Daily Papers

A growing line of work equips large language model (LLM) agents with graph neural networks (GNNs) as callable tools, assuming the agent exercises judgment over when and how much to rely on such a tool. We test this directly. We expose a frozen GNN to a ReAct-style LLM agent as an explicit tool and measure, on node classification over a text-attributed graph (ogbn-arxiv, replicated on WikiCS), whether the agent uses the tool or merely obeys it. We find the agent does not exercise judgment: its predictions agree with the raw GNN's 97.6-99.2% of the time (5 seeds), collapsing into a GNN parrot that adopts the tool's output wholesale and bypasses its own reasoning. Sweeping backbone capability (Qwen2.5 0.5B-7B), the deference is not a weak-model artifact: among models able to invoke the tool, agreement rises with capability (0.60 to 0.98 from 1.5B to 7B). Crucially, the cost of deference does not shrink as capability grows and grows where alternatives emerge: a per-node oracle over the available actions beats the parrot by 0.09-0.18 at 3B and 0.12-0.22 at 7B, roughly doubling at high homophily, because the parrot is pinned to the frozen GNN while the agent's alternatives improve; at 7B a simple neighbour-label tool overtakes the GNN at high homophily (0.81 vs 0.71) yet the agent still defers. A simple selective-invocation gate recovers about half of that high-homophily gap (0.71 to 0.83) but yields no net global gain, and held-out estimates bound the best achievable gate over standard test-time features to at most a third of the oracle headroom: reliable selective invocation looks limited by available information, not merely router design. Our results are a cautionary measurement: evaluations of agent+tool systems cannot assume the agent adds judgment on top of the tool, and selective invocation must be designed in rather than expected to emerge from scale.

Test-time training (TTT) adapts an LLM's parameters using signals derived from test inputs, and can make striking improvements in pre-specified settings such as IMO competitions or designated open problems. By turning deployment experience into parameter updates, TTT provides a direct mechanism for model-level self-improvement. Yet TTT is not universally beneficial: each TTT algorithm works in different settings, and applying an ill-suited method could waste test-time compute or even damage model performance. Therefore, such parameter-level self-improvement requires agency: the model must decide when TTT is warranted, which algorithm to invoke, and whether an existing skill can be reused. To fill this gap, we introduce Agentic-TTT, which learns a test-time policy to govern those decisions. Agentic-TTT turns TTT procedures into callable tools, treats accumulated skills as an evolving deployment environment, and trains its policy using the observed utility gains from its decisions. On our benchmark, Agentic-TTT nearly doubles the utility over the backbone model, learns to trade off utility against compute, and generalizes to domains unseen during training. Together, these results point toward autonomous self-improvement: models that can decide how to learn from their own deployment experience.

The success of coding agents has established the harness as a paradigm: what an agent achieves depends not on the model alone, but on the infrastructure around it. We ask whether the same paradigm extends to embodied agents in the physical world. We present Thea, a harness in which an agentic loop orchestrates robot capabilities, each wrapped as a callable tool. It inherits the core components of coding agents, modified as the physical world requires. The world, however, withholds two abilities that software grants for free: reading the state of the world, and judging the outcome of an action. To bridge these gaps, Thea introduces Scene Graph as Context, a persistent, symbolic representation of the world, and Evaluation as Exit Codes, which detects when an action should terminate, judges whether it succeeded, and on failure diagnoses the cause. Together they close the loop between the agent and the physical world. Rich behaviors then emerge from the composition of tools, and the closed loop carries long-horizon tasks to completion in real environments.

Tool-augmented large language models (LLMs), hereafter LLM agents, leverage external tools to solve diverse tasks and interface with the real world. However, current training practices largely rely on supervised fine-tuning (SFT) over static trajectories or reinforcement learning (RL) on narrow tasks, and generalize poorly beyond development settings, leading to brittleness with new tools and unseen workflows. Because code execution reflects many structures of real-world workflows, coding problems provide a natural basis for building agent training environments. Motivated by this, we introduce CodeGym, a scalable framework that synthesizes diverse, verifiable, and controllable multi-turn tool-use environments for agent RL, enabling LLM agents to explore and master various workflows actively. CodeGym rewrites static coding problems into interactive environments by extracting atomic functions or logic into callable tools, yielding verifiable tasks that span various tool-execution workflows. Models of varying sizes and chain-of-thought configurations, trained in CodeGym, exhibit consistent out-of-distribution generalizability; for example, Qwen2.5-32B-Instruct achieves an absolute accuracy gain of 8.7 points on the OOD benchmark tau-Bench. These results highlight CodeGym as a step toward scalable general-purpose RL environments that align with real-world agent workflows.

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

Computational Fluid Dynamics (CFD) is an essential simulation tool in engineering, yet its steep learning curve and complex manual setup create significant barriers. To address these challenges, we introduce Foam-Agent, a multi-agent framework that automates the entire end-to-end OpenFOAM workflow from a single natural language prompt. Our key innovations address critical gaps in existing systems: 1. An Comprehensive End-to-End Simulation Automation: Foam-Agent is the first system to manage the full simulation pipeline, including advanced pre-processing with a versatile Meshing Agent capable of handling external mesh files and generating new geometries via Gmsh, automatic generation of HPC submission scripts, and post-simulation visualization via ParaView. 2. Composable Service Architecture: Going beyond a monolithic agent, the framework uses Model Context Protocol (MCP) to expose its core functions as discrete, callable tools. This allows for flexible integration and use by other agentic systems, such as Claude-code, for more exploratory workflows. 3. High-Fidelity Configuration Generation: We achieve superior accuracy through a Hierarchical Multi-Index RAG for precise context retrieval and a dependency-aware generation process that ensures configuration consistency. Evaluated on a benchmark of 110 simulation tasks, Foam-Agent achieves an 88.2% success rate with Claude 3.5 Sonnet, significantly outperforming existing frameworks (55.5% for MetaOpenFOAM). Foam-Agent dramatically lowers the expertise barrier for CFD, demonstrating how specialized multi-agent systems can democratize complex scientific computing. The code is public at https://github.com/csml-rpi/Foam-Agent.

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

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

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

Scientific coding agents receive equations, boundary conditions, and output requirements in writing, then must assess the programs they revise. Rules to Tools (R2T) supplies prepared executable checks of public scientific requirements. Matched SciCode repair groups share written checks, starting programs, model, and budgets; the tool group receives a callable implementation. Across two task-ID cohorts, complete repair is 26/30 with text and 29/30 with the prepared checks. Three task IDs favor tools, one favors text, and eleven tie. The eight-ID cohort scores 13/16 versus 15/16, with a task-cluster bootstrap 95% interval of [-12.5, 43.75] percentage points for the difference. The larger shared-definition SciCode cohort ties at 13/24 per group. Five development-exposed tasks with alternate starting programs score 3/10 versus 7/10. The tool group favors tasks 17, 77, and 11; initial checks flag task 17 and report no violation for tasks 77 and 11. Task 37 favors text and has no initial reported violation. A fresh source-through-Python arm also reaches 15/16, matching the dedicated command's aggregate. In a matched PDE comparison, detailed text scores 23/24 and checks score 24/24, with 31.2% lower reported model output for checks. Agent-side output savings vary by cohort, while public CPU use rises in both task-ID cohorts. These results measure task-dependent repair outcomes and agent-side costs with prepared checks.

Tool calling, invoking external tools on demand, is central to agentic LLMs, yet the mechanism that decides whether a model calls a tool or responds directly remains poorly understood. Agentic prompts are long and heavily scaffolded, combining role instructions, tool schemas, format templates, and the user's request across hundreds of tokens, creating a noisy, highly entangled context in which no single controllable variable for mechanistic analysis is obvious. To obtain such a variable, we propose a method that converts complex agentic prompts into minimal contrastive pairs in which a single request verb determines the tool-call decision: replacing an execution-verb (e.g., write) with an analysis-verb (e.g., discuss) reliably flips the decision, suggesting it is mediated by a compact internal state. We construct 500 such paired prompts across Python, Java, and C++ (300 for mechanistic analysis, 200 held out for evaluation). We trace the decision to a vector, μ_Δ, that is both causally necessary and sufficient and generalizes beyond the discovery prompts to native multi-turn τ^2-Bench trajectories and verb-free requests. Behavioral ablations show that the scaffold establishes a tool-call prior; Transcoder decomposition then reveals that analysis verbs suppress this prior through features signaling that tool use is unnecessary, whereas execution verbs largely leave it intact. Downstream scaffold-reading attention heads and MLP features read out the resulting state, and the same mechanism recurs across seven models from the Qwen, Mistral, and Granite families. Our code is available at https://github.com/XijieGo/MI4ToolCalling.

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

Tool calling has greatly expanded the practical utility of large language models (LLMs) by enabling them to interact with external applications. As LLM capabilities advance, effective tool use increasingly involves multi-step, multi-turn interactions to solve complex tasks. However, the resulting growth in tool interactions incurs substantial latency, posing a key challenge for real-time LLM serving. Through empirical analysis, we find that tool-calling traces are highly structured, conform to constrained schemas, and often exhibit recurring invocation patterns. Motivated by this, we propose ToolSpec, a schema-aware, retrieval-augmented speculative decoding method for accelerating tool calling. ToolSpec exploits predefined tool schemas to generate accurate drafts, using a finite-state machine to alternate between deterministic schema token filling and speculative generation for variable fields. In addition, ToolSpec retrieves similar historical tool invocations and reuses them as drafts to further improve efficiency. ToolSpec presents a plug-and-play solution that can be seamlessly integrated into existing LLM workflows. Experiments across multiple benchmarks demonstrate that ToolSpec achieves up to a 4.2x speedup, substantially outperforming existing training-free speculative decoding methods.

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

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

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.

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

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

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.

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.

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

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

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

Large language models (LLMs) are expected to be trained to act as agents in various real-world environments, but this process relies on rich and varied tool-interaction sandboxes. However, access to real systems is often restricted; LLM-simulated environments are prone to hallucinations and inconsistencies; and manually built sandboxes are hard to scale. In this paper, we propose EnvScaler, an automated framework for scalable tool-interaction environments via programmatic synthesis. EnvScaler comprises two components. First, SkelBuilder constructs diverse environment skeletons through topic mining, logic modeling, and quality evaluation. Then, ScenGenerator generates multiple task scenarios and rule-based trajectory validation functions for each environment. With EnvScaler, we synthesize 191 environments and about 7K scenarios, and apply them to Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) for Qwen3 series models. Results on three benchmarks show that EnvScaler significantly improves LLMs' ability to solve tasks in complex environments involving multi-turn, multi-tool interactions. We release our code and data at https://github.com/RUC-NLPIR/EnvScaler.

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

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

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.

Training LLMs to invoke tools and leverage retrieved information necessitates high-quality, diverse data. However, existing pipelines for synthetic data generation often rely on tens of thousands of real API calls to enhance generalization, incurring prohibitive costs while lacking multi-hop reasoning and self-reflection. To address these limitations, we introduce ToolForge, an automated synthesis framework that achieves strong real-world tool-calling performance by constructing only a small number of virtual tools, eliminating the need for real API calls. ToolForge leverages a (question, golden context, answer) triple to synthesize large-scale tool-learning data specifically designed for multi-hop search scenarios, further enriching the generated data through multi-hop reasoning and self-reflection mechanisms. To ensure data fidelity, we employ a Multi-Layer Validation Framework that integrates both rule-based and model-based assessments. Empirical results show that a model with only 8B parameters, when trained on our synthesized data, outperforms GPT-4o on multiple benchmarks. Our code and dataset are publicly available at https://github.com/Buycar-arb/ToolForge .

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

External tool integration through function-calling is essential for practical language model applications, yet most multilingual models lack reliable tool-use capabilities in non-English languages. Even state-of-the-art multilingual models struggle with determining when to use tools and generating the structured outputs required for function calls, often exhibiting language confusion when prompted in lower-resource languages. This work presents a methodology for adapting existing language models to enable robust tool use in any target language, using Bulgarian as a case study. The approach involves continued training of the BgGPT model series (2.6B, 9B, 27B parameters) on a novel bilingual dataset of 10,035 function-calling examples designed to support standardized protocols like MCP (Model Context Protocol). The research introduces TUCAN (Tool-Using Capable Assistant Navigator), which achieves up to 28.75% improvement in function-calling accuracy over base models while preserving core language understanding, as verified on established Bulgarian benchmarks. Beyond accuracy gains, TUCAN models demonstrate production-ready response formatting with clean, parsable function calls, contrasting with the verbose and inconsistent outputs of base models. The models, evaluation framework, and dataset are released to enable replication for other languages. This work demonstrates a practical approach for extending tool-augmented capabilities beyond English-centric systems.

Tool use enables large language models (LLMs) to access external information, invoke software systems, and act in digital environments beyond what can be solved from model parameters alone. Early research mainly studied whether a model could select and execute a correct single tool call. As agent systems evolve, however, the central problem has shifted from isolated invocation to multi-tool orchestration over long trajectories with intermediate state, execution feedback, changing environments, and practical constraints such as safety, cost, and verifiability. We comprehensively review recent progress in multi-tool LLM agents and analyzes the state of the art in this rapidly developing area. First, we unify task formulations and distinguish single-call tool use from long-horizon orchestration. Then, we organize the literature around six core dimensions: inference-time planning and execution, training and trajectory construction, safety and control, efficiency under resource constraints, capability completeness in open environments, and benchmark design and evaluation. We further summarize representative applications in software engineering, enterprise workflows, graphical user interfaces, and mobile systems. Finally, we discuss major challenges and outline future directions for building reliable, scalable, and verifiable multi-tool agents.

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.

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

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.

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

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

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

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

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

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.

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

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.

Deploying language-driven agents in robotics requires evaluations that reflect real-world task demands: natural-language instructions with reproducible outcomes. Such agents must connect language models to callable perception and control tools, and be assessed using deployment-critical metrics including latency, accuracy, and error modes. We present SCOPE (Simulation and Camera Operations for Perception and Evaluation), a modular agent for natural-language, open-vocabulary pan-tilt-zoom (PTZ) camera control and visual scene understanding, designed explicitly for edge deployment. SCOPE operates both in a Blender-based simulation environment and on a physical PTZ camera, executing all perception, planning, and control locally at the deployment site using edge-accessible compute. We release a 536-task benchmark spanning QA, single- and multi-step commands, counting, spatial reasoning, descriptions, and optical character recognition in a Blender-based simulation environment that exposes realistic PTZ control affordances. Execution traces are combined with an LM-as-Judge to evaluate latency, accuracy, and error modes. We evaluate 19 planner-perception model combinations pairing Qwen3 small language models (SLMs) with Moondream and Qwen vision-language models (VLMs). Stronger SLMs substantially reduce hallucinations and improve tool routing, leading to more reliable closed-loop behavior. Once a sufficiently capable SLM is used, perception becomes the dominant performance bottleneck. Mixture-of-Experts models on both the planning and perception side consistently match or exceed dense alternatives at latencies and memory footprints comparable to much smaller networks. Quantization provides additional efficiency gains with minimal accuracy degradation, identifying a practical, sim-to-real validated design point for real-time, edge-feasible language-driven PTZ control.

Prompting and fine-tuning have emerged as two competing paradigms for augmenting language models with new capabilities, such as the use of tools. Prompting approaches are quick to set up but rely on providing explicit demonstrations of each tool's usage in the model's prompt, thus coupling tool use to the task at hand and limiting generalisation. Fine-tuning removes the need for task-specific demonstrations of tool usage at runtime; however, this ties new capabilities to a single model, thus making already-heavier setup costs a recurring expense. In this paper, we introduce language hooks, a novel framework for augmenting language models with new capabilities that is decoupled both from the model's task-specific prompt and from the model itself. The language hook algorithm interleaves text generation by the base model with the execution of modular programs that trigger conditionally based on the existing text and the available capabilities. Upon triggering, programs may call external tools, auxiliary language models (e.g. using tool specific prompts), and modify the existing context. We benchmark our method against state-of-the-art baselines, find that it outperforms task-aware approaches, and demonstrate its ability to generalise to novel tasks.

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

Large language model (LLM) agents must generalize from tools seen during training to unseen tools at deployment. A key challenge is tool trialing, i.e., excessive trials waste the interaction budget, whereas selective trials enable exploration of unfamiliar tools. Existing outcome-based post-training leaves wasteful trials unguided, while turn-level supervision may suppress necessary exploration. We introduce ToolCompass, a post-training framework that guides tool trialing by organizing tool-call representations according to shared functions. Specifically, ToolCompass models each function class as a von Mises--Fisher distribution and jointly reduces intra-function variation across domains and increases inter-function separation. This structure transfers experience from seen tools to functionally similar unseen tools, directing exploration away from unrelated alternatives. ToolCompass requires no ground-truth call traces or unseen-tool access and incurs no inference overhead. Experiments on AppWorld and FTRL show consistent gains across GRPO, RFT, and DMPO. improves AppWorld OOD task success by up to 10.71 percentage points over vanilla post-training and performs best among competitive baselines on both benchmarks.

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

Electronic health records (EHR) contain extensive structured and unstructured data, including tabular information and free-text clinical notes. Querying relevant patient information often requires complex database operations, increasing the workload for clinicians. However, complex table relationships and professional terminology in EHRs limit the query accuracy. In this work, we construct a publicly available dataset, TQGen, that integrates both Tables and clinical Text for natural language-to-query Generation. To address the challenges posed by complex medical terminology and diverse types of questions in EHRs, we propose TQGen-EHRQuery, a framework comprising a medical knowledge module and a questions template matching module. For processing medical text, we introduced the concept of a toolset, which encapsulates the text processing module as a callable tool, thereby improving processing efficiency and flexibility. We conducted extensive experiments to assess the effectiveness of our dataset and workflow, demonstrating their potential to enhance information querying in EHR systems.

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

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to solving complex problems. However, traditional methods, which finetune LLMs with tool demonstration data, can be both costly and restricted to a predefined set of tools. Recent in-context learning paradigm alleviates these issues, but the limited context length only allows for a few shots of demonstrations, leading to suboptimal understandings of the tools. Moreover, when there are numerous tools to choose from, in-context learning could completely fail to work. In this paper, we propose an alternative approach, ToolkenGPT, which combines the benefits of both sides. Our approach represents each tool as a token (toolken) and learns an embedding for it, enabling tool calls in the same way as generating a regular word token. Once a toolken is triggered, the LLM is prompted to complete arguments for the tool to execute. ToolkenGPT offers the flexibility to plug in an arbitrary number of tools by expanding the set of toolkens on the fly. In addition, it improves tool use by allowing extensive demonstration data for learning the toolken embeddings. In diverse domains, including numerical reasoning, knowledge-based question answering, and embodied plan generation, our approach effectively augments LLMs with tools and substantially outperforms various latest baselines. ToolkenGPT demonstrates the promising ability to use relevant tools from a large tool set in complex scenarios.

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

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

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.

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

We introduce MM-ToolSandBox, a benchmark and evaluation framework for visually grounded tool-calling agents. The framework provides a stateful execution environment spanning 500+ tools across 16 application domains, supporting multi-image, multi-turn tasks where agents must ground progressively arriving visual inputs into executable tool calls while handling realistic conversational phenomena (goal revisions, error corrections, state mutations). An automated scenario generation pipeline produces diverse, visually grounded scenarios through information-flow-guided planning and multi-stage quality filtering, yielding 258 human-verified nominal scenarios and 50 variants targeting interactive UI applications. Evaluating 12 state-of-the-art models, from 4B open-weight to frontier proprietary systems, shows that current models still lack robust visual tool-calling capability: even the best model achieves below 50% success rate. Our failure analysis further reveals that visual precision, not only planning, is a primary bottleneck for capable models: 53% of failures stem from incorrect information extraction from images despite otherwise correct task workflows. A planning-to-precision crossover emerges with scale: smaller models fail at deciding what to do, while larger models fail at perceiving what they see, suggesting fundamentally different research directions for improving models at different capability levels. The framework and the benchmark are publicly available at https://github.com/apple/ml-mmtoolsandbox

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.

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

Deciding whether to call a tool is a core competence of an LLM agent, and a costly one to get wrong: needless calls add latency, accrue cost, and may trigger irreversible side effects, while missing calls leave the model confidently wrong on questions it could only answer through tool-calls. Models manage this balance poorly, both over-using and under-using tools. Existing methods such as post-training and prompt engineering are expensive and difficult to modify at inference time. We show that whether an instruction-tuned model calls a tool can be controlled by a single linear direction in its residual stream, extracted without any training from the model's own tool-use preference signal and turned into an inference-time intervention with no prompt change. Adding the direction with strength α moves the call rate monotonically from near 0% to over 90% while keeping calls well-formed. The steering works in both directions: dialing it down suppresses calls, and dialing it up induces new calls that land precisely on the questions the model cannot answer from its own knowledge. We also show that the direction generalizes to unseen tools with strength comparable to each tool's own direction and without favoring any specific tool choice. With live tool execution, a single sweep of the steering traces a cost/accuracy Pareto frontier and nearly doubles open-domain QA accuracy (0.29 ! rightarrow ! 0.56); the same recipe transfers across a diverse range of models spanning dense, MoE, and multimodal architectures, without any training. Our code is publicly available at https://github.com/YuqiChen4188/Steering-Tool-Use-Propensity.

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.

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

To address intricate real-world tasks, there has been a rising interest in tool utilization in applications of large language models (LLMs). To develop LLM-based agents, it usually requires LLMs to understand many tool functions from different tool documentation. But these documentations could be diverse, redundant or incomplete, which immensely affects the capability of LLMs in using tools. To solve this, we introduce EASYTOOL, a framework transforming diverse and lengthy tool documentation into a unified and concise tool instruction for easier tool usage. EasyTool purifies essential information from extensive tool documentation of different sources, and elaborates a unified interface (i.e., tool instruction) to offer standardized tool descriptions and functionalities for LLM-based agents. Extensive experiments on multiple different tasks demonstrate that EasyTool can significantly reduce token consumption and improve the performance of tool utilization in real-world scenarios. Our code will be available at https://github.com/microsoft/JARVIS/ in the future.

Large language models (LLMs) augmented with external tools have demonstrated remarkable capability in solving complex real-world tasks. However, existing approaches suffer from two key challenges: brittle multi-step and multi-turn reasoning caused by incompatible tool output types and API schemas, and performance degradation under large tool catalogues. To address these, we introduce Tool Primitives, a design that replaces rigid API schema-based invocation with natural language as the interface for tool calling, where each tool is wrapped with an LLM interface that handles schema resolution and execution internally, enabling natural inter-tool communication for nested and multi-turn tool calling. Building on Tool Primitives, we host ToolFace, a centralized repository of 25,519 functions from which LLMs dynamically retrieve only the relevant tools at inference time, eliminating the need to enumerate raw API schemas in context. To orchestrate Tool Primitives and ToolFace reliably in complex settings, we further propose HEART, a Harness Engineering framework via Agent-native, Reusable Tool Primitives, comprising a Planner, Router, and Verifier that jointly support dynamic tool invocation planning, multi-step execution, and feedback-driven recovery. Experiments on five benchmarks demonstrate that HEART outperforms SFT-based models by 10% on average and surpasses GPT-5.4, Claude-4.6-Sonnet, and Gemini-3.1-Pro by 6% on average while reducing API cost by up to 85%. On 50 real-world tasks, HEART achieves 84% task completion, 3.8times the average of three frontier commercial models (22%).

Integrating tools into Large Language Models (LLMs) has facilitated the widespread application. Despite this, in specialized downstream task contexts, reliance solely on tools is insufficient to fully address the complexities of the real world. This particularly restricts the effective deployment of LLMs in fields such as medicine. In this paper, we focus on the downstream tasks of medical calculators, which use standardized tests to assess an individual's health status. We introduce MeNTi, a universal agent architecture for LLMs. MeNTi integrates a specialized medical toolkit and employs meta-tool and nested calling mechanisms to enhance LLM tool utilization. Specifically, it achieves flexible tool selection and nested tool calling to address practical issues faced in intricate medical scenarios, including calculator selection, slot filling, and unit conversion. To assess the capabilities of LLMs for quantitative assessment throughout the clinical process of calculator scenarios, we introduce CalcQA. This benchmark requires LLMs to use medical calculators to perform calculations and assess patient health status. CalcQA is constructed by professional physicians and includes 100 case-calculator pairs, complemented by a toolkit of 281 medical tools. The experimental results demonstrate significant performance improvements with our framework. This research paves new directions for applying LLMs in demanding scenarios of medicine.

The capabilities of Large Language Models (LLMs) are rapidly accelerating largely thanks to their integration with external tools. Querying databases is among the most effective of these integrations, enabling LLMs to access private or continually updating data. While Function Calling is the most common method for interfacing external tools to LLMs, its application to database querying as a tool has been underexplored. We propose a tool definition for database querying that unifies accessing data with search queries, filters, or a combination both, as well as transforming results with aggregation and groupby operators. To evaluate its effectiveness, we conduct a study with 8 LLMs spanning 5 model families. We present a novel pipeline adapting the Gorilla LLM framework to create synthetic database schemas and queries. We primarily evaluate the models with the Exact Match of predicted and ground truth query APIs. Among the models tested, Claude 3.5 Sonnet achieves the highest performance with an Exact Match score of 74.3%, followed by GPT-4o mini at 73.7%, and GPT-4o at 71.8%. We further breakdown these results per API component utilized and across synthetic use cases. We find that LLMs are highly effective at utilizing operators on boolean properties, but struggle with text property filters. Across use cases we find robust results with the higher performing models such as GPT-4o, but significant performance variance across use cases from lower performing models. We additionally conduct ablation studies exploring the impact of parallel tool calling, adding a rationale as an argument of the tool call, using a separate tool per database collection, and tool calling with structured outputs. Our findings demonstrate the effectiveness of enabling LLMs to query databases with Function Calling. We have open-sourced our experimental code and results at github.com/weaviate/gorilla.

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

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.

Large language models (LLMs) have significantly advanced autonomous agents, particularly in zero-shot tool usage, also known as function calling. This research delves into enhancing the function-calling capabilities of LLMs by exploring different approaches, including prompt formats for integrating function descriptions, blending function-calling and instruction-following data, introducing a novel Decision Token for conditional prompts, leveraging chain-of-thought reasoning, and overcoming multilingual challenges with a translation pipeline. Our key findings and contributions are as follows: (1) Instruction-following data improves both function-calling accuracy and relevance detection. (2) The use of the newly proposed Decision Token, combined with synthetic non-function-call data, enhances relevance detection. (3) A tailored translation pipeline effectively overcomes multilingual limitations, demonstrating significant improvements in Traditional Chinese. These insights highlight the potential for improved function-calling capabilities and multilingual applications in LLMs.

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.

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

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.

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

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.

Tool learning, which allows Large Language Models (LLMs) to leverage external tools for solving complex user tasks, has emerged as a promising avenue for extending model capabilities. However, current approaches primarily focus on data synthesis for fine-tuning LLMs to invoke tools effectively, largely ignoring how to fully stimulate the potential of the model. In this paper, we propose ToolACE-R, a novel method that introduces adaptive self-refinement for tool invocations. Our approach features a model-aware iterative training procedure that progressively incorporates more training samples based on the model's evolving capabilities. Additionally, it allows LLMs to iteratively refine their tool calls, optimizing performance without requiring external feedback. To further enhance computational efficiency, we integrate an adaptive mechanism when scaling the inference time, enabling the model to autonomously determine when to stop the refinement process. We conduct extensive experiments across several benchmark datasets, showing that ToolACE-R achieves competitive performance compared to advanced API-based models, even without any refinement. Furthermore, its performance can be further improved efficiently through adaptive self-refinement. Our results demonstrate the effectiveness of the proposed method, which is compatible with base models of various sizes, offering a promising direction for more efficient tool learning.

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

Large Language Models (LLMs) have recently demonstrated strong capabilities in tool use, yet progress in tool retrieval remains hindered by incomplete and heterogeneous tool documentation. To address this challenge, we introduce Tool-DE, a new benchmark and framework that systematically enriches tool documentation with structured fields to enable more effective tool retrieval, together with two dedicated models, Tool-Embed and Tool-Rank. We design a scalable document expansion pipeline that leverages both open- and closed-source LLMs to generate, validate, and refine enriched tool profiles at low cost, producing large-scale corpora with 50k instances for embedding-based retrievers and 200k for rerankers. On top of this data, we develop two models specifically tailored for tool retrieval: Tool-Embed, a dense retriever, and Tool-Rank, an LLM-based reranker. Extensive experiments on ToolRet and Tool-DE demonstrate that document expansion substantially improves retrieval performance, with Tool-Embed and Tool-Rank achieving new state-of-the-art results on both benchmarks. We further analyze the contribution of individual fields to retrieval effectiveness, as well as the broader impact of document expansion on both training and evaluation. Overall, our findings highlight both the promise and limitations of LLM-driven document expansion, positioning Tool-DE, along with the proposed Tool-Embed and Tool-Rank, as a foundation for future research in tool retrieval.

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

Large language models (LLMs) have garnered significant attention due to their impressive natural language processing (NLP) capabilities. Recently, many studies have focused on the tool utilization ability of LLMs. They primarily investigated how LLMs effectively collaborate with given specific tools. However, in scenarios where LLMs serve as intelligent agents, as seen in applications like AutoGPT and MetaGPT, LLMs are expected to engage in intricate decision-making processes that involve deciding whether to employ a tool and selecting the most suitable tool(s) from a collection of available tools to fulfill user requests. Therefore, in this paper, we introduce MetaTool, a benchmark designed to evaluate whether LLMs have tool usage awareness and can correctly choose tools. Specifically, we create a dataset called ToolE within the benchmark. This dataset contains various types of user queries in the form of prompts that trigger LLMs to use tools, including both single-tool and multi-tool scenarios. Subsequently, we set the tasks for both tool usage awareness and tool selection. We define four subtasks from different perspectives in tool selection, including tool selection with similar choices, tool selection in specific scenarios, tool selection with possible reliability issues, and multi-tool selection. We conduct experiments involving nine popular LLMs and find that the majority of them still struggle to effectively select tools, highlighting the existing gaps between LLMs and genuine intelligent agents. However, through the error analysis, we found there is still significant room for improvement. Finally, we conclude with insights for tool developers that follow ChatGPT to provide detailed descriptions that can enhance the tool selection performance of LLMs.

Large language models (LLMs) have recently shown tremendous promise in serving as the backbone to agentic systems, as demonstrated by their performance in multi-faceted, challenging benchmarks like SWE-Bench and Agent-Bench. However, to realize the true potential of LLMs as autonomous agents, they must learn to identify, call, and interact with external tools and application program interfaces (APIs) to complete complex tasks. These tasks together are termed function calling. Endowing LLMs with function calling abilities leads to a myriad of advantages, such as access to current and domain-specific information in databases and knowledge sources, and the ability to outsource tasks that can be reliably performed by tools, e.g., a Python interpreter or calculator. While there has been significant progress in function calling with LLMs, there is still a dearth of open models that perform on par with proprietary LLMs like GPT, Claude, and Gemini. Therefore, in this work, we introduce the GRANITE-20B-FUNCTIONCALLING model under an Apache 2.0 license. The model is trained using a multi-task training approach on seven fundamental tasks encompassed in function calling, those being Nested Function Calling, Function Chaining, Parallel Functions, Function Name Detection, Parameter-Value Pair Detection, Next-Best Function, and Response Generation. We present a comprehensive evaluation on multiple out-of-domain datasets comparing GRANITE-20B-FUNCTIONCALLING to more than 15 other best proprietary and open models. GRANITE-20B-FUNCTIONCALLING provides the best performance among all open models on the Berkeley Function Calling Leaderboard and fourth overall. As a result of the diverse tasks and datasets used for training our model, we show that GRANITE-20B-FUNCTIONCALLING has better generalizability on multiple tasks in seven different evaluation datasets.

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

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 18 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. In general, we hope this paper could inspire future research in integrating tools with foundation models.

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

Fulfilling user needs through Large Language Model multi-turn, multi-step tool-use is rarely a straightforward process. Real user interactions are inherently wild, being intricate, messy, and flexible. We identify three key challenges from user behaviour: compositional tasks that demand efficient orchestration of tool-call topologies, implicit intent spread across dialogue turns that require contextual inference, and instruction transition, which mixes task queries, clarifications, and casual conversation, forcing LLMs to adjust their policies on the fly. Existing benchmarks overlook these behaviors, making the apparent progress of LLMs on tool-use spurious. To address this, we introduce WildToolBench, an LLM tool-use benchmark grounded in real-world user behavior patterns. Comprehensive evaluations of 57 LLMs reveal that no model achieves an accuracy of more than 15%, indicating a substantial gap in the robustness of LLMs' agentic ability. Controlled experiments and in-depth analyses further indicate that the real challenge for LLM tool-use lies not in artificially complex tasks, but in the wild nature of user behavior, emphasizing the need to reconsider the interactions among LLMs, users, and tools.

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

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

Large language models are deployed as long-horizon agents that compose diverse tools across MCP services into executable workflows. Existing MCP environment-scaling methods are data-centric: they first synthesize a database and scenario, then derive tools and tasks from them. As a result, tool interfaces may not match real ones, tool compositions are not grounded in execution, and tasks rarely span more than one environment. We propose ToolSpace, a tool-centric framework that reverses this order. ToolSpace mines data, state, and retry dependencies from adjacent calls in execution traces of real MCP services and open agent corpora, using deterministic rules rather than LLM judgment, and clusters the resulting weighted tool-composition graph into environments. Databases are synthesized only for state-mutating environments, while query and stateless tools replay recorded returns. ToolSpace then performs state-aware random walks with rollback and decompiles each chain into a natural-language task with assertion-based checks, keeping only samples that replay successfully from the initial state. Applied to AutomationBench and tau3-Bench Banking, the pipeline produces harder Pro versions on which 7 frontier models drop by up to 38.2 points. Across seven long-horizon tool-use benchmarks, ToolSpace raises Qwen3.6-35B-A3B from 23.0 to 41.0 average score (43.2 with RL) and GLM-5.2 from 44.6 to 56.6, on par with Claude Opus 5. Ablations show that execution-witnessed edges clearly outperform LLM-judged ones, and performance keeps improving with data and environment scale.

To achieve faithful reasoning that aligns with human expectations, large language models (LLMs) need to ground their reasoning to real-world knowledge (e.g., web facts, math and physical rules). Tools help LLMs access this external knowledge, but there remains challenges for fine-tuning LLM agents (e.g., Toolformer) to invoke tools in multi-step reasoning problems, where inter-connected tool calls require holistic and efficient tool usage planning. In this work, we propose a new method for LLMs to better leverage tools in multi-step reasoning. Our method, Chain-of-Abstraction (CoA), trains LLMs to first decode reasoning chains with abstract placeholders, and then call domain tools to reify each reasoning chain by filling in specific knowledge. This planning with abstract chains enables LLMs to learn more general reasoning strategies, which are robust to shifts of domain knowledge (e.g., math results) relevant to different reasoning questions. It also allows LLMs to perform decoding and calling of external tools in parallel, which avoids the inference delay caused by waiting for tool responses. In mathematical reasoning and Wiki QA domains, we show that our method consistently outperforms previous chain-of-thought and tool-augmented baselines on both in-distribution and out-of-distribution test sets, with an average ~6% absolute QA accuracy improvement. LLM agents trained with our method also show more efficient tool use, with inference speed being on average ~1.4x faster than baseline tool-augmented LLMs.

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

In this paper, we describe Function Assistant, a lightweight Python-based toolkit for querying and exploring source code repositories using natural language. The toolkit is designed to help end-users of a target API quickly find information about functions through high-level natural language queries and descriptions. For a given text query and background API, the tool finds candidate functions by performing a translation from the text to known representations in the API using the semantic parsing approach of Richardson and Kuhn (2017). Translations are automatically learned from example text-code pairs in example APIs. The toolkit includes features for building translation pipelines and query engines for arbitrary source code projects. To explore this last feature, we perform new experiments on 27 well-known Python projects hosted on Github.

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

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

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.

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

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.

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.

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.

External tools help large language models succeed at tasks where they would otherwise typically fail. In existing frameworks, choosing tools at test time relies on naive greedy decoding, regardless of whether the model has been fine-tuned on tool-annotated data or prompted with in-context examples. In contrast, we find that gathering and choosing among a suitable set of candidate tools has greater potential to lead to an optimal selection. We present Tool selECTion via meta-reasONing (TECTON), a two-phase system that first reasons over a task and outputs candidate tools using a custom fine-tuned language modelling head. Then, with the custom head disabled, it meta-reasons (i.e., it reasons over the previous reasoning process) to make a final choice. We show that TECTON results in substantial gains--both in-distribution and out-of-distribution--on a range of math reasoning datasets.

Existing evaluations of tool learning primarily focus on validating the alignment of selected tools for large language models (LLMs) with expected outcomes. However, these approaches rely on a limited set of scenarios where answers can be pre-determined, diverging from genuine needs. Furthermore, a sole emphasis on outcomes disregards the intricate capabilities essential for LLMs to effectively utilize tools. To tackle this issue, we propose ToolEyes, a fine-grained system tailored for the evaluation of the LLMs' tool learning capabilities in authentic scenarios. The system meticulously examines seven real-world scenarios, analyzing five dimensions crucial to LLMs in tool learning: format alignment, intent comprehension, behavior planning, tool selection, and answer organization. Additionally, ToolEyes incorporates a tool library boasting approximately 600 tools, serving as an intermediary between LLMs and the physical world. Evaluations involving ten LLMs across three categories reveal a preference for specific scenarios and limited cognitive abilities in tool learning. Intriguingly, expanding the model size even exacerbates the hindrance to tool learning. These findings offer instructive insights aimed at advancing the field of tool learning. The data is available att https://github.com/Junjie-Ye/ToolEyes.

Large language models (LLMs) are increasingly expected to orchestrate diverse tools over long-horizon tasks. Existing agents typically use Direct Tool Calling (DTC), where the model invokes tools sequentially, and tool responses accumulate in the model context, which can lead to context rot and orchestration breakdown. In contrast, Programmatic Tool Calling (PTC) invokes tools through executable code and stores intermediate results in runtime variables rather than appending them to the context. Prior work has explored PTC mainly as an inference-time optimization, but its benefits for agentic training remain unclear, and suitable verifiable training tasks are scarce. In this work, we introduce ProgAgent, a full PTC training stack, comprising a pipeline for synthesizing verifiable long-horizon tasks, a lightweight PTC runtime, and a two-stage training recipe. Using only 215 tasks instantiated at four environment scales, ProgAgent yields higher pass rates than the evaluated baselines of comparable size across four benchmarks. On LOCA-bench, ProgAgent-14B achieves a 30.7% pass rate at a 64k-token environment state, where these baselines score zero. Cross-harness experiments show that PTC-trained models outperform DTC-trained models under both evaluation interfaces, suggesting that the benefits of PTC training extend beyond the interface.

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).

Large Language Model (LLM) agents significantly extend the capabilities of standalone LLMs, empowering them to interact with external tools (e.g., APIs, functions) and complete complex tasks in a self-directed fashion. The challenge of tool use demands that LLMs not only understand user queries and generate answers but also excel in task planning, memory management, tool invocation, and result summarization. While traditional approaches focus on training a single LLM with all these capabilities, performance limitations become apparent, particularly with smaller models. Moreover, the entire LLM may require retraining when tools are updated. To overcome these challenges, we propose a novel strategy that decomposes the aforementioned capabilities into a planner, caller, and summarizer. Each component is implemented by a single LLM that focuses on a specific capability and collaborates with other components to accomplish the task. This modular framework facilitates individual updates and the potential use of smaller LLMs for building each capability. To effectively train this framework, we introduce a two-stage training paradigm. First, we fine-tune a backbone LLM on the entire dataset without discriminating sub-tasks, providing the model with a comprehensive understanding of the task. Second, the fine-tuned LLM is used to instantiate the planner, caller, and summarizer respectively, which are continually fine-tuned on respective sub-tasks. Evaluation across various tool-use benchmarks illustrates that our proposed multi-LLM framework surpasses the traditional single-LLM approach, highlighting its efficacy and advantages in tool learning.

Tool-Augmented Language Models (TALMs) leverage external APIs to answer user queries across various domains. However, existing benchmark datasets for TALM research often feature simplistic dialogues that do not reflect real-world scenarios, such as the need for models to ask clarifying questions or proactively call additional APIs when essential information is missing. To address these limitations, we construct and release ToolDial, a dataset comprising 11,111 multi-turn dialogues, with an average of 8.95 turns per dialogue, based on APIs from RapidAPI. ToolDial has two key characteristics. First, the dialogues incorporate 16 user and system actions (e.g., "Request", "Clarify", "Fail inform") to capture the rich dynamics of real-world interactions. Second, we simulate dialogues where the system requests necessary information from the user based on API documentation and seeks additional APIs if the user fails to provide the required information. To facilitate this process, we introduce a method for generating an API graph that represents input and output compatibility between APIs. Using ToolDial, we evaluate a suite of language models on their ability to predict correct actions and extract input parameter values for API calls from the dialogue history. Modern language models achieve accuracy scores below 70%, indicating substantial room for improvement. We release our dataset and code at https://github.com/holi-lab/ToolDial.

Using tools by Large Language Models (LLMs) is a promising avenue to extend their reach beyond language or conversational settings. The number of tools can scale to thousands as they enable accessing sensory information, fetching updated factual knowledge, or taking actions in the real world. In such settings, in-context learning by providing a short list of relevant tools in the prompt is a viable approach. To retrieve relevant tools, various approaches have been suggested, ranging from simple frequency-based matching to dense embedding-based semantic retrieval. However, such approaches lack the contextual and common-sense understanding required to retrieve the right tools for complex user requests. Rather than increasing the complexity of the retrieval component itself, we propose leveraging LLM understanding to generate a retrieval query. Then, the generated query is embedded and used to find the most relevant tools via a nearest-neighbor search. We investigate three approaches for query generation: zero-shot prompting, supervised fine-tuning on tool descriptions, and alignment learning by iteratively optimizing a reward metric measuring retrieval performance. By conducting extensive experiments on a dataset covering complex and multi-tool scenarios, we show that leveraging LLMs for query generation improves the retrieval for in-domain (seen tools) and out-of-domain (unseen tools) settings.

Large Language Models (LLMs) have demonstrated significant progress in utilizing external APIs as tools for various tasks. However, their tool-using ability is limited by the availability of suitable APIs and the instability of implicit reasoning, particularly when simultaneously engaging in reasoning about plans and actual calculations. To address these limitations, we propose CREATOR, a novel framework that empowers LLMs to create their own tools through documentation and code realization. CREATOR disentangles the LLM's ability into two distinct phases: abstract tool creation and concrete decision execution, which results in improved LLM performance. We evaluate CREATOR on two established benchmarks: MATH, which consists of challenging math competition problems, and TabMWP, which includes diverse tabular contents for problem-solving. Remarkably, CREATOR significantly outperforms existing chain-of-thought (CoT), program-of-thought (PoT), and tool-using baselines on these two benchmarks. Additionally, we present a new dataset, Creation Challenge, comprising 2K diverse questions, to highlight the necessity and benefits of LLMs' tool creation ability in effectively addressing these problems. Furthermore, our research reveals that leveraging LLMs as tool creators facilitates knowledge transfer, and LLMs exhibit varying levels of tool creation abilities, enabling them to flexibly tackle diverse situations. Our study represents a promising avenue for maximizing the potential of LLMs and advancing toward truly intelligent and adaptable AI systems.

Today, large language models (LLMs) are taught to use new tools by providing a few demonstrations of the tool's usage. Unfortunately, demonstrations are hard to acquire, and can result in undesirable biased usage if the wrong demonstration is chosen. Even in the rare scenario that demonstrations are readily available, there is no principled selection protocol to determine how many and which ones to provide. As tasks grow more complex, the selection search grows combinatorially and invariably becomes intractable. Our work provides an alternative to demonstrations: tool documentation. We advocate the use of tool documentation, descriptions for the individual tool usage, over demonstrations. We substantiate our claim through three main empirical findings on 6 tasks across both vision and language modalities. First, on existing benchmarks, zero-shot prompts with only tool documentation are sufficient for eliciting proper tool usage, achieving performance on par with few-shot prompts. Second, on a newly collected realistic tool-use dataset with hundreds of available tool APIs, we show that tool documentation is significantly more valuable than demonstrations, with zero-shot documentation significantly outperforming few-shot without documentation. Third, we highlight the benefits of tool documentations by tackling image generation and video tracking using just-released unseen state-of-the-art models as tools. Finally, we highlight the possibility of using tool documentation to automatically enable new applications: by using nothing more than the documentation of GroundingDino, Stable Diffusion, XMem, and SAM, LLMs can re-invent the functionalities of the just-released Grounded-SAM and Track Anything models.

We introduce AnyTool, a large language model agent designed to revolutionize the utilization of a vast array of tools in addressing user queries. We utilize over 16,000 APIs from Rapid API, operating under the assumption that a subset of these APIs could potentially resolve the queries. AnyTool primarily incorporates three elements: an API retriever with a hierarchical structure, a solver aimed at resolving user queries using a selected set of API candidates, and a self-reflection mechanism, which re-activates AnyTool if the initial solution proves impracticable. AnyTool is powered by the function calling feature of GPT-4, eliminating the need for training external modules. We also revisit the evaluation protocol introduced by previous works and identify a limitation in this protocol that leads to an artificially high pass rate. By revising the evaluation protocol to better reflect practical application scenarios, we introduce an additional benchmark, termed AnyToolBench. Experiments across various datasets demonstrate the superiority of our AnyTool over strong baselines such as ToolLLM and a GPT-4 variant tailored for tool utilization. For instance, AnyTool outperforms ToolLLM by +35.4% in terms of average pass rate on ToolBench. Code will be available at https://github.com/dyabel/AnyTool.

As LLM agents operate over corpora of more than ten thousand tools, selecting the right tool for a complex multi-step user instruction becomes a central bottleneck. Tool descriptions cannot all fit in context, and relevance-based retrievers only rank tools without knowing which are actually needed. Recent work instead leverages proprietary commercial LLMs like Claude or ChatGPT to drive a retriever, decomposing the instruction and selecting over retrieved candidates. We show that a small, open model can be trained via reinforcement learning to perform the same functionality. On ToolBench, a Qwen3-8B model post-trained with our recipe outperforms Llama-4-Maverick (402B). In addition, the trained model transfers directly to different retrievers and generalizes to new tool corpora in different domains.

Language model applications are becoming increasingly popular and complex, often including features like tool usage and retrieval augmentation. However, existing frameworks for such applications are often opinionated, deciding for developers how their prompts ought to be formatted and imposing limitations on customizability and reproducibility. To solve this we present Kani: a lightweight, flexible, and model-agnostic open-source framework for building language model applications. Kani helps developers implement a variety of complex features by supporting the core building blocks of chat interaction: model interfacing, chat management, and robust function calling. All Kani core functions are easily overridable and well documented to empower developers to customize functionality for their own needs. Kani thus serves as a useful tool for researchers, hobbyists, and industry professionals alike to accelerate their development while retaining interoperability and fine-grained control.

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

The ability to use, understand, and create tools is a hallmark of human intelligence, enabling sophisticated interaction with the physical world. For any general-purpose intelligent agent to achieve true versatility, it must also master these fundamental skills. While modern Multimodal Large Language Models (MLLMs) leverage their extensive common knowledge for high-level planning in embodied AI and in downstream Vision-Language-Action (VLA) models, the extent of their true understanding of physical tools remains unquantified. To bridge this gap, we present PhysToolBench, the first benchmark dedicated to evaluating the comprehension of physical tools by MLLMs. Our benchmark is structured as a Visual Question Answering (VQA) dataset comprising over 1,000 image-text pairs. It assesses capabilities across three distinct difficulty levels: (1) Tool Recognition: Requiring the recognition of a tool's primary function. (2) Tool Understanding: Testing the ability to grasp the underlying principles of a tool's operation. (3) Tool Creation: Challenging the model to fashion a new tool from surrounding objects when conventional options are unavailable. Our comprehensive evaluation of 32 MLLMs-spanning proprietary, open-source, specialized embodied, and backbones in VLAs-reveals a significant deficiency in tool understanding. Furthermore, we provide an in-depth analysis and propose preliminary solutions. Code and dataset are publicly available.

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

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

AI scientists are emerging computational systems that serve as collaborative partners in discovery. These systems remain difficult to build because they are bespoke, tied to rigid workflows, and lack shared environments that unify tools, data, and analyses into a common ecosystem. In omics, unified ecosystems have transformed research by enabling interoperability, reuse, and community-driven development; AI scientists require comparable infrastructure. We present ToolUniverse, an ecosystem for building AI scientists from any language or reasoning model, whether open or closed. TOOLUNIVERSE standardizes how AI scientists identify and call tools, integrating more than 600 machine learning models, datasets, APIs, and scientific packages for data analysis, knowledge retrieval, and experimental design. It automatically refines tool interfaces for correct use by AI scientists, creates new tools from natural language descriptions, iteratively optimizes tool specifications, and composes tools into agentic workflows. In a case study of hypercholesterolemia, ToolUniverse was used to create an AI scientist to identify a potent analog of a drug with favorable predicted properties. The open-source ToolUniverse is available at https://aiscientist.tools.

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

Large Language Models (LLMs) enhance their problem-solving capability by utilizing external tools. However, in open-world scenarios with massive and evolving tool repositories, existing methods relying on static embedding retrieval or parameter memorization of tools struggle to align user intent with tool semantics or generalize to unseen tools, respectively, leading to suboptimal accuracy of open-world tool retrieval and execution. To address these, we present ToolOmni, a unified agentic framework that enables LLMs for open-world tool use by proactive retrieval and grounded execution within a reasoning loop. First, we construct a cold-start multi-turn interaction dataset to instill foundational agentic capabilities via Supervised Fine-Tuning (SFT). Then, we introduce open-world tool learning based on a Decoupled Multi-Objective GRPO algorithm, which simultaneously optimizes LLMs for both tool retrieval accuracy and execution efficacy in online environments. Extensive experiments demonstrate that ToolOmni achieves state-of-the-art performance both in retrieval and execution, surpassing strong baselines by a significant margin of +10.8% in end-to-end execution success rate, while exhibiting exceptional robustness and generalization capabilities.

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

Large Language Models (LLMs) 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.

Evaluating outputs of large language models (LLMs) is challenging, requiring making -- and making sense of -- many responses. Yet tools that go beyond basic prompting tend to require knowledge of programming APIs, focus on narrow domains, or are closed-source. We present ChainForge, an open-source visual toolkit for prompt engineering and on-demand hypothesis testing of text generation LLMs. ChainForge provides a graphical interface for comparison of responses across models and prompt variations. Our system was designed to support three tasks: model selection, prompt template design, and hypothesis testing (e.g., auditing). We released ChainForge early in its development and iterated on its design with academics and online users. Through in-lab and interview studies, we find that a range of people could use ChainForge to investigate hypotheses that matter to them, including in real-world settings. We identify three modes of prompt engineering and LLM hypothesis testing: opportunistic exploration, limited evaluation, and iterative refinement.

Function calling is a core capability of large language models, essential for AI agents. Existing benchmarks such as the Berkeley Function Calling Leaderboard (BFCL), tau^2-Bench (arXiv:2506.07982), and ACEBench (arXiv:2501.12851) evaluate argument correctness but do not test adherence to format instructions embedded in parameter descriptions, such as enclosing values in double quotes or using ISO date formats. We introduce IFEval-FC, a benchmark inspired by IFEval (arXiv:2311.07911) that assesses precise instruction following in function calling. IFEval-FC encodes verifiable formats directly within JSON schema descriptions, for example specifying that a value must not contain punctuation. It includes 750 test cases, each consisting of a function with an embedded format for one of its input parameters and a corresponding user query. Evaluation is fully algorithmic, ensuring objectivity, reproducibility, and scalability. Our results show that even state-of-the-art proprietary models, including GPT-5 and Claude 4.1 Opus, frequently fail to follow basic formatting rules, highlighting a practical limitation for real-world agent systems. The complete codebase and data are publicly available at https://github.com/Skripkon/IFEval-FC.

Large language models (LLMs) have demonstrated strong reasoning and tool-use capabilities, yet they often fail in real-world tool-interactions due to incorrect parameterization, poor tool selection, or misinterpretation of user intent. These issues often stem from an incomplete understanding of user goals and inadequate comprehension of tool documentation. While Chain-of-Thought (CoT) prompting has proven effective for enhancing reasoning in general contexts, our analysis reveals that free-form CoT is insufficient and sometimes counterproductive for structured function-calling tasks. To address this, we introduce a curriculum-inspired framework that leverages structured reasoning templates to guide LLMs through more deliberate step-by-step instructions for generating function callings. Experimental results show that our method reduces tool-use errors, achieving 3-12% relative improvements over strong baselines across diverse model series and approaches. Moreover, our framework enhances the robustness, interpretability, and transparency of tool-using agents, advancing the development of more reliable AI assistants for real-world applications.