyclic Graph (DAG) structure, generating a high-quality parallel tool invocation dataset. The DTA-Llama is then trained on the dataset to learn to iteratively divide the current task into several parallel tool invocation sub-tasks and aggregate the invocation results to decide the next actions. Furthermore, we introduce an efficient inference framework inspired by the Process/Threads mechanism when applying the DTA-Llama to practical tasks. Experimental results show that our approach substantially enhances task performance while reducing token consumption and inference time. Llama2-7B, using our method, is comparable to the official parallel function calling method of GPT-3.5. The relevant code, dataset, and model weights are available at https://corn0205.github.io/

We introduce a red-teaming methodology that exposes harder-to-catch attacks for coding-agent monitors, suggesting that current practices may under-elicit attacks and overstate monitor performance. We identify three challenges with current red-teaming. First, mode collapse in attack generation, which we reduce with a novel attack taxonomy for broader coverage. Second, a conceive-execute gap: frontier LLMs can propose strong attack ideas or execute them, but not all at once. We mitigate this by decomposing attack construction into strategy generation, execution, and post-hoc trajectory refinement. Third, manual elicitation is costly to scale, which we address with our semi-automated red-teaming pipeline. Applied to BashArena, an AI control setting for tool-using coding agents, this pipeline produces MonitoringBench, a benchmark of 2,644 attack trajectories for evaluating monitor capabilities and failure modes. Our pipeline produces more diverse and stronger attacks: Opus-4.5 monitor's catch rate falls from 94.9\% on elicited-only Opus attacks to 60.3\% on our best refined attacks, with larger drops for several mid-tier monitors. Attacks optimized against three development monitors generalize to ten held-out monitors, with catch rates generally increasing with monitor capability. Using this benchmark, we provide a snapshot of the current monitor capabilities and find that frontier monitors often detect suspicious actions but fall for persuasion or fail to calibrate suspiciousness scores appropriately, suggesting tractable paths for improvement. MonitoringBench provides both a static benchmark for current tool-use monitors and a reusable methodology for refreshing these evaluations as agents and monitors improve.

Since the introduction of the Model Context Protocol (MCP), the number of available tools for Large Language Models (LLMs) has increased significantly. These task-specific tool sets offer an alternative to general-purpose tools such as web browsers, while being easier to develop and maintain than GUIs. However, current general-purpose agents predominantly rely on web browsers for interacting with the environment. Here, we introduce TheMCPCompany, a benchmark for evaluating tool-calling agents on tasks that involve interacting with various real-world services. We use the REST APIs of these services to create MCP servers, which include over 18,000 tools. We also provide manually annotated ground-truth tools for each task. In our experiments, we use the ground truth tools to show the potential of tool-calling agents for both improving performance and reducing costs assuming perfect tool retrieval. Next, we explore agent performance using tool retrieval to study the real-world practicality of tool-based agents. While all models with tool retrieval perform similarly or better than browser-based agents, smaller models cannot take full advantage of the available tools through retrieval. On the other hand, GPT-5's performance with tool retrieval is very close to its performance with ground-truth tools. Overall, our work shows that the most advanced reasoning models are effective at discovering tools in simpler environments, but seriously struggle with navigating complex enterprise environments. TheMCPCompany reveals that navigating tens of thousands of tools and combining them in non-trivial ways to solve complex problems is still a challenging task for current models and requires both better reasoning and better retrieval models.

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 model attacks typically assume one of two extreme threat models: full white-box access to model weights, or black-box access limited to a text generation API. However, real-world APIs are often more flexible than just text generation: these APIs expose "gray-box" access leading to new threat vectors. To explore this, we red-team three new functionalities exposed in the GPT-4 APIs: fine-tuning, function calling and knowledge retrieval. We find that fine-tuning a model on as few as 15 harmful examples or 100 benign examples can remove core safeguards from GPT-4, enabling a range of harmful outputs. Furthermore, we find that GPT-4 Assistants readily divulge the function call schema and can be made to execute arbitrary function calls. Finally, we find that knowledge retrieval can be hijacked by injecting instructions into retrieval documents. These vulnerabilities highlight that any additions to the functionality exposed by an API can create new vulnerabilities.

Tool-integrated reasoning has emerged as a key focus for enabling agentic applications. Among these, DeepResearch Agents have gained significant attention for their strong performance on complex, open-ended information-seeking tasks. We introduce Fathom-DeepResearch, an agentic system composed of two specialized models. The first is Fathom-Search-4B, a DeepSearch model trained from Qwen3-4B and optimized for evidence-based investigation through live web search and targeted webpage querying. Its training combines three advances: (i) DUETQA, a 5K-sample dataset generated via multi-agent self-play that enforces strict web-search dependence and heterogeneous source grounding; (ii) RAPO, a zero-overhead extension of GRPO that stabilizes multi-turn Reinforcement Learning with Verifiable Rewards through curriculum pruning, reward-aware advantage scaling, and per-prompt replay buffers; and (iii) a steerable step-level reward that classifies each tool call by cognitive behavior and marginal utility, enabling explicit control over search trajectory breadth, depth, and horizon. These improvements enable reliable extension of tool-calling beyond 20 calls when warranted. The second is Fathom-Synthesizer-4B, trained from Qwen3-4B, which converts multi-turn DeepSearch traces into structured, citation-dense DeepResearch Reports for comprehensive synthesis. Evaluated on DeepSearch benchmarks (SimpleQA, FRAMES, WebWalker, Seal0, MuSiQue) and DeepResearch-Bench, the system achieves state-of-the-art performance in the open-weights category while demonstrating strong generalization to diverse reasoning tasks including HLE, AIME-25, GPQA-Diamond, and MedQA.

LLM-based agents are becoming increasingly capable, yet their safety lags behind. This creates a gap between what agents can do and should do. This gap widens as agents engage in multi-turn interactions and employ diverse tools, introducing new risks overlooked by existing benchmarks. To systematically scale safety testing into multi-turn, tool-realistic settings, we propose a principled taxonomy that transforms single-turn harmful tasks into multi-turn attack sequences. Using this taxonomy, we construct MT-AgentRisk (Multi-Turn Agent Risk Benchmark), the first benchmark to evaluate multi-turn tool-using agent safety. Our experiments reveal substantial safety degradation: the Attack Success Rate (ASR) increases by 16% on average across open and closed models in multi-turn settings. To close this gap, we propose ToolShield, a training-free, tool-agnostic, self-exploration defense: when encountering a new tool, the agent autonomously generates test cases, executes them to observe downstream effects, and distills safety experiences for deployment. Experiments show that ToolShield effectively reduces ASR by 30% on average in multi-turn interactions. Our code is available at https://github.com/CHATS-lab/ToolShield.

Function calling significantly extends the application boundary of large language models, where high-quality and diverse training data is critical for unlocking this capability. However, real function-calling data is quite challenging to collect and annotate, while synthetic data generated by existing pipelines tends to lack coverage and accuracy. In this paper, we present ToolACE, an automatic agentic pipeline designed to generate accurate, complex, and diverse tool-learning data. ToolACE leverages a novel self-evolution synthesis process to curate a comprehensive API pool of 26,507 diverse APIs. Dialogs are further generated through the interplay among multiple agents, guided by a formalized thinking process. To ensure data accuracy, we implement a dual-layer verification system combining rule-based and model-based checks. We demonstrate that models trained on our synthesized data, even with only 8B parameters, achieve state-of-the-art performance on the Berkeley Function-Calling Leaderboard, rivaling the latest GPT-4 models. Our model and a subset of the data are publicly available at https://huggingface.co/Team-ACE.

Tool-augmented vision-language agents can acquire external perceptual evidence through OCR, detection, segmentation, and other tools, but executing every proposed tool call is costly and sometimes unnecessary. We study the pre-call control problem: after a ReAct-style VLM agent proposes a perceptual tool call, should the call be executed, or skipped before its output enters the context? Across five benchmarks, we find that the baseline agent exhibits poor local selectivity: helpful and harmful calls occur at similar rates (11.8% vs. 9.9%), while most calls do not change the immediate forced-answer prediction. We introduce ToolGate, a lightweight external controller that predicts execute/skip decisions from trajectory text and simple structural features. Across two Qwen3-VL backbones, ToolGate reduces token cost to 64-69% of the unrestricted ReAct baseline while preserving average accuracy in cross-domain settings. With matched-domain trajectory training on Qwen3-VL-30B, it further improves average accuracy by 1.65 points. These results show that tool-augmented VLM agents benefit not only from better perceptual tools, but also from explicit control over when tool outputs are worth paying for.

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

Large language models increasingly operate as autonomous agents that select and invoke tools from large registries. We identify a critical gap: when unauthorized tools are visible in an agent's context, models select them in adversarial scenarios -- even when explicitly instructed otherwise. We propose a governed MCP proxy that enforces attribute-based access control (ABAC) at two points: tool discovery, where unauthorized tools are removed from the model's context window, and tool invocation, where a second check blocks any unauthorized call. Across three models (Qwen 2.5 7B, Llama 3.1 8B, Claude Haiku 3.5) and 150 adversarial tasks spanning four attack categories, our proxy reduces unauthorized invocation rate (UIR) to 0% while adding under 50ms median latency. Prompt-based restrictions reduce UIR by only 11--18 percentage points, leaving substantial residual risk. Our results show that architectural enforcement -- not prompting -- is necessary for reliable tool access control in deployed agentic systems.

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

Recent advances in large language models (LLMs) have enabled autonomous agents with complex reasoning and task-fulfillment capabilities using a wide range of tools. However, effectively identifying the most relevant tools for a given task becomes a key bottleneck as the toolset size grows, hindering reliable tool utilization. To address this, we introduce Re-Invoke, an unsupervised tool retrieval method designed to scale effectively to large toolsets without training. Specifically, we first generate a diverse set of synthetic queries that comprehensively cover different aspects of the query space associated with each tool document during the tool indexing phase. Second, we leverage LLM's query understanding capabilities to extract key tool-related context and underlying intents from user queries during the inference phase. Finally, we employ a novel multi-view similarity ranking strategy based on intents to pinpoint the most relevant tools for each query. Our evaluation demonstrates that Re-Invoke significantly outperforms state-of-the-art alternatives in both single-tool and multi-tool scenarios, all within a fully unsupervised setting. Notably, on the ToolE datasets, we achieve a 20% relative improvement in nDCG@5 for single-tool retrieval and a 39% improvement for multi-tool retrieval.

Hybrid computer-use agents can act through screenshots or call text tools. We find that having a tool available does not settle which way the effect goes. Under one identical GUI-MCP harness on the OSWorld-MCP benchmark (309 tasks), the same MCP tools improve a reasoning model by +4.0pp and degrade a non-reasoning model by -5.9pp (5 runs each, both beyond 2 SE). What separates the two is tool-decision behavior. The non-reasoning policy ignores, misnames, or falsely terminates around tools. The reasoning model avoids these failures, yet still calls a tool on only 55/309 tasks, 23.9% of the tool-reachable ones. We call this shortfall the adoption gap. Both levels of the problem share one cause: the model already has a cheaper route and is never trained to take it. Multi-turn RL probes that cause. At the action level, a dense tool bonus raises spreadsheet adoption 0.03 -> 0.33 and carries into greedy decoding, but held-out accuracy does not follow. Behavior is steerable; competence is not. The bottleneck lies in tool-call semantics. At the context level, a successful tool call often makes the next screenshot redundant. Dropping it and halving image history cuts input tokens by about a third, at a small accuracy cost. Retraining under the same observation rule removes that cost. The compressed agent then reaches 37.8% against 33.0% for the uncompressed operating point, at 53% of the input cost, and closes the rich-lean gap on a pre-registered degraded subset to zero. Tools help when the model chooses and integrates them, and current hybrid agents leave many such choices unused. Code and checkpoints: https://github.com/redai-infra/hybrid-routing-agent

Large language models have demonstrated exceptional performance, yet struggle with complex tasks such as numerical reasoning, plan generation. Integrating external tools, such as calculators and databases, into large language models (LLMs) is crucial for enhancing problem-solving capabilities. Current methods assign a unique token to each tool, enabling LLMs to call tools through token prediction-similar to word generation. However, this approach fails to account for the relationship between tool and word tokens, limiting adaptability within pre-trained LLMs. To address this issue, we propose a novel token learning method that aligns tool tokens with the existing word embedding space from the perspective of initialization, thereby enhancing model performance. We begin by constructing prior token embeddings for each tool based on the tool's name or description, which are used to initialize and regularize the learnable tool token embeddings. This ensures the learned embeddings are well-aligned with the word token space, improving tool call accuracy. We evaluate the method on tasks such as numerical reasoning, knowledge-based question answering, and embodied plan generation using GSM8K-XL, FuncQA, KAMEL, and VirtualHome datasets. The results demonstrate clear improvements over recent baselines, including CoT, REACT, ICL, and ToolkenGPT, indicating that our approach effectively augments LLMs with tools through relevant tokens across diverse domains.

The agent--tool interaction loop is a critical attack surface for modern Large Language Model (LLM) agents. Existing denial-of-service (DoS) attacks typically function at the user-prompt or retrieval-augmented generation (RAG) context layer and are inherently single-turn in nature. This limitation restricts cost amplification and diminishes stealth in goal-oriented workflows. To address these issues, we proposed a stealthy, multi-turn economic DoS attack at the tool layer under the Model Context Protocol (MCP). By simply editing text-visible fields and implementing a template-driven return policy, our malicious server preserves function signatures and the terminal benign payload while steering agents into prolonged, verbose tool-calling chains. We optimize these text-only edits with Monte Carlo Tree Search (MCTS) to maximize cost under a task-success constraint. Across six LLMs on ToolBench and BFCL benchmarks, our attack yields trajectories over 60K tokens, increases per-query cost by up to 658 times, raises energy by 100 to 560 times, and pushes GPU key-value (KV) cache occupancy to 35--74%. Standard prompt filters and output trajectory monitors seldom detect these attacks, highlighting the need for defenses that safeguard agentic processes rather than focusing solely on final outcomes. We will release the code soon.

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.

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.

Agentic systems integrate LLM driven planning with interfaces to external tools, making data leakage and tool misuse feasible via instruction/data boundary failures and prompt injection attacks. Enforcing required controls consistently is particularly challenging in workflows spanning many codebases and heterogeneous agents. To address this challenge in multi agentic systems, we present a pre-deployment pipeline for scanning, hardening, and validation of agentic applications. The pipeline analyzes prompt templates, tool interfaces, and tool-invocation code to identify leakage-enabling patterns and generate actionable patches. The hardened application is then validated through adversarial prompt injection attacks and benign input variations ensuring that mitigations do not disrupt intended behavior. In the hardening stage, high-risk tools are prioritized, and minimally invasive mitigations are applied, including schema tightening, boundary sanitization, allowlist-based tool gating, and least-privilege checks. In the validation stage, the pipeline automatically generates attack inputs that mimic jailbreaks, instruction overrides, and tool-targeted manipulation, along with benign task variants, to confirm that the functionality of the hardened application is preserved after remediation. We evaluated the pipeline on five real-world agentic applications, as well as on the AgentDojo benchmark. Across all applications, the proposed pipeline identified recurring leakage-enabling patterns and generated patches that can be integrated without disrupting the intended application behavior. The resulting modifications of application code were shown to eliminate leaks when targeted by basic jailbreak and instruction-override attacks, achieving a 100% reduction in leakage, and reduce leaks by 91% under conditions of stress-induced manipulation, without the need of continuous runtime policy enforcement.

As large language models (LLMs) advance, their inability to autonomously execute tasks by directly interacting with external tools remains a critical limitation. Traditional methods rely on inputting tool descriptions as context, which is constrained by context length and requires separate, often inefficient, retrieval mechanisms. We introduce ToolGen, a paradigm shift that integrates tool knowledge directly into the LLM's parameters by representing each tool as a unique token. This enables the LLM to generate tool calls and arguments as part of its next token prediction capabilities, seamlessly blending tool invocation with language generation. Our framework allows the LLM to access and utilize a vast amount of tools with no additional retrieval step, significantly enhancing both performance and scalability. Experimental results with over 47,000 tools show that ToolGen not only achieves superior results in both tool retrieval and autonomous task completion but also sets the stage for a new era of AI agents that can adapt to tools across diverse domains. By fundamentally transforming tool retrieval into a generative process, ToolGen paves the way for more versatile, efficient, and autonomous AI systems. ToolGen enables end-to-end tool learning and opens opportunities for integration with other advanced techniques such as chain-of-thought and reinforcement learning, thereby expanding the practical capabilities of LLMs.

Self-evolving LLM agents update their internal state across sessions, often by writing and reusing long-term memory. This design improves performance on long-horizon tasks but creates a security risk: untrusted external content observed during a benign session can be stored as memory and later treated as instruction. We study this risk and formalize a persistent attack we call a Zombie Agent, where an attacker covertly implants a payload that survives across sessions, effectively turning the agent into a puppet of the attacker. We present a black-box attack framework that uses only indirect exposure through attacker-controlled web content. The attack has two phases. During infection, the agent reads a poisoned source while completing a benign task and writes the payload into long-term memory through its normal update process. During trigger, the payload is retrieved or carried forward and causes unauthorized tool behavior. We design mechanism-specific persistence strategies for common memory implementations, including sliding-window and retrieval-augmented memory, to resist truncation and relevance filtering. We evaluate the attack on representative agent setups and tasks, measuring both persistence over time and the ability to induce unauthorized actions while preserving benign task quality. Our results show that memory evolution can convert one-time indirect injection into persistent compromise, which suggests that defenses focused only on per-session prompt filtering are not sufficient for self-evolving agents.

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.

Recent advancements in Large Language Models (LLMs) and the introduction of the Model Context Protocol (MCP) have significantly expanded LLM agents' capability to interact dynamically with external tools and APIs. However, existing tool selection frameworks do not integrate MCP servers, instead relying heavily on error-prone manual updates to monolithic local tool repositories, leading to duplication, inconsistencies, and inefficiencies. Additionally, current approaches abstract tool selection before the LLM agent is invoked, limiting its autonomy and hindering dynamic re-querying capabilities during multi-turn interactions. To address these issues, we introduce ScaleMCP, a novel tool selection approach that dynamically equips LLM agents with a MCP tool retriever, giving agents the autonomy to add tools into their memory, as well as an auto-synchronizing tool storage system pipeline through CRUD (create, read, update, delete) operations with MCP servers as the single source of truth. We also propose a novel embedding strategy, Tool Document Weighted Average (TDWA), designed to selectively emphasize critical components of tool documents (e.g. tool name or synthetic questions) during the embedding process. Comprehensive evaluations conducted on a created dataset of 5,000 financial metric MCP servers, across 10 LLM models, 5 embedding models, and 5 retriever types, demonstrate substantial improvements in tool retrieval and agent invocation performance, emphasizing ScaleMCP's effectiveness in scalable, dynamic tool selection and invocation.

Achieving natural full-duplex interaction in spoken dialogue systems (SDS) remains a challenge due to the difficulty of accurately detecting user interruptions. Current solutions are polarized between "trigger-happy" VAD-based methods that misinterpret backchannels and robust end-to-end models that exhibit unacceptable response delays. Moreover, the absence of real-world benchmarks and holistic metrics hinders progress in the field. This paper presents a comprehensive frame-work to overcome these limitations. We first introduce SID-Bench, the first benchmark for semantic-aware interruption detection built entirely from real-world human dialogues. To provide a rigorous assessment of the responsiveness-robustness trade-off, we propose the Average Penalty Time (APT) metric, which assigns a temporal cost to both false alarms and late responses. Building on this framework, we design an LLM-based detection model optimized through a novel training paradigm to capture subtle semantic cues of intent. Experimental results show that our model significantly outperforms mainstream baselines, achieving a nearly threefold reduction in APT. By successfully resolving the long-standing tension between speed and stability, our work establishes a new state-of-the-art for intelligent interruption handling in SDS. To facilitate future research, SID-Bench and the associated code are available at: https://github.com/xkx-hub/SID-bench.

Large reasoning models have demonstrated strong problem-solving abilities, yet real-world tasks often require external tools and long-horizon interactions. Existing agent frameworks typically follow predefined workflows, which limit autonomous and global task completion. In this paper, we introduce DeepAgent, an end-to-end deep reasoning agent that performs autonomous thinking, tool discovery, and action execution within a single, coherent reasoning process. To address the challenges of long-horizon interactions, particularly the context length explosion from multiple tool calls and the accumulation of interaction history, we introduce an autonomous memory folding mechanism that compresses past interactions into structured episodic, working, and tool memories, reducing error accumulation while preserving critical information. To teach general-purpose tool use efficiently and stably, we develop an end-to-end reinforcement learning strategy, namely ToolPO, that leverages LLM-simulated APIs and applies tool-call advantage attribution to assign fine-grained credit to the tool invocation tokens. Extensive experiments on eight benchmarks, including general tool-use tasks (ToolBench, API-Bank, TMDB, Spotify, ToolHop) and downstream applications (ALFWorld, WebShop, GAIA, HLE), demonstrate that DeepAgent consistently outperforms baselines across both labeled-tool and open-set tool retrieval scenarios. This work takes a step toward more general and capable agents for real-world applications. The code and demo are available at https://github.com/RUC-NLPIR/DeepAgent.

LLM agents operating in open environments face escalating risks from indirect prompt injection, particularly within the tool stream where manipulated metadata and runtime feedback hijack execution flow. Existing defenses encounter a critical dilemma as advanced models prioritize injected rules due to strict alignment while static protection mechanisms sever the feedback loop required for adaptive reasoning. To reconcile this conflict, we propose VIGIL, a framework that shifts the paradigm from restrictive isolation to a verify-before-commit protocol. By facilitating speculative hypothesis generation and enforcing safety through intent-grounded verification, VIGIL preserves reasoning flexibility while ensuring robust control. We further introduce SIREN, a benchmark comprising 959 tool stream injection cases designed to simulate pervasive threats characterized by dynamic dependencies. Extensive experiments demonstrate that VIGIL outperforms state-of-the-art dynamic defenses by reducing the attack success rate by over 22\% while more than doubling the utility under attack compared to static baselines, thereby achieving an optimal balance between security and utility.

AI agents have the potential to significantly alter the cybersecurity landscape. Here, we introduce the first framework to capture offensive and defensive cyber-capabilities in evolving real-world systems. Instantiating this framework with BountyBench, we set up 25 systems with complex, real-world codebases. To capture the vulnerability lifecycle, we define three task types: Detect (detecting a new vulnerability), Exploit (exploiting a given vulnerability), and Patch (patching a given vulnerability). For Detect, we construct a new success indicator, which is general across vulnerability types and provides localized evaluation. We manually set up the environment for each system, including installing packages, setting up server(s), and hydrating database(s). We add 40 bug bounties, which are vulnerabilities with monetary awards from \10 to 30,485, covering 9 of the OWASP Top 10 Risks. To modulate task difficulty, we devise a new strategy based on information to guide detection, interpolating from identifying a zero day to exploiting a given vulnerability. We evaluate 10 agents: Claude Code, OpenAI Codex CLI with o3-high and o4-mini, and custom agents with o3-high, GPT-4.1, Gemini 2.5 Pro Preview, Claude 3.7 Sonnet Thinking, Qwen3 235B A22B, Llama 4 Maverick, and DeepSeek-R1. Given up to three attempts, the top-performing agents are Codex CLI: o3-high (12.5% on Detect, mapping to \3,720; 90% on Patch, mapping to 14,152), Custom Agent: Claude 3.7 Sonnet Thinking (67.5% on Exploit), and Codex CLI: o4-mini (90% on Patch, mapping to \$14,422). Codex CLI: o3-high, Codex CLI: o4-mini, and Claude Code are more capable at defense, achieving higher Patch scores of 90%, 90%, and 87.5%, compared to Exploit scores of 47.5%, 32.5%, and 57.5% respectively; while the custom agents are relatively balanced between offense and defense, achieving Exploit scores of 17.5-67.5% and Patch scores of 25-60%.

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.

Penetration testing, an essential component of software security testing, allows organizations to identify and remediate vulnerabilities in their systems, thus bolstering their defense mechanisms against cyberattacks. One recent advancement in the realm of penetration testing is the utilization of Language Models (LLMs). We explore the intersection of LLMs and penetration testing to gain insight into their capabilities and challenges in the context of privilege escalation. We introduce a fully automated privilege-escalation tool designed for evaluating the efficacy of LLMs for (ethical) hacking, executing benchmarks using multiple LLMs, and investigating their respective results. Our results show that GPT-4-turbo is well suited to exploit vulnerabilities (33-83% of vulnerabilities). GPT-3.5-turbo can abuse 16-50% of vulnerabilities, while local models, such as Llama3, can only exploit between 0 and 33% of the vulnerabilities. We analyze the impact of different context sizes, in-context learning, optional high-level guidance mechanisms, and memory management techniques. We discuss challenging areas for LLMs, including maintaining focus during testing, coping with errors, and finally comparing LLMs with human hackers. The current version of the LLM-guided privilege-escalation prototype can be found at https://github.com/ipa-labs/hackingBuddyGPT.

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.

The Model Context Protocol (MCP) is rapidly becoming the standard interface for Large Language Models (LLMs) to discover and invoke external tools. However, existing evaluations often fail to capture the complexity of real-world scenarios, relying on restricted toolsets, simplistic workflows, or subjective LLM-as-a-judge metrics. We introduce MCP-Atlas, a large-scale benchmark for evaluating tool-use competency, comprising 36 real MCP servers and 220 tools. It includes 1,000 tasks designed to assess tool-use competency in realistic, multi-step workflows. Tasks use natural language prompts that avoid naming specific tools or servers, requiring agents to identify and orchestrate 3-6 tool calls across multiple servers. We score tasks using a claims-based rubric that awards partial credit based on the factual claims satisfied in the model's final answer, complemented by internal diagnostics on tool discovery, parameterization, syntax, error recovery, and efficiency. Evaluation results on frontier models reveal that top models achieve pass rates exceeding 50%, with primary failures arising from inadequate tool usage and task understanding. We release the task schema, containerized harness, and a 500-task public subset of the benchmark dataset to facilitate reproducible comparisons and advance the development of robust, tool-augmented agents.

As LLM agents increasingly select tools autonomously, their choices among tools with different privileges become safety-relevant. However, prior tool-selection studies focus on safety-agnostic metadata preferences, leaving privilege-sensitive choices underexplored. To address this gap, we study over-privileged tool selection, in which an agent selects or escalates to a higher-privilege tool despite a sufficient lower-privilege alternative. We introduce ToolPrivBench to evaluate whether agents choose higher-privilege tools despite sufficient lower-privilege alternatives, measuring both initial selection and escalation after transient tool failures. Across eight domains and five recurring risk patterns, we find that over-privileged tool selection is common among mainstream LLM agents and is further amplified by transient failures. We further find that general safety alignment does not reliably transfer to least-privilege tool choice, while prompt-level controls provide only limited mitigation under transient failures. We therefore introduce a privilege-aware post-training defense that teaches agents to prefer sufficient lower-privilege tools and escalate only when necessary. Our mitigation experiments show that this defense substantially reduces unnecessary high-privilege tool use while preserving general capabilities.