Daily Papers

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.

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.

AI agent frameworks connecting large language model (LLM) reasoning to host execution surfaces--shell, filesystem, containers, and messaging--introduce security challenges structurally distinct from conventional software. We present a systematic taxonomy of 190 advisories filed against OpenClaw, an open-source AI agent runtime, organized by architectural layer and trust-violation type. Vulnerabilities cluster along two orthogonal axes: (1) the system axis, reflecting the architectural layer (exec policy, gateway, channel, sandbox, browser, plugin, agent/prompt); and (2) the attack axis, reflecting adversarial techniques (identity spoofing, policy bypass, cross-layer composition, prompt injection, supply-chain escalation). Patch-differential evidence yields three principal findings. First, three Moderate- or High-severity advisories in the Gateway and Node-Host subsystems compose into a complete unauthenticated remote code execution (RCE) path--spanning delivery, exploitation, and command-and-control--from an LLM tool call to the host process. Second, the exec allowlist, the primary command-filtering mechanism, relies on a closed-world assumption that command identity is recoverable via lexical parsing. This is invalidated by shell line continuation, busybox multiplexing, and GNU option abbreviation. Third, a malicious skill distributed via the plugin channel executed a two-stage dropper within the LLM context, bypassing the exec pipeline and demonstrating that the skill distribution surface lacks runtime policy enforcement. The dominant structural weakness is per-layer trust enforcement rather than unified policy boundaries, making cross-layer attacks resilient to local remediation.

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.

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

Large language 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.

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.

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.

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.

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.

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.

AI agents are autonomous systems that combine LLMs with external tools to solve complex tasks. While such tools extend capability, improper tool permissions introduce security risks such as indirect prompt injection and tool misuse. We characterize these failures as unbalanced tool-driven agency. Agents may retain unnecessary permissions (excessive agency) or fail to invoke required tools (insufficient agency), amplifying the attack surface and reducing performance. We introduce AgenTRIM, a framework for detecting and mitigating tool-driven agency risks without altering an agent's internal reasoning. AgenTRIM addresses these risks through complementary offline and online phases. Offline, AgenTRIM reconstructs and verifies the agent's tool interface from code and execution traces. At runtime, it enforces per-step least-privilege tool access through adaptive filtering and status-aware validation of tool calls. Evaluating on the AgentDojo benchmark, AgenTRIM substantially reduces attack success while maintaining high task performance. Additional experiments show robustness to description-based attacks and effective enforcement of explicit safety policies. Together, these results demonstrate that AgenTRIM provides a practical, capability-preserving approach to safer tool use in LLM-based agents.

With the rapid evolution of foundation models, Large Language Model (LLM) agents have demonstrated increasingly powerful tool-use capabilities. However, this proficiency introduces significant security risks, as malicious actors can manipulate agents into executing tools to generate harmful content. While existing defensive mechanisms are effective, they frequently suffer from the over-refusal problem, where increased safety strictness compromises the agent's utility on benign tasks. To mitigate this trade-off, we propose SafeHarbor, a novel framework designed to establish precise decision boundaries for LLM agents. Unlike static guidelines, SafeHarbor extracts context-aware defense rules through enhanced adversarial generation. We design a local hierarchical memory system for dynamic rule injection, offering a training-free, efficient, and plug-and-play solution. Furthermore, we introduce an information entropy-based self-evolution mechanism that continuously optimizes the memory structure through dynamic node splitting and merging. Extensive experiments demonstrate that SafeHarbor achieves state-of-the-art performance on both ambiguous benign tasks and explicit malicious attacks, notably attaining a peak benign utility of 63.6\% on GPT-4o while maintaining a robust refusal rate exceeding 93\% against harmful requests. The source code is publicly available at https://github.com/ljj-cyber/SafeHarbor.

The rise of generative AI (GenAI) multi-agent systems (MAS) necessitates standardized protocols enabling agents to discover and interact with external tools. However, these protocols introduce new security challenges, particularly; tool squatting; the deceptive registration or representation of tools. This paper analyzes tool squatting threats within the context of emerging interoperability standards, such as Model Context Protocol (MCP) or seamless communication between agents protocols. It introduces a comprehensive Tool Registry system designed to mitigate these risks. We propose a security-focused architecture featuring admin-controlled registration, centralized tool discovery, fine grained access policies enforced via dedicated Agent and Tool Registry services, a dynamic trust scoring mechanism based on tool versioning and known vulnerabilities, and just in time credential provisioning. Based on its design principles, the proposed registry framework aims to effectively prevent common tool squatting vectors while preserving the flexibility and power of multi-agent systems. This work addresses a critical security gap in the rapidly evolving GenAI ecosystem and provides a foundation for secure tool integration in production environments.

Tool-augmented LLM agents introduce security risks that extend beyond user-input filtering, including indirect prompt injection through fetched content, unsafe tool execution, credential leakage, and tampering with local control files. We present OpenClaw PRISM, a zero-fork runtime security layer for OpenClaw-based agent gateways. PRISM combines an in-process plugin with optional sidecar services and distributes enforcement across ten lifecycle hooks spanning message ingress, prompt construction, tool execution, tool-result persistence, outbound messaging, sub-agent spawning, and gateway startup. Rather than introducing a novel detection model, PRISM integrates a hybrid heuristic-plus-LLM scanning pipeline, conversation- and session-scoped risk accumulation with TTL-based decay, policy-enforced controls over tools, paths, private networks, domain tiers, and outbound secret patterns, and a tamper-evident audit and operations plane with integrity verification and hot-reloadable policy management. We outline an evaluation methodology and benchmark pipeline for measuring security effectiveness, false positives, layer contribution, runtime overhead, and operational recoverability in an agent-runtime setting, and we report current preliminary benchmark results on curated same-slice experiments and operational microbenchmarks. The system targets deployable runtime defense for real agent gateways rather than benchmark-only detection.

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

Tool-augmented 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.

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.

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.

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.

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

Tool-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.

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

Recent advancements in tool-equipped Agents (LLMs) have enabled complex tasks like secure database interactions and multi-agent code development. However, scaling tool capacity beyond agent reasoning or model limits remains a challenge. In this paper, we address these challenges by introducing Toolshed Knowledge Bases, a tool knowledge base (vector database) designed to store enhanced tool representations and optimize tool selection for large-scale tool-equipped Agents. Additionally, we propose Advanced RAG-Tool Fusion, a novel ensemble of tool-applied advanced retrieval-augmented generation (RAG) techniques across the pre-retrieval, intra-retrieval, and post-retrieval phases, without requiring model fine-tuning. During pre-retrieval, tool documents are enhanced with key information and stored in the Toolshed Knowledge Base. Intra-retrieval focuses on query planning and transformation to increase retrieval accuracy. Post-retrieval refines the retrieved tool documents and enables self-reflection. Furthermore, by varying both the total number of tools (tool-M) an Agent has access to and the tool selection threshold (top-k), we address trade-offs between retrieval accuracy, agent performance, and token cost. Our approach achieves 46%, 56%, and 47% absolute improvements on the ToolE single-tool, ToolE multi-tool and Seal-Tools benchmark datasets, respectively (Recall@5).

The capability of LLM agents to function as the ``brain'' of a system fundamentally expands the scope of analysis beyond a standalone model. Consequently, safety is no longer only about input--output content alignment. It also concerns system behavior and real-world execution outcomes. However, the current literature is fragmented across attack types, applications, and benchmarks. This makes it hard to explain why failures such as prompt injection, tool misuse, and memory poisoning often share the same structural cause, and how they spread through an agent workflow. In this survey, we treat isolation as a first-class principle for LLM-agent system safety. By isolation, we refer to the separation of user inputs, tool access, execution channels, inter-agent communication, and environment-originated context. We organize the literature with a boundary-centric taxonomy of five boundaries: user-agent, agent-tool, agent-execution, agent-agent, and system-environment. This view helps identify where the loss of isolation first occurs, how compromise propagates across boundaries, and which defenses are most relevant at each interface. We also summarize cross-boundary failure paths, discuss open challenges, and outline a research agenda for isolation-by-construction in future agent systems.

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

To deploy language models safely, it is crucial that they abstain from responding to inappropriate requests. Several prior studies test the safety promises of models based on their effectiveness in blocking malicious requests. In this work, we focus on evaluating the underlying techniques that cause models to abstain. We create SELECT, a benchmark derived from a set of benign concepts (e.g., "rivers") from a knowledge graph. Focusing on benign concepts isolates the effect of safety training, and grounding these concepts in a knowledge graph allows us to study the generalization and specificity of abstention techniques. Using SELECT, we benchmark different abstention techniques over six open-weight and closed-source models. We find that the examined techniques indeed cause models to abstain with over 80% abstention rates. However, these techniques are not as effective for descendants of the target concepts, where abstention rates drop by 19%. We also characterize the generalization-specificity trade-offs for different techniques. Overall, no single technique is invariably better than others, and our findings inform practitioners of the various trade-offs involved.

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

Leading language model (LM) providers like OpenAI and Google offer fine-tuning APIs that allow customers to adapt LMs for specific use cases. To prevent misuse, these LM providers implement filtering mechanisms to block harmful fine-tuning data. Consequently, adversaries seeking to produce unsafe LMs via these APIs must craft adversarial training data that are not identifiably harmful. We make three contributions in this context: 1. We show that many existing attacks that use harmless data to create unsafe LMs rely on eliminating model refusals in the first few tokens of their responses. 2. We show that such prior attacks can be blocked by a simple defense that pre-fills the first few tokens from an aligned model before letting the fine-tuned model fill in the rest. 3. We describe a new data-poisoning attack, ``No, Of course I Can Execute'' (NOICE), which exploits an LM's formulaic refusal mechanism to elicit harmful responses. By training an LM to refuse benign requests on the basis of safety before fulfilling those requests regardless, we are able to jailbreak several open-source models and a closed-source model (GPT-4o). We show an attack success rate (ASR) of 57% against GPT-4o; our attack earned a Bug Bounty from OpenAI. Against open-source models protected by simple defenses, we improve ASRs by an average of 3.25 times compared to the best performing previous attacks that use only harmless data. NOICE demonstrates the exploitability of repetitive refusal mechanisms and broadens understanding of the threats closed-source models face from harmless data.

Open-weight Large Language Models (LLMs) enable scientific progress and broad deployment. However, they make it difficult to control access to sensitive capabilities. Current practice either suppresses dangerous capabilities before release or mediates access through closed services that use specialized model variants, input/output monitors, and API permissions. The former is susceptible to jailbreaks while sacrificing capability for all users to mitigate the risks posed by a few, and the latter is fundamentally incompatible with open-weight release. In this paper, we propose Tiered Language Models (TLMs), where a single set of released weights supports multiple capability levels. In its default public configuration, a TLM behaves as a conventional LLM. A compact secret key specifies a permutation over a small parameter subset, inducing an alternative computation graph over the same weights that exposes additional capabilities. We develop a training protocol that jointly pretrains both configurations from scratch, then fine-tunes the keyed configuration on private data with regularization to preserve the public model's behavior. We pretrain 180M- and 650M-parameter TLMs and demonstrate that the keyed configuration can acquire a new language, gain instruction-following ability, and memorize private factual knowledge, whereas the public configuration exhibits none of these capabilities. Moreover, we show that our approach extends naturally to multiple hierarchical tiers. Because authorization operates on the model's weight structure rather than in the input space, the mechanism resists fine-tuning-based extraction and partial key compromise. In general, TLMs take a step toward reconciling open-weight release with selective capability control.

LLM agents rely on prompts to implement task-specific capabilities based on foundation LLMs, making agent prompts valuable intellectual property. However, in untrusted deployments, adversaries can copy and reuse these prompts with other proprietary LLMs, causing economic losses. To protect these prompts, we identify four key challenges: proactivity, runtime protection, usability, and non-portability that existing approaches fail to address. We present PragLocker, a prompt protection scheme that satisfies these requirements. PragLocker constructs function-preserving obfuscated prompts by anchoring semantics with code symbols and then using target-model feedback to inject noise, yielding prompts that only work on the target LLM. Experiments across multiple agent systems, datasets, and foundation LLMs show that PragLocker substantially reduces cross-LLM portability, maintains target performance, and remains robust against adaptive attackers.

Code models, such as CodeBERT and CodeT5, offer general-purpose representations of code and play a vital role in supporting downstream automated software engineering tasks. Most recently, code models were revealed to be vulnerable to backdoor attacks. A code model that is backdoor-attacked can behave normally on clean examples but will produce pre-defined malicious outputs on examples injected with triggers that activate the backdoors. Existing backdoor attacks on code models use unstealthy and easy-to-detect triggers. This paper aims to investigate the vulnerability of code models with stealthy backdoor attacks. To this end, we propose AFRAIDOOR (Adversarial Feature as Adaptive Backdoor). AFRAIDOOR achieves stealthiness by leveraging adversarial perturbations to inject adaptive triggers into different inputs. We evaluate AFRAIDOOR on three widely adopted code models (CodeBERT, PLBART and CodeT5) and two downstream tasks (code summarization and method name prediction). We find that around 85% of adaptive triggers in AFRAIDOOR bypass the detection in the defense process. By contrast, only less than 12% of the triggers from previous work bypass the defense. When the defense method is not applied, both AFRAIDOOR and baselines have almost perfect attack success rates. However, once a defense is applied, the success rates of baselines decrease dramatically to 10.47% and 12.06%, while the success rate of AFRAIDOOR are 77.05% and 92.98% on the two tasks. Our finding exposes security weaknesses in code models under stealthy backdoor attacks and shows that the state-of-the-art defense method cannot provide sufficient protection. We call for more research efforts in understanding security threats to code models and developing more effective countermeasures.

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

Large language models (LLMs) are increasingly deployed as autonomous agents that interact with external tools and services via the Model Context Protocol (MCP), a standardized interface for dynamic tool invocation. While MCP simplifies integration, it also expands the attack surface and enables generic exploits across multiple servers. Despite prior work on malicious MCP servers, the vulnerability landscape of MCP servers remains underexplored. In this work, we systematically analyze MCP server vulnerabilities, focusing on metadata characteristics, vulnerable code patterns, and community responses. Our study reveals that taint-style vulnerabilities constitute a substantial fraction of MCP server vulnerabilities, require significant code modifications to remediate, and are met with slow community responses. Motivated by these findings, we propose SPELLSMITH, presenting a novel textbased avenue for shielding taint-style vulnerabilities in MCP servers. In particular, SPELLSMITH analyzes the high-risk capabilities exposed by an MCP server and combines them with tool descriptions and parameter semantics to identify potential taint-style vulnerability risks, thereby constructing a tool-level risk profile. Then, SPELLSMITH leverages the Description property of the protocol to embed behavioral guidance (Description Enhancement Module) and exploits LLMs' self-reflection capabilities (Self-Reflection Module) to iteratively evaluate and refine outputs. By strengthening LLM internal decision-making, SPELLSMITH provides an active and unified mitigation strategy that generalizes across multiple vulnerabilities, reducing reliance on context-specific code-level fixes. Our experiments demonstrate that SPELLSMITH effectively mitigates taint-style vulnerability exploitation in MCP servers, highlighting its practical applicability and advantages over traditional code-level mitigations.

Ensuring the safety of LLM-generated content is essential for real-world deployment. Most existing guardrail models formulate moderation as a fixed binary classification task, implicitly assuming a fixed definition of harmfulness. In practice, enforcement strictness - how conservatively harmfulness is defined and enforced - varies across platforms and evolves over time, making binary moderators brittle under shifting requirements. We first introduce FlexBench, a strictness-adaptive LLM moderation benchmark that enables controlled evaluation under multiple strictness regimes. Experiments on FlexBench reveal substantial cross-strictness inconsistency in existing moderators: models that perform well under one regime can degrade substantially under others, limiting their practical usability. To address this, we propose FlexGuard, an LLM-based moderator that outputs a calibrated continuous risk score reflecting risk severity and supports strictness-specific decisions via thresholding. We train FlexGuard via risk-alignment optimization to improve score-severity consistency and provide practical threshold selection strategies to adapt to target strictness at deployment. Experiments on FlexBench and public benchmarks demonstrate that FlexGuard achieves higher moderation accuracy and substantially improved robustness under varying strictness. We release the source code and data to support reproducibility.

Large Language Models (LLMs) have evolved into AI agents that interact with external tools and environments to perform complex tasks. The Model Context Protocol (MCP) has become the de facto standard for connecting agents with such resources, but security has lagged behind: thousands of MCP servers execute with unrestricted access to host systems, creating a broad attack surface. In this paper, we introduce AgentBound, the first access control framework for MCP servers. AgentBound combines a declarative policy mechanism, inspired by the Android permission model, with a policy enforcement engine that contains malicious behavior without requiring MCP server modifications. We build a dataset containing the 296 most popular MCP servers, and show that access control policies can be generated automatically from source code with 80.9% accuracy. We also show that AgentBound blocks the majority of security threats in several malicious MCP servers, and that policy enforcement engine introduces negligible overhead. Our contributions provide developers and project managers with a practical foundation for securing MCP servers while maintaining productivity, enabling researchers and tool builders to explore new directions for declarative access control and MCP security.

LLM agents are an emerging form of AI systems where large language models (LLMs) serve as the central component, utilizing a diverse set of tools to complete user-assigned tasks. Despite their great potential, LLM agents pose significant security risks. When interacting with the external world, they may encounter malicious commands from attackers, leading to the execution of dangerous actions. A promising way to address this is by enforcing the principle of least privilege: allowing only essential actions for task completion while blocking unnecessary ones. However, achieving this is challenging, as it requires covering diverse agent scenarios while preserving both security and utility. We introduce Progent, the first privilege control mechanism for LLM agents. At its core is a domain-specific language for flexibly expressing privilege control policies applied during agent execution. These policies provide fine-grained constraints over tool calls, deciding when tool calls are permissible and specifying fallbacks if they are not. This enables agent developers and users to craft suitable policies for their specific use cases and enforce them deterministically to guarantee security. Thanks to its modular design, integrating Progent does not alter agent internals and requires only minimal changes to agent implementation, enhancing its practicality and potential for widespread adoption. To automate policy writing, we leverage LLMs to generate policies based on user queries, which are then updated dynamically for improved security and utility. Our extensive evaluation shows that it enables strong security while preserving high utility across three distinct scenarios or benchmarks: AgentDojo, ASB, and AgentPoison. Furthermore, we perform an in-depth analysis, showcasing the effectiveness of its core components and the resilience of its automated policy generation against adaptive attacks.

Despite their remarkable performance, large language models lack elementary safety features, making them susceptible to numerous malicious attacks. In particular, previous work has identified the absence of an intrinsic separation between instructions and data as the root cause of the success of prompt injection attacks. In this work, we propose a new architectural element, ASIDE, that allows language models to clearly separate instructions and data at the level of token embeddings. ASIDE applies an orthogonal rotation to the embeddings of data tokens, thus creating clearly distinct representations of instructions and data tokens without introducing any additional parameters. As we demonstrate experimentally across a range of models, instruction-tuning LLMs with ASIDE (1) achieves substantially higher instruction-data separation without performance loss and (2) makes the models more robust to prompt injection benchmarks, even without dedicated safety training. Additionally, we provide insights into the mechanism underlying our method through an analysis of the model representations. The source code and training scripts are openly accessible at https://github.com/egozverev/aside.

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.

Large language model (LLM) agents increasingly rely on invoking external tools to complete real-world tasks. Tool retrieval, which selects a small task-relevant subset from a library of thousands of tools before the agent acts, has therefore become a critical component of LLM agent pipelines. However, existing retrievers either score each tool in isolation or assemble the tool set sequentially, so the joint utility of a candidate set is never evaluated as a whole. In this paper, we propose HYSET, short for HYperedge-based SEt-level Tool retrieval. Our contributions are threefold: (i) we formulate tool retrieval as query-conditioned hyperedge prediction on a tool co-invocation hypergraph, under which the tool set itself becomes the unit of scoring and most existing retrieval paradigms reduce to restricted instances; (ii) we capture size-dependent tool compatibility through cardinality-specific interactions; and (iii) we design HYSET as a pre-selection module requiring no modification to the downstream agent. Experiments on ToolBench demonstrate that HYSET consistently outperforms state-of-the-art baselines in both tool retrieval performance and end-to-end task success. Beyond the in-domain setting, HYSET further supports zero-shot/few-shot transfer, generalizing to held-out tools/categories and unseen domains with minimal supervision.

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.

Claude Code is an agentic coding tool that can run shell commands, edit files, and call external services on behalf of the user. This study describes its comprehensive architecture by analyzing the publicly available TypeScript source code and further comparing it with OpenClaw, an independent open-source AI agent system that answers many of the same design questions from a different deployment context. Our analysis identifies five human values, philosophies, and needs that motivate the architecture (human decision authority, safety and security, reliable execution, capability amplification, and contextual adaptability) and traces them through thirteen design principles to specific implementation choices. The core of the system is a simple while-loop that calls the model, runs tools, and repeats. Most of the code, however, lives in the systems around this loop: a permission system with seven modes and an ML-based classifier, a five-layer compaction pipeline for context management, four extensibility mechanisms (MCP, plugins, skills, and hooks), a subagent delegation mechanism with worktree isolation, and append-oriented session storage. A comparison with OpenClaw, a multi-channel personal assistant gateway, shows that the same recurring design questions produce different architectural answers when the deployment context changes: from per-action safety classification to perimeter-level access control, from a single CLI loop to an embedded runtime within a gateway control plane, and from context-window extensions to gateway-wide capability registration. We finally identify six open design directions for future agent systems, grounded in recent empirical, architectural, and policy literature.

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.

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.

Enabling continual learning in LLMs remains a key unresolved research challenge. In a recent announcement, a frontier LLM company made a step towards this by introducing Agent Skills, a framework that equips agents with new knowledge based on instructions stored in simple markdown files. Although Agent Skills can be a very useful tool, we show that they are fundamentally insecure, since they enable trivially simple prompt injections. We demonstrate how to hide malicious instructions in long Agent Skill files and referenced scripts to exfiltrate sensitive data, such as internal files or passwords. Importantly, we show how to bypass system-level guardrails of a popular coding agent: a benign, task-specific approval with the "Don't ask again" option can carry over to closely related but harmful actions. Overall, we conclude that despite ongoing research efforts and scaling model capabilities, frontier LLMs remain vulnerable to very simple prompt injections in realistic scenarios. Our code is available at https://github.com/aisa-group/promptinject-agent-skills.

AI agents that interact with the real world through tool calls pose fundamental safety challenges: agents might leak private information, cause unintended side effects, or be manipulated through prompt injection. To address these challenges, we propose to put the agent in a programming-language-based "safety harness": instead of calling tools directly, agents express their intentions as code in a capability-safe language: Scala 3 with capture checking. Capabilities are program variables that regulate access to effects and resources of interest. Scala's type system tracks capabilities statically, providing fine-grained control over what an agent can do. In particular, it enables local purity, the ability to enforce that sub-computations are side-effect-free, preventing information leakage when agents process classified data. We demonstrate that extensible agent safety harnesses can be built by leveraging a strong type system with tracked capabilities. Our experiments show that agents can generate capability-safe code with no significant loss in task performance, while the type system reliably prevents unsafe behaviors such as information leakage and malicious side effects.

The Model Context Protocol (MCP) has become a common interface for connecting large language model (LLM) agents to external tools, but its reliance on stateless, eager schema injection imposes a hidden per-turn overhead the MCP Tax or Tools Tax that practitioner reports place between roughly 10k and 60k tokens in typical multi-server deployments. This payload inflates the key-value cache, is associated with reasoning degradation as context utilization approaches published fracture points around 70%, and turns token budgets into a recurring operational cost. We introduce Tool Attention, a middleware-layer mechanism that generalizes the "Attention Is All You Need" paradigm from self-attention over tokens to gated attention over tools. Tool Attention combines (i) an Intent Schema Overlap (ISO) score from sentence embeddings, (ii) a state-aware gating function enforcing preconditions and access scopes, and (iii) a two-phase lazy schema loader that keeps a compact summary pool in context and promotes full JSON schemas only for top-k gated tools. We evaluate on a simulated 120-tool, six-server benchmark whose per-server token counts are calibrated to public audits of real MCP deployments. In this simulation, Tool Attention directly reduces measured per-turn tool tokens by 95.0% (47.3k -> 2.4k) and raises effective context utilization (a token-ratio quantity) from 24% to 91%. End-to-end figures for task success, latency, cost, and reasoning quality are reported as projections derived from the measured token counts combined with published deployment telemetry; they are not measured on live LLM agents, and we mark projected values explicitly throughout. Taken together, the results support a simple thesis: protocol-level efficiency, not raw context length, is a binding constraint on scalable gentic systems. The code for this work is accessible at https://github.com/asadani/tool-attention

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.

Agent skills extend LLM agents with reusable procedures, tools, and domain-specific workflows, but their safety depends on resolving dependencies among interacting instructions. We introduce SkillLogic, a framework for analyzing logical relations in skill files and constructing executable tests from them. Our taxonomy covers eight relation types, including preconditions that gate valid actions, constraints that limit how allowed actions may be performed, and fallbacks that specify recovery behavior after failure. Using SkillLogic, we scan over 5000 public skills and find that 70% contain at least one logical relation. We then construct SLBench, an 86-case executable benchmark from high-confidence, high-impact, and locally testable relations. Evaluating Codex and Claude Code across six LLM backbones shows unsafe rates up to 70%, with violations leading to privacy leaks, unsafe configuration changes, and incomplete cleanup. The human audit attributes failures to both agent capability gaps and low-salience skill text. We further show that SLGuard, a lightweight inference-time scaffold, reduces violations by 63% on targeted cases. Our results establish logical-relation following as a distinct reliability challenge for skill-guided agents.

Instruction-following retrievers have been widely adopted alongside LLMs in real-world applications, but little work has investigated the safety risks surrounding their increasing search capabilities. We empirically study the ability of retrievers to satisfy malicious queries, both when used directly and when used in a retrieval augmented generation-based setup. Concretely, we investigate six leading retrievers, including NV-Embed and LLM2Vec, and find that given malicious requests, most retrievers can (for >50% of queries) select relevant harmful passages. For example, LLM2Vec correctly selects passages for 61.35% of our malicious queries. We further uncover an emerging risk with instruction-following retrievers, where highly relevant harmful information can be surfaced by exploiting their instruction-following capabilities. Finally, we show that even safety-aligned LLMs, such as Llama3, can satisfy malicious requests when provided with harmful retrieved passages in-context. In summary, our findings underscore the malicious misuse risks associated with increasing retriever capability.

Memory safety violations in low-level code, written in languages like C, continues to remain one of the major sources of software vulnerabilities. One method of removing such violations by construction is to port C code to a safe C dialect. Such dialects rely on programmer-supplied annotations to guarantee safety with minimal runtime overhead. This porting, however, is a manual process that imposes significant burden on the programmer and, hence, there has been limited adoption of this technique. The task of porting not only requires inferring annotations, but may also need refactoring/rewriting of the code to make it amenable to such annotations. In this paper, we use Large Language Models (LLMs) towards addressing both these concerns. We show how to harness LLM capabilities to do complex code reasoning as well as rewriting of large codebases. We also present a novel framework for whole-program transformations that leverages lightweight static analysis to break the transformation into smaller steps that can be carried out effectively by an LLM. We implement our ideas in a tool called MSA that targets the CheckedC dialect. We evaluate MSA on several micro-benchmarks, as well as real-world code ranging up to 20K lines of code. We showcase superior performance compared to a vanilla LLM baseline, as well as demonstrate improvement over a state-of-the-art symbolic (non-LLM) technique.

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.

Enterprise agents must follow long-horizon, conditional, safety-critical standard operating procedures (SOPs). We compile machine-readable SOP constraints into executable pseudo-code and run them with a program-guided (PG) stack machine that pages the active frame while an LLM performs semantic execution. A three-arm SOPBench study across six models separates representation from runtime: compiled text never significantly hurts and gains up to 16.0 points where official prose underperforms. Runtime guidance is capability-gated. Two strong models independently show positive seven-domain PG contrasts (58:19 and 75:31 discordant pairs), whereas weak models are harmed. A full-program cursor ablation (active frame first, complete program retained) recovers much of the strong-model refusal gain; selective visibility adds a smaller improvement. Paired probe and audit measurements track this divide to spontaneous state discipline rather than reconstruction ability. On Bank the three primary arms rise from 70.4 to 86.4 to 92.8, with 100% refusal correctness. Practical guidance: compile first; enable active-frame paging only after a model-level discipline check.

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.

Large language model safeguards decide whether to answer before seeing how an answer will be used. This creates a basic problem for dual-use tasks: the same answer can help an authorized professional or an attacker, while an attacker can imitate a benign request and interaction history. We separate the capability released by the model from the evidence available about downstream use. When that evidence is copyable, we derive the exact worst-case floor on attacker assistance while preserving useful answers. The result yields a safety trilemma: Useful Capability, Reliable Safety, and Open Access cannot coexist. We then show how a trusted credential can complement existing safeguards by adding hard-to-copy information that predicts actual downstream use, and identify the stronger condition needed to eliminate the floor. Evidence from dual-use evaluations, adaptive attacks, and deployed trusted-access programs supports the practical relevance of these conditions.

AI coding agents now read repositories, call tools, and execute shell commands with limited human oversight, and a fast-growing body of work studies whether the execution layer around them is actually safe. That literature is scattered. Papers on sandbox isolation, capability and access control, policy enforcement, time-of-check-to-time-of-use (TOCTOU) races, Model Context Protocol (MCP) threats, identity delegation, execution provenance, network egress control, and static analysis of agent-generated code are published independently and rarely cite one another. We systematize 39 papers published between 2023 and 2026 into 17 categories, each verified directly against its source. The same verification protocol also confirms four disclosed, patched CVEs directly affecting production agent harnesses. Reading across categories surfaces five cross-cutting gaps that no single paper addresses. (1) Isolation architectures and capability models are almost never evaluated against one another on a shared benchmark. (2) Policy-enforcement studies report failure rates from 69% to 98% of real denylists, yet no isolation paper re-evaluates its own defense under that adversarial setting. (3) TOCTOU and MCP threats are analyzed as separate literatures despite both being instances of the same state-validation problem. (4) Every enforcement mechanism assumes an honest policy author, leaving policy-authoring error itself unaddressed. (5) Benign but out-of-scope agent actions occurring at rates up to 17.1% under realistic prompting are addressed by no access-control or capability paper in the corpus. Existing broader surveys of agentic AI security discuss sandboxing only as one item among many defenses, leaving execution security without a dedicated systematization. This paper is written to fill that gap. We conclude with a research agenda directed at the five gaps.

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.

OpenClaw-like agents offer substantial productivity benefits, yet they are insecure by default because they combine untrusted inputs, autonomous action, extensibility, and privileged system access within a single execution loop. We use OpenClaw as an exemplar of a broader class of agents that interact with interfaces, manipulate files, invoke tools, and install extensions in real operating environments. Consequently, their security should be treated as a software engineering problem rather than as a product-specific concern. To address these architectural vulnerabilities, we propose a blueprint for defensible design. We present a risk taxonomy, secure engineering principles, and a practical research agenda to institutionalize safety in agent construction. Our goal is to transition the community focus from isolated vulnerability patching toward systematic defensive engineering and robust deployment practices.

The Model Context Protocol (MCP) has emerged as a universal standard that enables AI agents to seamlessly connect with external tools, significantly enhancing their functionality. However, while MCP brings notable benefits, it also introduces significant vulnerabilities, such as Tool Poisoning Attacks (TPA), where hidden malicious instructions exploit the sycophancy of large language models (LLMs) to manipulate agent behavior. Despite these risks, current academic research on MCP security remains limited, with most studies focusing on narrow or qualitative analyses that fail to capture the diversity of real-world threats. To address this gap, we present the MCP Attack Library (MCPLIB), which categorizes and implements 31 distinct attack methods under four key classifications: direct tool injection, indirect tool injection, malicious user attacks, and LLM inherent attack. We further conduct a quantitative analysis of the efficacy of each attack. Our experiments reveal key insights into MCP vulnerabilities, including agents' blind reliance on tool descriptions, sensitivity to file-based attacks, chain attacks exploiting shared context, and difficulty distinguishing external data from executable commands. These insights, validated through attack experiments, underscore the urgency for robust defense strategies and informed MCP design. Our contributions include 1) constructing a comprehensive MCP attack taxonomy, 2) introducing a unified attack framework MCPLIB, and 3) conducting empirical vulnerability analysis to enhance MCP security mechanisms. This work provides a foundational framework, supporting the secure evolution of MCP ecosystems.

Jailbreak attacks, where harmful prompts bypass generative models' built-in safety, raise serious concerns about model vulnerability. While many defense methods have been proposed, the trade-offs between safety and helpfulness, and their application to Large Vision-Language Models (LVLMs), are not well understood. This paper systematically examines jailbreak defenses by reframing the standard generation task as a binary classification problem to assess model refusal tendencies for both harmful and benign queries. We identify two key defense mechanisms: safety shift, which increases refusal rates across all queries, and harmfulness discrimination, which improves the model's ability to distinguish between harmful and benign inputs. Using these mechanisms, we develop two ensemble defense strategies-inter-mechanism ensembles and intra-mechanism ensembles-to balance safety and helpfulness. Experiments on the MM-SafetyBench and MOSSBench datasets with LLaVA-1.5 models show that these strategies effectively improve model safety or optimize the trade-off between safety and helpfulness.

The research builds and evaluates the adversarial potential to introduce copied code or hallucinated AI recommendations for malicious code in popular code repositories. While foundational large language models (LLMs) from OpenAI, Google, and Anthropic guard against both harmful behaviors and toxic strings, previous work on math solutions that embed harmful prompts demonstrate that the guardrails may differ between expert contexts. These loopholes would appear in mixture of expert's models when the context of the question changes and may offer fewer malicious training examples to filter toxic comments or recommended offensive actions. The present work demonstrates that foundational models may refuse to propose destructive actions correctly when prompted overtly but may unfortunately drop their guard when presented with a sudden change of context, like solving a computer programming challenge. We show empirical examples with trojan-hosting repositories like GitHub, NPM, NuGet, and popular content delivery networks (CDN) like jsDelivr which amplify the attack surface. In the LLM's directives to be helpful, example recommendations propose application programming interface (API) endpoints which a determined domain-squatter could acquire and setup attack mobile infrastructure that triggers from the naively copied code. We compare this attack to previous work on context-shifting and contrast the attack surface as a novel version of "living off the land" attacks in the malware literature. In the latter case, foundational language models can hijack otherwise innocent user prompts to recommend actions that violate their owners' safety policies when posed directly without the accompanying coding support request.

Private macOS frameworks underpin critical services and daemons but remain undocumented and distributed only as stripped binaries, complicating security analysis. We present MOTIF, an agentic framework that integrates tool-augmented analysis with a finetuned large language model specialized for Objective-C type inference. The agent manages runtime metadata extraction, binary inspection, and constraint checking, while the model generates candidate method signatures that are validated and refined into compilable headers. On MOTIF-Bench, a benchmark built from public frameworks with groundtruth headers, MOTIF improves signature recovery from 15% to 86% compared to baseline static analysis tooling, with consistent gains in tool-use correctness and inference stability. Case studies on private frameworks show that reconstructed headers compile, link, and facilitate downstream security research and vulnerability studies. By transforming opaque binaries into analyzable interfaces, MOTIF establishes a scalable foundation for systematic auditing of macOS internals.

Large Language Model (LLM) agents are increasingly applied to complex, multi-step tasks that require interaction with diverse external tools across various domains. However, current LLM agent tool planning methods typically rely on greedy, reactive tool selection strategies that lack foresight and fail to account for inter-tool dependencies. In this paper, we present ToolTree, a novel Monte Carlo tree search-inspired planning paradigm for tool planning. ToolTree explores possible tool usage trajectories using a dual-stage LLM evaluation and bidirectional pruning mechanism that enables the agent to make informed, adaptive decisions over extended tool-use sequences while pruning less promising branches before and after the tool execution. Empirical evaluations across both open-set and closed-set tool planning tasks on 4 benchmarks demonstrate that ToolTree consistently improves performance while keeping the highest efficiency, achieving an average gain of around 10\% compared to the state-of-the-art planning paradigm.

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.

LLM agents increasingly operate in large tool ecosystems, where real-world tasks require discovering relevant tools, inferring implicit sub-goals, and adapting to dynamic environments over long horizons. However, existing benchmarks rarely evaluate planning under retrieval-limited tool visibility. To address this gap, we introduce PlanBench-XL, an interactive benchmark of 327 retail tasks over 1,665 tools that tests whether agents can iteratively retrieve usable tools, invoke them to uncover intermediate evidence for subsequent calls toward the final goal. PlanBench-XL further features an optional blocking mechanism that simulates real-world unpredictability through missing, failing, or distracting tool functions, forcing agents to detect disrupted paths and adapt at runtime. Experiments on ten leading LLMs show that massive-tool planning remains challenging: while GPT-5.4 achieves 51.90% accuracy in block-free settings, it collapses to 11.36% under the most severe blocking condition. Further analysis shows that agents are especially vulnerable when failures lack explicit error signals or when recovery requires longer alternative tool-use paths. These results establish PlanBench-XL as a testbed for diagnosing agentic planning failures and highlight the need for robust adaptive planning in long-horizon tasks with large, imperfect tool environments.

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.

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%.

Chat template is a common technique used in the training and inference stages of Large Language Models (LLMs). It can transform input and output data into role-based and templated expressions to enhance the performance of LLMs. However, this also creates a breeding ground for novel attack surfaces. In this paper, we first reveal that the customizability of chat templates allows an attacker who controls the template to inject arbitrary strings into the system prompt without the user's notice. Building on this, we propose a training-free backdoor attack, termed BadTemplate. Specifically, BadTemplate inserts carefully crafted malicious instructions into the high-priority system prompt, thereby causing the target LLM to exhibit persistent backdoor behaviors. BadTemplate outperforms traditional backdoor attacks by embedding malicious instructions directly into the system prompt, eliminating the need for model retraining while achieving high attack effectiveness with minimal cost. Furthermore, its simplicity and scalability make it easily and widely deployed in real-world systems, raising serious risks of rapid propagation, economic damage, and large-scale misinformation. Furthermore, detection by major third-party platforms HuggingFace and LLM-as-a-judge proves largely ineffective against BadTemplate. Extensive experiments conducted on 5 benchmark datasets across 6 open-source and 3 closed-source LLMs, compared with 3 baselines, demonstrate that BadTemplate achieves up to a 100% attack success rate and significantly outperforms traditional prompt-based backdoors in both word-level and sentence-level attacks. Our work highlights the potential security risks raised by chat templates in the LLM supply chain, thereby supporting the development of effective defense mechanisms.

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.

LLM agents are evolving from conversational chatbots to operational tools in real-world workspaces. In local agentic harnesses, an LLM can read and write files, call tools, and reuse workspace state across sessions. While such capabilities enhance utility, they also expose a new attack surface for attackers. Attackers can embed a prompt injection within a file or tool output. Agents may read this hidden instruction, store it, and execute it later. In this multi-step trojan attack paradigm, no individual step appears malicious on its own, but these steps can collectively turn untrusted text into persistent control content. However, existing defenses often inspect each step in isolation. As a result, they can block a clear harmful action, but fail to detect the earlier write operation that plants the backdoor. To reveal this threat, we introduce ClawTrojan, a benchmark designed to identify multi-step trojan attacks in local agentic harnesses. In an OpenClaw-style simulated workspace with GPT-5.4, ClawTrojan reaches a 95.5% attack success rate (ASR), while existing single-turn prompt-injection attacks produce near-zero ASR on the same model. To address this threat, we propose DASGuard, which scans control-like text in sensitive local files, traces its origin, and removes control content that does not originate from a trusted source. Our results show that DASGuard achieves strong dynamic defense by combining runtime attack blocking with sanitized commits to the workspace.

As large language models are deployed in high-stakes enterprise applications, from healthcare to finance, ensuring adherence to organization-specific policies has become essential. Yet existing safety evaluations focus exclusively on universal harms. We present COMPASS (Company/Organization Policy Alignment Assessment), the first systematic framework for evaluating whether LLMs comply with organizational allowlist and denylist policies. We apply COMPASS to eight diverse industry scenarios, generating and validating 5,920 queries that test both routine compliance and adversarial robustness through strategically designed edge cases. Evaluating seven state-of-the-art models, we uncover a fundamental asymmetry: models reliably handle legitimate requests (>95% accuracy) but catastrophically fail at enforcing prohibitions, refusing only 13-40% of adversarial denylist violations. These results demonstrate that current LLMs lack the robustness required for policy-critical deployments, establishing COMPASS as an essential evaluation framework for organizational AI safety.

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.

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.

Large Language Models (LLMs) have shown great promise in tool-making, yet existing frameworks often struggle to efficiently construct reliable toolsets and are limited to single-task settings. To address these challenges, we propose GATE (Graph-based Adaptive Tool Evolution), an adaptive framework that dynamically constructs and evolves a hierarchical graph of reusable tools across multiple scenarios. We evaluate GATE on open-ended tasks (Minecraft), agent-based tasks (TextCraft, DABench), and code generation tasks (MATH, Date, TabMWP). Our results show that GATE achieves up to 4.3x faster milestone completion in Minecraft compared to the previous SOTA, and provides an average improvement of 9.23% over existing tool-making methods in code generation tasks and 10.03% in agent tasks. GATE demonstrates the power of adaptive evolution, balancing tool quantity, complexity, and functionality while maintaining high efficiency. Code and data are available at https://github.com/ayanami2003/GATE.

Large Language Models (LLMs) are increasingly serving as autonomous agents, and their utilization of external tools via the Model Context Protocol (MCP) is considered a future trend. Current MCP evaluation sets suffer from issues such as reliance on external MCP services and a lack of difficulty awareness. To address these limitations, we propose MCPAgentBench, a benchmark based on real-world MCP definitions designed to evaluate the tool-use capabilities of agents. We construct a dataset containing authentic tasks and simulated MCP tools. The evaluation employs a dynamic sandbox environment that presents agents with candidate tool lists containing distractors, thereby testing their tool selection and discrimination abilities. Furthermore, we introduce comprehensive metrics to measure both task completion rates and execution efficiency. Experiments conducted on various latest mainstream Large Language Models reveal significant performance differences in handling complex, multi-step tool invocations. All code is open-source at Github.

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

Coding agents and LLM-powered applications routinely send potentially sensitive content to cloud LLM APIs where it may be logged, retained, used for training, or subpoenaed. Existing privacy tooling focuses on network-level encryption and organization-level DLP, neither of which addresses the content of prompts themselves. We present a systematic empirical evaluation of eight techniques for privacy-preserving LLM requests: (A) local-only inference, (B) redaction with placeholder restoration, (C) semantic rephrasing, (D) Trusted Execution Environment hosted inference, (E) split inference, (F) fully homomorphic encryption, (G) secret sharing via multi-party computation, and (H) differential-privacy noise. We implement all eight (or a tractable research-stage subset where deployment is not yet feasible) in an open-source shim compatible with MCP and any OpenAI-compatible API. We evaluate the four practical options (A, B, C, H) and their combinations across four workload classes using a ground-truth-labelled leak benchmark of 1,300 samples with 4,014 annotations. Our headline finding is that no single technique dominates: the combination A+B+C (route locally when possible, redact and rephrase the rest) achieves 0.6% combined leak on PII and 31.3% on proprietary code, with zero exact leaks on PII across 500 samples. We present a decision rule that selects the appropriate option(s) from a threat-model budget and workload characterisation. Code, benchmarks, and evaluation harness are released at https://github.com/jayluxferro/llm-redactor.

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

Agentic systems enhance their capabilities by invoking external tools and maintaining persistent memory. However, these external dependencies introduce novel attack surfaces. Recent tool and memory poisoning attacks show that maliciously crafted tool descriptors and poisoned memory can covertly bias agent behavior. These threats reflect a deeper issue: the lack of verifiable continuity in the agent's contextual state for planning and execution. We present ElephantAgent, a protocol that enforces Contextual State Continuity to defend against contextual state poisoning. Inspired by prior state-continuity mechanisms (e.g., Nimble), ElephantAgent extends this protection to the evolving contextual state of agentic systems. We define the contextual state as the bounded, security-critical subset of the agent's entire context (e.g., tool state and memory). Before processing each query, ElephantAgent recomputes the digest of the local contextual state and verifies it against the latest authorized digest. Using replicated trusted hardware, ElephantAgent maintains a linearizable ledger of authorized contextual state transitions and detects out-of-band state tampering. To handle in-band semantic abuse, ElephantAgent additionally provides Historical Traceability, enabling conditional post-hoc audit and recovery to a known-good prior state.

Large language model (LLM)-based AI agents extend LLM capabilities by enabling access to tools such as data sources, APIs, search engines, code sandboxes, and even other agents. While this empowers agents to perform complex tasks, LLMs may invoke unintended tool interactions and introduce risks, such as leaking sensitive data or overwriting critical records, which are unacceptable in enterprise contexts. Current approaches to mitigate these risks, such as model-based safeguards, enhance agents' reliability but cannot guarantee system safety. Methods like information flow control (IFC) and temporal constraints aim to provide guarantees but often require extensive human annotation. We propose a process that starts with applying System-Theoretic Process Analysis (STPA) to identify hazards in agent workflows, derive safety requirements, and formalize them as enforceable specifications on data flows and tool sequences. To enable this, we introduce a capability-enhanced Model Context Protocol (MCP) framework that requires structured labels on capabilities, confidentiality, and trust level. Together, these contributions aim to shift LLM-based agent safety from ad hoc reliability fixes to proactive guardrails with formal guarantees, while reducing dependence on user confirmation and making autonomy a deliberate design choice.

Large Language Models (LLMs) are increasingly integrated into critical systems in industries like healthcare and finance. Users can often submit queries to LLM-enabled chatbots, some of which can enrich responses with information retrieved from internal databases storing sensitive data. This gives rise to a range of attacks in which a user submits a malicious query and the LLM-system outputs a response that creates harm to the owner, such as leaking internal data or creating legal liability by harming a third-party. While security tools are being developed to counter these threats, there is little formal evaluation of their effectiveness and usability. This study addresses this gap by conducting a thorough comparative analysis of LLM security tools. We identified 13 solutions (9 closed-source, 4 open-source), but only 7 were evaluated due to a lack of participation by proprietary model owners.To evaluate, we built a benchmark dataset of malicious prompts, and evaluate these tools performance against a baseline LLM model (ChatGPT-3.5-Turbo). Our results show that the baseline model has too many false positives to be used for this task. Lakera Guard and ProtectAI LLM Guard emerged as the best overall tools showcasing the tradeoff between usability and performance. The study concluded with recommendations for greater transparency among closed source providers, improved context-aware detections, enhanced open-source engagement, increased user awareness, and the adoption of more representative performance metrics.

Coding agents increasingly run inside organizations whose security controls (scoped credentials, restricted egress, read-only filesystems, non-root execution) constrain them like any other software. Existing benchmarks, however, evaluate agents almost exclusively in permissive sandboxes, so it is unknown how performance changes when policy is enforced. In this work, we evaluate 12 coding agents on Terminal-Bench 2.1 across nested security policy levels derived from common real-world enterprise restrictions. Hardening is never free but far from uniform: under the strictest policy, success losses reach 18.3 points and cost inflation 167.3\%, and the two axes disagree; the model that best preserves success is also the one that loses the most efficiency, so model choice is policy-dependent. Beyond aggregate scores, we characterize how agents behave when policy blocks their actions and decompose the failures hardening induces: runs grind into timeouts or wrong solutions rather than stopping early, in a mix that differs by model. To ground comparisons, we verify task solvability under the strictest policy, separating model failures from tasks the policy forecloses. We release Boundary-Bench, an open-source hardening plugin enabling policy-constrained evaluation of coding agents on Terminal-Bench and compatible benchmarks.

The proliferation of agentic AI coding assistants, including Claude Code, GitHub Copilot, Cursor, and emerging skill-based architectures, has fundamentally transformed software development workflows. These systems leverage Large Language Models (LLMs) integrated with external tools, file systems, and shell access through protocols like the Model Context Protocol (MCP). However, this expanded capability surface introduces critical security vulnerabilities. In this Systematization of Knowledge (SoK) paper, we present a comprehensive analysis of prompt injection attacks targeting agentic coding assistants. We propose a novel three-dimensional taxonomy categorizing attacks across delivery vectors, attack modalities, and propagation behaviors. Our meta-analysis synthesizes findings from 78 recent studies (2021--2026), consolidating evidence that attack success rates against state-of-the-art defenses exceed 85\% when adaptive attack strategies are employed. We systematically catalog 42 distinct attack techniques spanning input manipulation, tool poisoning, protocol exploitation, multimodal injection, and cross-origin context poisoning. Through critical analysis of 18 defense mechanisms reported in prior work, we identify that most achieve less than 50\% mitigation against sophisticated adaptive attacks. We contribute: (1) a unified taxonomy bridging disparate attack classifications, (2) the first systematic analysis of skill-based architecture vulnerabilities with concrete exploit chains, and (3) a defense-in-depth framework grounded in the limitations we identify. Our findings indicate that the security community must treat prompt injection as a first-class vulnerability class requiring architectural-level mitigations rather than ad-hoc filtering approaches.

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

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

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.

Backdoor mechanisms have traditionally been studied as security threats that compromise the integrity of machine learning models. However, the same mechanism -- the conditional activation of specific behaviors through input triggers -- can also serve as a controllable and auditable interface for trustworthy model behavior. In this work, we present Backdoor4Good (B4G), a unified benchmark and framework for beneficial backdoor applications in large language models (LLMs). Unlike conventional backdoor studies focused on attacks and defenses, B4G repurposes backdoor conditioning for Beneficial Tasks that enhance safety, controllability, and accountability. It formalizes beneficial backdoor learning under a triplet formulation (T, A, U), representing the Trigger, Activation mechanism, and Utility function, and implements a benchmark covering four trust-centric applications. Through extensive experiments across Llama3.1-8B, Gemma-2-9B, Qwen2.5-7B, and Llama2-13B, we show that beneficial backdoors can achieve high controllability, tamper-resistance, and stealthiness while preserving clean-task performance. Our findings demonstrate new insights that backdoors need not be inherently malicious; when properly designed, they can serve as modular, interpretable, and beneficial building blocks for trustworthy AI systems. Our code and datasets are available at https://github.com/bboylyg/BackdoorLLM/B4G.

Agentic AI systems represent a new frontier in artificial intelligence, where agents often based on large language models(LLMs) interact with tools, environments, and other agents to accomplish tasks with a degree of autonomy. These systems show promise across a range of domains, but their architectural underpinnings remain immature. This paper conducts a comprehensive review of the types of agents, their modes of interaction with the environment, and the infrastructural and architectural challenges that emerge. We identify a gap in how these systems manage tool orchestration at scale and propose a reusable design abstraction: the "Control Plane as a Tool" pattern. This pattern allows developers to expose a single tool interface to an agent while encapsulating modular tool routing logic behind it. We position this pattern within the broader context of agent design and argue that it addresses several key challenges in scaling, safety, and extensibility.

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.

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

Modern deployments require LLMs to enforce safety policies at scale, yet many controls rely on inference-time interventions that add recurring compute cost and serving complexity. Activation steering is widely used, but it requires runtime hooks and scales cost with the number of generations; conditional variants improve selectivity by gating when steering is applied but still retain an inference-time control path. We ask whether selective refusal can be moved entirely offline: can a mechanistic understanding of category-specific refusal be distilled into a circuit-restricted weight update that deploys as a standard checkpoint? We propose C-Δθ: Circuit Restricted Weight Arithmetic, which (i) localizes refusal-causal computation as a sparse circuit using EAP-IG and (ii) computes a constrained weight update ΔθC supported only on that circuit (typically <5% of parameters). Applying ΔθC yields a drop-in edited checkpoint with no inference-time hooks, shifting cost from per-request intervention to a one-time offline update. We evaluate category-targeted selectivity and capability retention on refusal and utility benchmarks.

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) have demonstrated remarkable capabilities in tool learning. In real-world scenarios, user queries are often ambiguous and incomplete, requiring effective clarification. However, existing interactive clarification approaches face two critical limitations: reliance on manually constructed datasets and lack of error correction mechanisms during multi-turn clarification. We present AskToAct, which addresses these challenges by exploiting the structural mapping between queries and their tool invocation solutions. Our key insight is that tool parameters naturally represent explicit user intents. By systematically removing key parameters from queries while retaining them as ground truth, we enable automated construction of high-quality training data. We further enhance model robustness by fine-tuning on error-correction augmented data using selective masking mechanism, enabling dynamic error detection during clarification interactions. Comprehensive experiments demonstrate that AskToAct significantly outperforms existing approaches, achieving above 79% accuracy in recovering critical unspecified intents and enhancing clarification efficiency by an average of 48.34% while maintaining high accuracy in tool invocation. Our framework exhibits robust performance across varying complexity levels and successfully generalizes to entirely unseen APIs without additional training, achieving performance comparable to GPT-4 with substantially fewer computational resources.

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.

Large language models (LLMs) are increasingly paired with activation-based monitoring to detect and prevent harmful behaviors that may not be apparent at the surface-text level. However, existing activation safety approaches, trained on broad misuse datasets, struggle with poor precision, limited flexibility, and lack of interpretability. This paper introduces a new paradigm: rule-based activation safety, inspired by rule-sharing practices in cybersecurity. We propose modeling activations as cognitive elements (CEs), fine-grained, interpretable factors such as ''making a threat'' and ''payment processing'', that can be composed to capture nuanced, domain-specific behaviors with higher precision. Building on this representation, we present a practical framework that defines predicate rules over CEs and detects violations in real time. This enables practitioners to configure and update safeguards without retraining models or detectors, while supporting transparency and auditability. Our results show that compositional rule-based activation safety improves precision, supports domain customization, and lays the groundwork for scalable, interpretable, and auditable AI governance. We will release GAVEL as an open-source framework and provide an accompanying automated rule creation tool.

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.

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

We introduce WildGuard -- an open, light-weight moderation tool for LLM safety that achieves three goals: (1) identifying malicious intent in user prompts, (2) detecting safety risks of model responses, and (3) determining model refusal rate. Together, WildGuard serves the increasing needs for automatic safety moderation and evaluation of LLM interactions, providing a one-stop tool with enhanced accuracy and broad coverage across 13 risk categories. While existing open moderation tools such as Llama-Guard2 score reasonably well in classifying straightforward model interactions, they lag far behind a prompted GPT-4, especially in identifying adversarial jailbreaks and in evaluating models' refusals, a key measure for evaluating safety behaviors in model responses. To address these challenges, we construct WildGuardMix, a large-scale and carefully balanced multi-task safety moderation dataset with 92K labeled examples that cover vanilla (direct) prompts and adversarial jailbreaks, paired with various refusal and compliance responses. WildGuardMix is a combination of WildGuardTrain, the training data of WildGuard, and WildGuardTest, a high-quality human-annotated moderation test set with 5K labeled items covering broad risk scenarios. Through extensive evaluations on WildGuardTest and ten existing public benchmarks, we show that WildGuard establishes state-of-the-art performance in open-source safety moderation across all the three tasks compared to ten strong existing open-source moderation models (e.g., up to 26.4% improvement on refusal detection). Importantly, WildGuard matches and sometimes exceeds GPT-4 performance (e.g., up to 3.9% improvement on prompt harmfulness identification). WildGuard serves as a highly effective safety moderator in an LLM interface, reducing the success rate of jailbreak attacks from 79.8% to 2.4%.

Intellectual Property (IP) theft is a cause of major financial and reputational damage, reportedly in the range of hundreds of billions of dollars annually in the U.S. alone. Field Programmable Gate Arrays (FPGAs) are particularly exposed to IP theft, because their configuration file contains the IP in a proprietary format that can be mapped to a gate-level netlist with moderate effort. Despite this threat, the scientific understanding of this issue lacks behind reality, thereby preventing an in-depth assessment of IP theft from FPGAs in academia. We address this discrepancy through a real-world case study on a Lattice iCE40 FPGA found inside iPhone 7. Apple refers to this FPGA as Maggie. By reverse engineering the proprietary signal-processing algorithm implemented on Maggie, we generate novel insights into the actual efforts required to commit FPGA IP theft and the challenges an attacker faces on the way. Informed by our case study, we then introduce generalized netlist reverse engineering techniques that drastically reduce the required manual effort and are applicable across a diverse spectrum of FPGA implementations and architectures. We evaluate these techniques on six benchmarks that are representative of different FPGA applications and have been synthesized for Xilinx and Lattice FPGAs, as well as in an end-to-end white-box case study. Finally, we provide a comprehensive open-source tool suite of netlist reverse engineering techniques to foster future research, enable the community to perform realistic threat assessments, and facilitate the evaluation of novel countermeasures.

Large Language Model (LLM) agents are autonomous systems powered by LLMs, capable of reasoning and planning to solve problems by leveraging a set of tools. However, the integration of multi-tool capabilities in LLM agents introduces challenges in securely managing tools, ensuring their compatibility, handling dependency relationships, and protecting control flows within LLM agent workflows. In this paper, we present the first systematic security analysis of task control flows in multi-tool-enabled LLM agents. We identify a novel threat, Cross-Tool Harvesting and Polluting (XTHP), which includes multiple attack vectors to first hijack the normal control flows of agent tasks, and then collect and pollute confidential or private information within LLM agent systems. To understand the impact of this threat, we developed Chord, a dynamic scanning tool designed to automatically detect real-world agent tools susceptible to XTHP attacks. Our evaluation of 66 real-world tools from the repositories of two major LLM agent development frameworks, LangChain and LlamaIndex, revealed a significant security concern: 75\% are vulnerable to XTHP attacks, highlighting the prevalence of this threat.

User authorization-based access privileges are a key feature in many safety-critical systems, but have thus far been absent from the large language model (LLM) realm. In this work, drawing inspiration from such access control systems, we introduce sudoLLM, a novel framework that results in multi-role aligned LLMs, i.e., LLMs that account for, and behave in accordance with, user access rights. sudoLLM injects subtle user-based biases into queries and trains an LLM to utilize this bias signal in order to produce sensitive information if and only if the user is authorized. We present empirical results demonstrating that this approach shows substantially improved alignment, generalization, and resistance to prompt-based jailbreaking attacks. The persistent tension between the language modeling objective and safety alignment, which is often exploited to jailbreak LLMs, is somewhat resolved with the aid of the injected bias signal. Our framework is meant as an additional security layer, and complements existing guardrail mechanisms for enhanced end-to-end safety with LLMs.

The Model Context Protocol (MCP) plays a crucial role in extending the capabilities of Large Language Models (LLMs) by enabling integration with external tools and data sources. However, the standard MCP specification presents significant security vulnerabilities, notably Tool Poisoning and Rug Pull attacks. This paper introduces the Enhanced Tool Definition Interface (ETDI), a security extension designed to fortify MCP. ETDI incorporates cryptographic identity verification, immutable versioned tool definitions, and explicit permission management, often leveraging OAuth 2.0. We further propose extending MCP with fine-grained, policy-based access control, where tool capabilities are dynamically evaluated against explicit policies using a dedicated policy engine, considering runtime context beyond static OAuth scopes. This layered approach aims to establish a more secure, trustworthy, and controllable ecosystem for AI applications interacting with LLMs and external tools.

Tool-augmented large language models (LLMs) are often trained on datasets of query-response pairs, which embed the ability to use tools or APIs directly into the parametric knowledge of LLMs. Tool-augmented LLMs need the ability to forget learned tools due to security vulnerabilities, privacy regulations, or tool deprecations. However, ``tool unlearning'' has not been investigated in unlearning literature. We introduce this novel task, which requires addressing distinct challenges compared to traditional unlearning: knowledge removal rather than forgetting individual samples, the high cost of optimizing LLMs, and the need for principled evaluation metrics. To bridge these gaps, we propose ToolDelete, the first approach for unlearning tools from tool-augmented LLMs. It implements three key properties to address the above challenges for effective tool unlearning and introduces a new membership inference attack (MIA) model for effective evaluation. Extensive experiments on multiple tool learning datasets and tool-augmented LLMs show that ToolDelete effectively unlearns randomly selected tools, while preserving the LLM's knowledge on non-deleted tools and maintaining performance on general tasks.

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

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

Today's LLMs are susceptible to prompt injections, jailbreaks, and other attacks that allow adversaries to overwrite a model's original instructions with their own malicious prompts. In this work, we argue that one of the primary vulnerabilities underlying these attacks is that LLMs often consider system prompts (e.g., text from an application developer) to be the same priority as text from untrusted users and third parties. To address this, we propose an instruction hierarchy that explicitly defines how models should behave when instructions of different priorities conflict. We then propose a data generation method to demonstrate this hierarchical instruction following behavior, which teaches LLMs to selectively ignore lower-privileged instructions. We apply this method to GPT-3.5, showing that it drastically increases robustness -- even for attack types not seen during training -- while imposing minimal degradations on standard capabilities.

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

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.

Through the integration of external tools, large language models (LLMs) such as GPT-4o and Llama 3.1 significantly expand their functional capabilities, evolving from elementary conversational agents to general-purpose assistants. We argue that the primary drivers of these advancements are the quality and diversity of the training data. However, the existing LLMs with external tool integration provide only limited transparency regarding their datasets and data collection methods, which has led to the initiation of this research. Specifically, in this paper, our objective is to elucidate the detailed process involved in constructing datasets that empower LLMs to effectively learn how to utilize external tools and make this information available to the public through the introduction of ToolBridge. ToolBridge proposes to employ a collection of general open-access datasets as its raw dataset pool and applies a series of strategies to identify appropriate data entries from the pool for external tool API insertions. By supervised fine-tuning on these curated data entries, LLMs can invoke external tools in appropriate contexts to boost their predictive accuracy, particularly for basic functions including data processing, numerical computation, and factual retrieval. Our experiments rigorously isolates model architectures and training configurations, focusing exclusively on the role of data. The experimental results indicate that LLMs trained on ToolBridge demonstrate consistent performance improvements on both standard benchmarks and custom evaluation datasets. All the associated code and data will be open-source at https://github.com/CharlesPikachu/ToolBridge, promoting transparency and facilitating the broader community to explore approaches for equipping LLMs with external tools capabilities.

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.

Large language models (LLMs) extended as systems, such as ChatGPT, have begun supporting third-party applications. These LLM apps leverage the de facto natural language-based automated execution paradigm of LLMs: that is, apps and their interactions are defined in natural language, provided access to user data, and allowed to freely interact with each other and the system. These LLM app ecosystems resemble the settings of earlier computing platforms, where there was insufficient isolation between apps and the system. Because third-party apps may not be trustworthy, and exacerbated by the imprecision of natural language interfaces, the current designs pose security and privacy risks for users. In this paper, we evaluate whether these issues can be addressed through execution isolation and what that isolation might look like in the context of LLM-based systems, where there are arbitrary natural language-based interactions between system components, between LLM and apps, and between apps. To that end, we propose IsolateGPT, a design architecture that demonstrates the feasibility of execution isolation and provides a blueprint for implementing isolation, in LLM-based systems. We evaluate IsolateGPT against a number of attacks and demonstrate that it protects against many security, privacy, and safety issues that exist in non-isolated LLM-based systems, without any loss of functionality. The performance overhead incurred by IsolateGPT to improve security is under 30% for three-quarters of tested queries.

Mainstream backdoor attack methods typically demand substantial tuning data for poisoning, limiting their practicality and potentially degrading the overall performance when applied to Large Language Models (LLMs). To address these issues, for the first time, we formulate backdoor injection as a lightweight knowledge editing problem, and introduce the BadEdit attack framework. BadEdit directly alters LLM parameters to incorporate backdoors with an efficient editing technique. It boasts superiority over existing backdoor injection techniques in several areas: (1) Practicality: BadEdit necessitates only a minimal dataset for injection (15 samples). (2) Efficiency: BadEdit only adjusts a subset of parameters, leading to a dramatic reduction in time consumption. (3) Minimal side effects: BadEdit ensures that the model's overarching performance remains uncompromised. (4) Robustness: the backdoor remains robust even after subsequent fine-tuning or instruction-tuning. Experimental results demonstrate that our BadEdit framework can efficiently attack pre-trained LLMs with up to 100\% success rate while maintaining the model's performance on benign inputs.

LLM agents choose tools and arguments from context that mixes user requests, tool outputs, retrieved records, memory, and untrusted text. Evidence can be relevant without being authorized to determine a decision, so a correct action need not be grounded only in permitted evidence. We introduce a target-specific authorization audit that labels context factors separately for each tool and argument target. Its primary test holds the task, proposition, position, and policy fixed while changing only the proposition's source authority. We then test behavior when valid evidence is weakened and use context-subset interactions as a secondary localization diagnostic. Across 450 controlled next-action tasks and multiple open-weight LLM families, trusted and untrusted variants produce different actions in 5.4 percent of competing cases versus 1.7 percent of supporting cases. Under controlled degradation, unauthorized competition is retained in a full-correct, mixed-error, clean-correct pattern in 2.4 percent of comparisons, with a 95 percent confidence interval from 2.1 to 3.0 percent. These are controlled stress-set rates, not deployment prevalence. The models respond to textual source-authority cues, but this does not prevent untrusted evidence from influencing their actions.

In this paper, we present the first comprehensive empirical study of specialized LLM-based detectors and compare them with traditional static analyzers at the project scale. Specifically, our study evaluates five latest and representative LLM-based methods and two traditional tools using: 1) an in-house benchmark of 222 known real-world vulnerabilities (C/C++ and Java) to assess detection capability, and 2) 24 active open-source projects, where we manually inspected 385 warnings to assess their practical usability and underlying root causes of failures. Our evaluation yields three key findings: First, while LLM-based detectors exhibit low recall on the in-house benchmark, they still uncover more unique vulnerabilities than traditional tools. Second, in open-source projects, both LLM-based and traditional tools generate substantial warnings but suffer from very high false discovery rates, hindering practical use. Our manual analysis further reveals shallow interprocedural reasoning and misidentified source/sink pairs as primary failure causes, with LLM-based tools exhibiting additional unique failures. Finally, LLM-based methods incurs substantial computational costs-hundreds of thousands to hundreds of millions of tokens and multi-hour to multi-day runtimes. Overall, our findings underscore critical limitations in the robustness, reliability, and scalability of current LLM-based detectors. We ultimately summarize a set of implications for future research toward more effective and practical project-scale vulnerability detection.

Large Language Model (LLM)-based agent systems are increasingly deployed for complex real-world tasks but remain vulnerable to natural language-based attacks that exploit over-privileged tool use. This paper aims to understand and mitigate such attacks through the lens of privilege escalation, defined as agent actions exceeding the least privilege required for a user's intended task. Based on a formal model of LLM agent systems, we identify novel privilege escalation scenarios, particularly in multi-agent systems, including a variant akin to the classic confused deputy problem. To defend against both known and newly demonstrated privilege escalation, we propose SEAgent, a mandatory access control (MAC) framework built upon attribute-based access control (ABAC). SEAgent monitors agent-tool interactions via an information flow graph and enforces customizable security policies based on entity attributes. Our evaluations show that SEAgent effectively blocks various privilege escalation while maintaining a low false positive rate and negligible system overhead. This demonstrates its robustness and adaptability in securing LLM-based agent systems.

Large Language Model (LLM) agents have shown significant autonomous capabilities in dynamically searching and incorporating relevant tools or Model Context Protocol (MCP) servers for individual queries. However, fixed context windows limit effectiveness in multi-turn interactions requiring repeated, independent tool usage. We introduce MemTool, a short-term memory framework enabling LLM agents to dynamically manage tools or MCP server contexts across multi-turn conversations. MemTool offers three agentic architectures: 1) Autonomous Agent Mode, granting full tool management autonomy, 2) Workflow Mode, providing deterministic control without autonomy, and 3) Hybrid Mode, combining autonomous and deterministic control. Evaluating each MemTool mode across 13+ LLMs on the ScaleMCP benchmark, we conducted experiments over 100 consecutive user interactions, measuring tool removal ratios (short-term memory efficiency) and task completion accuracy. In Autonomous Agent Mode, reasoning LLMs achieve high tool-removal efficiency (90-94% over a 3-window average), while medium-sized models exhibit significantly lower efficiency (0-60%). Workflow and Hybrid modes consistently manage tool removal effectively, whereas Autonomous and Hybrid modes excel at task completion. We present trade-offs and recommendations for each MemTool mode based on task accuracy, agency, and model capabilities.

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

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

As Large Language Models (LLMs) are increasingly integrated into software development workflows, their trustworthiness has become a critical concern. However, in dependency recommendation scenarios, the reliability of LLMs is undermined by widespread package hallucinations, where models often recommend hallucinated packages. Recent studies have proposed a range of approaches to mitigate this issue. Nevertheless, existing approaches typically merely reduce hallucination rates rather than eliminate them, leaving persistent software security risks. In this work, we argue that package hallucinations are theoretically preventable based on the key insight that package validity is decidable through finite and enumerable authoritative package lists. Building on this, we propose PackMonitor, the first approach capable of fundamentally eliminating package hallucinations by continuously monitoring the model's decoding process and intervening when necessary. To implement this in practice, PackMonitor addresses three key challenges: (1) determining when to trigger intervention via a Context-Aware Parser that continuously monitors model outputs and selectively activates intervening only during installation command generation; (2) resolving how to intervene by employing a Package-Name Intervenor that strictly limits the decoding space to an authoritative package list; and (3) ensuring monitoring efficiency through a DFA-Caching Mechanism that enables scalability to millions of packages with negligible overhead. Extensive experiments on five widely used LLMs demonstrate that PackMonitor is a training-free, plug-and-play solution that consistently reduces package hallucination rates to zero while maintaining low-latency inference and preserving original model capabilities.