Daily Papers

Large language model (LLM) agents increasingly rely on external tools to complete complex real-world tasks. However, reliable tool-use planning remains challenging due to the limitations of implicit reasoning and the evolving nature of real-world execution environments. Existing tool-use agents typically rely on LLMs to infer tool compositions from textual descriptions, which can lead to inefficient exploration and unreliable execution in complex tasks. To address these challenges, we model tool relations at the schema level and construct a directed Tool--Schema Hypergraph, in which tools are represented as hyperedges from their required input-schema nodes to their output-schema nodes. Furthermore, we propose HyperAgent, a Tool--Schema Hypergraph-guided framework for dynamic planning and execution. Given a task, HyperAgent first extracts a task-relevant tool context graph and uses it to guide the construction of a schema-aware Task DAG. During execution, HyperAgent dynamically realizes each subtask by constructing a state-conditioned tool support graph through deficit-oriented expansion, which identifies unresolved requirements and retrieves supporting producer tools according to the current agent state. Experiments on AppWorld demonstrate that HyperAgent improves task completion performance while reducing redundant API calls, LLM interactions, and token consumption compared with existing agent baselines.

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.

Large Language Models (LLMs) have shown strong performance on tool-use agentic tasks when given a fixed tool schema. Yet a tool schema is not the action space of an agent; it is merely one interface representation of it. The same executable action can be exposed through many different, functionally equivalent tool definitions, and an agent that has truly learned a task should behave consistently across them. We show that current agents often do not, a phenomenon we term schema bias. To study this systematically, we introduce an executable transformation framework that rewrites a native tool schema using nine operators, including merging and splitting tools, altering how a single tool is expressed, and distributing one action across several dependent calls. The tasks, executable actions, and reachable states remain fixed, so any change in success is attributable to the interface alone. Evaluating eleven LLMs, including two closed models, on up to 32 schema variants, we ask how large schema bias is, how it manifests, whether the difficulty of a schema variant can be predicted without a full evaluation, and whether training removes it. We find that schema bias is substantial even for the newest models: success rates range from complete failure to 97% depending solely on the schema. To reliably estimate schema difficulty, it requires running a small sample of the target queries. Training repairs a schema variant only when that variant appears in the training data.

Small language models (SLMs) enable scalable tool-augmented multi-agent systems where multiple SLMs handle subtasks orchestrated by a powerful coordinator. However, they struggle with tool-use tasks, particularly in selecting appropriate tools and identifying correct parameters. A common failure mode is schema misalignment: models hallucinate plausible tool names that are absent from the provided tool schema, due to different naming conventions internalized during pretraining. Rather than training models to adapt to unfamiliar schemas, we propose adapting schemas to align with models' pretrained knowledge. We introduce PA-Tool (Pretraining-Aligned Tool Schema Generation), a training-free method that leverages peakedness, a signal used in contamination detection that indicates pretraining familiarity, to rename tool components. By generating multiple candidates and selecting the candidate with the highest peakedness, PA-Tool identifies pretraining-aligned naming patterns. Experiments on MetaTool and RoTBench show improvements of up to 17\%, with schema misalignment errors reduced by 80\%. PA-Tool enables small models to substantially improve tool-use accuracy without retraining, showing that schema-level interventions can unlock the tool-use potential of resource-efficient models. Our code is available at https://github.com/holi-lab/PA-Tool.

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

True intelligence requires active capability acquisition, yet current LLM agents inject pre-defined tool schemas into prompts, reducing models to passive selectors and falling short of robust general-purpose agency. We introduce MCP-Zero, an active agent framework that restores tool discovery autonomy to LLMs themselves. Instead of overwhelming models with all available tools, MCP-Zero enables agents to actively identify capability gaps, and request specific tools on-demand, transforming them from large-scale retrievers into genuine autonomous agents. The framework operates through three core mechanisms: (1) Active Tool Request, where models autonomously generate structured requests specifying their exact tool requirements; (2) Hierarchical Semantic Routing, a two-stage algorithm that matches requests to relevant servers and tools through improved semantic alignment; (3) Iterative Capability Extension, enabling agents to progressively build cross-domain toolchains while maintaining minimal context footprint. We construct MCP-tools, a comprehensive dataset of 308 MCP servers and 2,797 tools from the official Model-Context-Protocol repository. Experiments demonstrate that MCP-Zero preserves agent autonomy while achieving substantial efficiency gains: (i) accurate tool selection from nearly 3k candidates across 248.1k tokens; (ii) 98\% reduction in token consumption on APIBank while maintaining high accuracy; and (iii) consistent multi-turn performance that scales with tool ecosystem growth. This work establishes active tool discovery as a fundamental design pattern for scalable autonomous agent systems.

Vision tool-use reinforcement learning (RL) can equip vision-language models with visual operators such as crop-and-zoom and achieves strong performance gains, yet it remains unclear whether these gains are driven by improvements in tool use or evolving intrinsic capabilities.We introduce MED (Measure-Explain-Diagnose), a coarse-to-fine framework that disentangles intrinsic capability changes from tool-induced effects, decomposes the tool-induced performance difference into gain and harm terms, and probes the mechanisms driving their evolution. Across checkpoint-level analyses on two VLMs with different tool priors and six benchmarks, we find that improvements are dominated by intrinsic learning, while tool-use RL mainly reduces tool-induced harm (e.g., fewer call-induced errors and weaker tool schema interference) and yields limited progress in tool-based correction of intrinsic failures. Overall, current vision tool-use RL learns to coexist safely with tools rather than master them.

LLMs generate tool calls token by token, even though the function choice and argument values can often be predicted in parallel from the request and tool schema. ToolSpec reduces this cost by drafting schema tokens and retrieving earlier calls, but cannot propose request-specific values absent from either source. We present OoO-Spec, which computes these missing semantics out of order. At request arrival, a Qwen3-0.6B sidecar predicts the function choice and all schema-defined argument slots in one parallel request-level wave while the target begins ToolSpec decoding. The runtime joins the slot values, renders the resulting call as text, and exposes it to subsequent candidate-construction rounds. The target polls without blocking, re-tokenizes a ready hint with its own tokenizer, and remains the sole verifier and commit authority. The sidecar is trained once with LoRA on Qwen2.5-32B teacher traces and used unchanged across Qwen2.5, Qwen3, and Llama targets, without target-specific drafter training. Across seven fully ranked targets and three benchmarks under greedy batch-one decoding, OoO-Spec is fastest among all evaluated methods in all 21 target-benchmark cells, reaching 2.46x-5.34x over autoregressive decoding with an unweighted mean of 3.89x, versus 2.95x for ToolSpec. It also outperforms every evaluated released learned drafter in each comparable cell. Across Qwen3-4B, 8B, 14B, and 32B targets, the same sidecar improves on ToolSpec by 34.1% on average. Its compact semantic payload averages 85 bytes per request excluding protocol metadata, supporting effective split-GPU overlap.

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.

The rapid proliferation of LLM agent frameworks has forced developers to choose between vendor lock-in through provider-specific SDKs and complex multi-package ecosystems that obscure control flow and hinder reproducibility. Integrating tool calling across multiple LLM providers remains a core engineering challenge due to fragmented APIs, incompatible message formats, and inconsistent streaming and tool-calling behavior, making it difficult to build portable, reliable agent systems. We introduce Orchestral, a lightweight Python framework that provides a unified, type-safe interface for building LLM agents across major providers while preserving the simplicity required for scientific computing and production deployment. Orchestral defines a single universal representation for messages, tools, and LLM usage that operates seamlessly across providers, eliminating manual format translation and reducing framework-induced complexity. Automatic tool schema generation from Python type hints removes the need for handwritten descriptors while maintaining type safety across provider boundaries. A synchronous execution model with streaming support enables deterministic behavior, straightforward debugging, and real-time interaction without introducing server dependencies. The framework's modular architecture cleanly separates provider integration, tool execution, conversation orchestration, and user-facing interfaces, enabling extensibility without architectural entanglement. Orchestral supports advanced agent capabilities found in larger frameworks, including rich tool calling, context compaction, workspace sandboxing, user approval workflows, sub-agents, memory management, and MCP integration.

To operate robustly in open-world environments, autonomous agents should be able to infer the behavior of unfamiliar systems through interaction alone, even in the absence of documentation. However, existing tool-use benchmarks expose semantic tool schemas in static environments, allowing agents to rely on prior knowledge rather than autonomous discovery. To address this limitation, we introduce ScrambleToolBench, an interactive terminal benchmark designed to isolate behavioral reasoning. By removing semantic cues and enforcing a continuous task curriculum, the benchmark requires agents to uncover hidden tool behaviors entirely through trial-and-error interaction. The benchmark further introduces dynamic challenges, including mapping drift, stochastic action failures, and temporal execution windows, to evaluate whether agents can revise and adapt their hypotheses as the environment changes. Our evaluation of state-of-the-art language models reveals that successful initial discovery does not translate into robust adaptation. When faced with structural changes such as mapping drift, agents fail to use deductive strategies such as cycle tracing, and instead exhibit belief inertia or fall back to exhaustive search. Increasing test-time reasoning only amplifies this expensive brute-force search rather than enabling deductive recovery. While equipping agents with persistent memory reduces compounding errors, they remain unable to efficiently infer structural changes, highlighting a gap in current agent reasoning.

Traditional agent development is split across prompt templates, tool schemas, callback code, and workflow graphs. We present NVIDIA Object-Oriented Agents (NOOA), a model-agnostic Python framework for building reliable AI agents. NOOA takes a simpler approach: an agent is a Python object. Its methods are the actions the model can take, fields are its state, docstrings are its prompts, and its type annotations are contracts. A method whose code body consists of "..." is completed at runtime by an LLM-driven agent loop, while methods with normal bodies remain standard deterministic Python. This gives developers and agents the same interface, so agent behavior can be tested, traced, refactored, and improved just like other software. This paper makes three contributions. (1) We present the agent-as-a-Python-object programming model and the design principles behind it. Where Python has existing abstractions, we adopt them directly. Agent-specific capabilities--context, events, state rendering, long-term memory, and validated LLM loops--are exposed through simple Pythonic APIs, so both developers and agents share one familiar programming model. (2) We identify six model-facing ideas that NOOA is, to our knowledge, the first to combine on a single surface: typed input/output, pass-by-reference over live objects, code as action, programmable loop engineering, explicit object state, and model-callable harness APIs for context and events. We find the community already converging on several of these ideas--often as experimental or partial features--and present the comparison to encourage further adoption. (3) We demonstrate that current models use this interface effectively, both in targeted capability tests and on agentic and reasoning benchmarks such as SWE-bench Verified and Terminal-Bench 2.0 and ARC-AGI-3.

Repository-level fault localization (FL) and automated program repair (APR) require an agent to identify the relevant code units across files, follow call and data dependencies, and generate a valid patch. Existing graph-based systems provide structural representations of repositories (files, classes, functions and their relationships) but do not model how variable values flow within procedures, leaving agents without the semantic precision needed for function- and line-level localization. We present ARISE (Agentic Repository-level Issue Solving Engine), which augments an LLM-based agent with a multi-granularity program graph that extends structural relationships down to statement-level nodes connected by intra-procedural definition-use edges. ARISE exposes this graph through a three-tier tool API, which brings data-flow slicing as a first-class, queryable agent primitive that allows the model to trace, in a single call, which statements define or consume a variable of interest. We evaluate on SWE-bench Lite (300 real GitHub issues, 11 Python repositories) using Qwen2.5-Coder-32B-Instruct as the backbone. Compared to the unmodified SWE-agent baseline, ARISE improves Function Recall@1 by 17.0 points and Line Recall@1 by 15.0 points. These localization gains translate directly into repair success, with ARISE achieving 22.0% Pass@1 (66/300), a 4.7 percentage-point improvement over SWE-agent. Controlled ablations confirm that the improvement is driven by the data-flow graph rather than the tool schema, and that large code models consume structured slice output directly without requiring a natural-language summarization layer. The graph builder and slicing API are designed as a framework-agnostic, drop-in toolset for future APR research.

Agents are deployed in applications from trip planners and stock trading to IT incident triage. In most cases, LLM agents work autonomously with minimal rule-based safeguarding, leading to cost and safety issues from irreversible actions. Recent works resolve this either by using a safeguard agent to monitor behavior or evaluating logs post-hoc. The first adds cost and latency to every step; the second delivers its verdict after the run, when tokens are burned and damage is done. To overcome this, we propose OnTrack, a streaming monitoring mechanism that compares an agent's steps and dependencies against recorded successful runs to alert users or block the agent in about a millisecond per step. We study this problem in three regimes of decreasing access: full reference access (historical runs and tool schemas), intermediate access (only tool schemas), and no prior knowledge (only step logs as generated). Expectation of OnTrack's monitoring capabilities reduces as data access drops, ranging from plan violation detection to identifying loops, stalls, and repeated tool calls. Finally, we evaluate OnTrack using SWE-bench trajectories. Based on the first 8 steps, our method ranks failing trajectories below succeeding ones better than content similarity approaches (+0.057 AUROC). With an abort policy, we save about 18% of compute that would be burned on failing runs, where 83% of interrupted runs were actually heading to failure (5 out of 6 aborts were correct).

Context engineering has become central to building reliable AI agents, yet it remains largely unmeasured. Agents do not fail in isolation: their behavior is shaped by the instructions, tools, memory, retrieved knowledge, guardrails, and untrusted inputs accumulated in their context. When this context is weak, agents drift, hallucinate, misuse tools, ignore constraints, become vulnerable to injection, and waste tokens. This paper validates context-engineering quality as an independent leading indicator of agent reliability. We implement the measurement in ProofAgent-Harness, an open-source infrastructure for AI agent evaluation that uses multi-juror, consensus-based scoring. The harness assesses context across seven criteria: role clarity, guardrail coverage, instruction consistency, tool schema quality, grounding sufficiency, injection hardening, and token efficiency. Crucially, the context score is isolated from behavioral metrics and release decisions, enabling a non-circular validation. Through a controlled context-quality study across regulated agent domains, holding frontier LLM agents fixed and varying only their operating context, we show that context-quality criteria consistently predict their corresponding behavioral outcomes. Grounding sufficiency predicts hallucination resistance, guardrail coverage predicts manipulation resistance, instruction consistency predicts instruction following, and tool-schema quality predicts tool use. These findings establish context measurement as a validated preflight signal for agent reliability and position context engineering as an auditable layer of agent evaluation and governance.

Recent growth in reinforcement learning (RL) has surfaced a need for diverse, specialized training environments. Hand-curated environments with fixed task and reward difficulties become ineffective signals as model performance improves, and sparse rewards over long horizons induce mode collapse on specific workflows or tool structures. World models that simulate environment states have matched pure rollout performance, making them promising for scaling diversity on-demand. However, autoregressive (AR) world models suffer from a left-to-right bias preventing conditioning on globally interdependent state anchors such as tool schemas, prior turns, and expected outcomes. We (i) formalize text-based world modeling as a steerable transition-dynamics problem decomposed into initial state, task context, tool schemas, domain rules, and steering directives, and (ii) curate 239,403 grounded state-action trajectories spanning nine open-source environments and twelve frontier model families. We compare AR LMs and masked diffusion language models (MDLMs), showing MDLMs, via bidirectional anchor-aware denoising, achieve better coherence, groundedness, and empirically validated rollout diversity than LLMs over 4x their parameter size, at comparable inference latency. We introduce a plug-and-play GRPO training framework with deterministic state checks, and perform zero-shot transfer ablations on three OOD environments (ScienceWorld, ALFWorld, AppWorld) across three 1.2B-7B agent backbones (LFM2.5, Qwen3, Mistral), achieving up to 47% absolute gains over baselines without environment-specific fine-tuning. We further conduct behavioral analysis of failure modes under adversarial scenarios and human evaluation on realism, outcome correctness, and training utility. We open-source our work to encourage research in this direction.

AI-powered digital avatar streamers must answer product questions, engage viewers, and execute marketing strategies in real time, demanding low latency, frequent strategy updates, and accurate yet effective responses. Evolvable Harnesses, whose Skills, Hooks, prompts, and tools can be updated independently of model weights, enable rapid iteration but expose a trade-off: large models adapt zero-shot yet are too slow, whereas compact models meet latency targets but overfit to fixed Harness configurations. We propose Harness-Aware Training (HAT), which trains compact models to adapt to changing Harnesses. Its key component, Harness-State Augmentation (HSA), applies task-preserving transformations to Skill identifiers and content, tool schemas, prompt structures, and Hook functions. Training proceeds in three stages: HSA-SFT learns reasoning and tool use from strong-model trajectories across diverse environments; General On-Policy Distillation restores generalization lost during SFT; and HSA-RL improves robustness to changing Harnesses through reinforcement learning in augmented environments. Across four evaluation sets, HAT achieves 94.8 on Live-Stream QA (base: 80.3; strongest general LLM: 93.0) and 94.6 on Harness-Variant QA (base: 75.4). Unlike Fixed-Harness SFT, which lowers IFEval by 7.7 points from the base model, HAT avoids this regression and reaches 83.5. On one NVIDIA H20 GPU, the optimized system delivers P50 and P95 latencies of 3.4 s and 8.1 s. Deployed in Taobao Live's digital-avatar service, it also yields positive online A/B test results for GMV and item-page views.

GRPO-based LLM post-training commonly samples multiple trajectories from the same prompt and then trains on the resulting group. In long-context GRPO workloads, this shared prompt-side prefix can contain retrieved passages, visual tokens, tool schemas, system instructions, or task context, while the full rollout group is still too large to pack into one training microbatch. Standard dense trainers therefore recompute the same prefix forward and backward for every trajectory. We present a schedule-level reuse mechanism that decouples prefix and suffix computation. The schedule runs prefix forward once, executes suffixes as ordinary microbatches while reading prefix K/V and accumulating prefix-side gK/gV , and then runs prefix backward once on the accumulated gradient cache. This reordered schedule is equivalent to baseline training over real arithmetic and aligns numerically within finite-precision tolerance. Because only K/V and gK/gV are hot during suffix computation, the approach offloads dormant prefix activations, integrates with TP/EP/CP/PP and DP-style placement at the execution level, and preserves aux-loss-based MoE router semantics through logical prefix-token accounting. On dense Llama3-8B, Qwen3-8B, and MoE Qwen3-MoE-30B-A3B configurations, the schedule matches optimizer updates across TP/CP/PP/EP combinations, aligns on a 100-step real GRPO actor-update trace replay, reaches up to 4.395x speedup (2.930x under a conservative compile-on comparison) as prefix ratio and GRPO group size grow, and reduces Phase-B peak HBM by up to 59.1%, extending the Llama3-8B capacity frontier from 17,920 to 29,696 total tokens.

LLM agents have become a new class of software user, but every surface they work through was designed for someone else. Pages are built for human eyes, which can skim and ignore; tool schemas for programs, which pay nothing to carry definitions they never call. An agent has neither luxury: it re-reads, and pays again for, everything it is shown on every turn. We present String, an open-source runtime that gives this user an interface of its own and treats the job as an operating-systems problem. Tool knowledge moves out of the agent's context and into a common layer that renders it back one view at a time as Markdown. A single SFMD (String-Flavored Markdown) document declares an application's views, typed actions, navigation, and credentials, and the runtime handles discovery, validation, execution, state, and secrets behind two core verbs: /open to see and /act to do. Web and app turn out to be two renderings of one architecture: an SFMD site serves styled HTML to browsers and the raw document to agents, so one grammar reaches apps, files, shells, and the web, even legacy HTML, with no per-site integration. Views stay partial by design, and the staging is causal: disclosing one tier of detail a single turn too early costs up to 23 accuracy points, while proper staging drops wrong-action selection from 28% to 2%. Privilege follows provenance: a remote page may call HTTP but never the shell, and caller-supplied text never expands a stored secret. On an 87-task benchmark that pairs each task with curated skills, operationalizing those procedures as on-demand String apps yields comparable aggregate success across six models from frontier to small (+1.3pp) while using 33.5% fewer tokens among completed episodes, and the resident interface stays a constant 53 tokens at any catalog size. We report the design, the evaluation, and what three months of production use taught us.

Large language model (LLM)-based agentic search systems are often evaluated as if the underlying LLM were the only component that matters, yet their measured performance also depends on the surrounding search environment: the Wikipedia snapshot, preprocessing pipeline, chunking policy, retrieval backend, tool schema, observation format, and answer submission rule. These details are frequently under-specified, making it difficult to compare results or reproduce reported baselines. We present SimpleWikiSearch, whose corpus construction, retrieval stack, tool contract, and evaluation protocol are explicit and runnable. The environment starts from a full English Wikipedia dump, cleans and chunks the corpus, builds keyword and dense retrieval indexes, and exposes a minimal tool interface consisting of search, open\_url, and submit\_answer. We report baseline results on six QA datasets using open-source LLMs and provide a random-300 subset for comparisons with closed-source commercial models. SimpleWikiSearch provides a domain-specific agent harness and a controlled offline environment for reproducible agentic-search evaluation. Its contribution is this specified reference setup, rather than a new agent algorithm. Code and data will be available at: https://github.com/JimXiongGM/simple_wiki_search.

We introduce MCP-Bench, a benchmark for evaluating large language models (LLMs) on realistic, multi-step tasks that demand tool use, cross-tool coordination, precise parameter control, and planning/reasoning for solving tasks. Built on the Model Context Protocol (MCP), MCP-Bench connects LLMs to 28 representative live MCP servers spanning 250 tools across domains such as finance, traveling, scientific computing, and academic search. Unlike prior API-based benchmarks, each MCP server provides a set of complementary tools designed to work together, enabling the construction of authentic, multi-step tasks with rich input-output coupling. Tasks in MCP-Bench test agents' ability to retrieve relevant tools from fuzzy instructions without explicit tool names, plan multi-hop execution trajectories for complex objectives, ground responses in intermediate tool outputs, and orchestrate cross-domain workflows - capabilities not adequately evaluated by existing benchmarks that rely on explicit tool specifications, shallow few-step workflows, and isolated domain operations. We propose a multi-faceted evaluation framework covering tool-level schema understanding and usage, trajectory-level planning, and task completion. Experiments on 20 advanced LLMs reveal persistent challenges in MCP-Bench. Code and data: https://github.com/Accenture/mcp-bench.

Scientific discovery begins where known problems end. There, AI systems must engage in exploration: framing hypotheses, designing experiments, and iterating on the results. However, evaluating this ability is difficult: (1) how to verify whether a genuinely new hypothesis holds, and (2) how to determine whether a system has discovered it through exploration or merely recalled related knowledge from pre-training data. To this end, we introduce ExplorationBench, which turns the wicked problem of evaluating scientific exploration into a concrete and tractable framework built on verifiable Alien Worlds: their rules are executable, so every answer can be checked exactly, and they conflict with familiar knowledge, so recall alone cannot solve the tasks. The benchmark contains two sandboxes, AlienCode (31 discovery targets, 70 tasks) and AlienLogic (24 discovery targets, 70 tasks). Each sandbox provides a flawed manual, task-specific environmental feedback, and a dedicated tool-call schema. Systems use these resources to explore the sandbox, then solve held-out tasks. We evaluate 10 AI systems and find that the strongest systems can acquire and apply unfamiliar rules, while performance varies substantially across trajectories and continued exploration can stall or reverse earlier gains. ExplorationBench represents a step towards AI systems that can acquire and apply genuinely new knowledge through exploration in unknown environments.

Tool use has become central to modern LLM agents, yet interface design is rarely isolated as an experimental variable. This paper studies whether schema based tool contracts and structured validation diagnostics improve reliability under strict interaction budgets. We evaluate three conditions that preserve identical tool semantics and information content: free form documentation, JSON Schema specifications, and JSON Schema with structured diagnostics. We implement a deterministic software engineering sandbox with logs, metrics, configurations, and repository tasks, and evaluate a fully crossed pilot with one open local model, three seeds, three interface conditions, and four budgets. We report end task success, interface misuse, execution failures, semantic misuse, recovery behavior, and overhead. In this pilot, success remains zero across conditions, while schema conditions reduce interface misuse but not semantic misuse. The evidence supports a precise interpretation that interface formalization improves contract adherence, but semantic action quality and timeout sensitive tasks remain dominant bottlenecks under constrained local inference.

AI agents extend large language models (LLMs) with external tools, enabling them to perform complex tasks and translate model outputs into consequential real-world actions. Yet LLMs often become substantially less safe when deployed as agents, and the source of this degradation remains poorly understood. In this paper, we identify schema-formatted tool specifications as a primary source of agent safety degradation and show, through white-box representation analysis, that they weaken the model's internal refusal signals and contribute to unsafe tool execution. Building on this finding, we propose SafeKeep, an inference-time safeguard that decouples safety judgment from tool execution: it assesses requests using flattened textual tool specifications while retaining the original schema-formatted specifications for execution. Across two representative benchmarks and four LLMs, including both white-box and black-box models, SafeKeep increases the average refusal rate for harmful requests from 23.8% to 70.6% and reduces the average attack success rate under observation-level prompt injection from 25.6% to 2.5%. It also outperforms existing safeguards and preserves task-handling capability. We release the code and data at https://github.com/snowcatsmoking/SafeKeep .

Several approaches are proposed to deal with the problem of the Automatic Schema Matching (ASM). The challenges and difficulties caused by the complexity and uncertainty characterizing both the process and the outcome of Schema Matching motivated us to investigate how bio-inspired emerging paradigm can help with understanding, managing, and ultimately overcoming those challenges. In this paper, we explain how we approached Automatic Schema Matching as a systemic and Complex Adaptive System (CAS) and how we modeled it using the approach of Agent-Based Modeling and Simulation (ABMS). This effort gives birth to a tool (prototype) for schema matching called Reflex-SMAS. A set of experiments demonstrates the viability of our approach on two main aspects: (i) effectiveness (increasing the quality of the found matchings) and (ii) efficiency (reducing the effort required for this efficiency). Our approach represents a significant paradigm-shift, in the field of Automatic Schema Matching.

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

We trained Agaram 2.5B, a 2.5-billion-parameter Tamil-English language model, from scratch on about 50 billion tokens (58% Tamil, the rest English, math, code and parallel text) on one node of eight H100 GPUs in about six days, with a new tokenizer that, unlike our first model's, keeps line breaks. Supervised fine-tuning on 134,428 conversations, whose replies an open-weight teacher model wrote, and three short targeted rounds turned it into a chat model that answers in Tamil script, romanized Tamil (Tanglish) and English and can call tools: on 25 tool prompts whose schemas appear in training it picks the right tool 23 times and gives exactly the expected arguments 13 times. The released model translates better than Sarvam-1, a 2B Indic base model, in all six FLORES and IN22 directions (FLORES chrF 54.3 into Tamil and 55.2 into English, against 49.2 and 44.2), and nearly doubles its base model on native-Tamil IndicIFEval (19.3% from 10.0%). It is weak on knowledge: reading-comprehension and knowledge benchmarks sit near chance, and on 50 held-out everyday questions written by one native speaker, one LLM judge rated 46% of its replies usable (22-24 of 50 over three passes; 95% interval for 23 of 50, 33-60%), with nearly every failure a wrong fact. Our two further SFT experiments changed answer format but not the knowledge measures. We also describe our first model, Agaram 1.5B, whose failures shaped the choices here; how the judge's scores varied between passes on identical replies; and, item by item, what the targeted rounds trained against and where frontier-model text entered the data. The project ran on compute credits and our own funds, about USD 13,300 across both models; the weights are released (licence to be announced after legal review), with GGUF files for llama.cpp, at https://huggingface.co/murai-labs/agaram-2.5b-instruct; code at https://github.com/Murai-Labs/Agaram2.5b

LLM agents are beginning to invoke industrial asset-management tools through the Model Context Protocol (MCP), yet whether they can act reliably on this substrate for safety-critical Prognostics and Health Management (PHM) is unanswered. Prior benchmarks conflate protocol fluency with reasoning, instrumentation failures with agent failures, and tool use with tool retrieval. We introduce PHMForge, an evaluation environment that closes each conflation. PHMForge ships 99 SME-authored scenarios across eight industrial asset classes spanning rotating equipment, aero-engines, and lithium-ion cells, on public datasets including NASA PCoE, served through 39 MCP-native tools wrapping published PHM algorithms (C-MAPSS, ISO~10816, Arrhenius capacity-fade models, time-series foundation models). Krippendorff's αin [0.74,,0.82] on a 30-scenario stratified rotating-equipment/aero-engine sample; the battery extension is single-rater. Across three agentic frameworks and six LLM backbones, the strongest configuration reaches 80.8\% pass@1, with the residual gap concentrated in orchestration and tool-sequencing errors. Crucially, an architectural ablation shows that replacing MCP execution with text-based Retrieval-Augmented Generation (RAG) over telemetry-equivalent evidence collapses Remaining Useful Life pass-all-3 from 100\% to 20\% (5/5 vs.\ 1/5) on the battery class, exposing the structural limits of static retrieval for prognostic computation. Trajectory decomposition shows orchestration errors dominate failures across backbones, while schema-invalid tool calls concentrate in smaller open-weight models. Frontier LLMs are stronger at calling tools than at planning when to call them. PHMForge is open-sourced with deterministic evaluators, a public leaderboard, and a datasheet.

We present RLM-Cascade, a proxy-layer system that applies speculative decoding at the response level to reduce LLM API costs without requiring model architecture access or a shared vocabulary. A fast, inexpensive draft model generates a candidate response; a capable verify model accepts, enhances, or is bypassed entirely depending on a lightweight complexity router. On a real-world agentic coding workload (Claude Code), RLM-Cascade achieves a draft-use rate of 88.8% across 125 production requests, reducing API cost by 45.8% relative to a direct Opus baseline. Counter-intuitively, the proxy also reduces end-to-end latency: median response time is 2,026 ms versus 3,698 ms for Native Opus -- a 1.83X speedup at p50 -- because the SKIPPED path (DeepSeek only, no Opus call) dominates the workload distribution. Quality matches or exceeds the Opus baseline: 100% pass rate on a 20-task Code/Math/Instruct benchmark versus 95% for Native Opus. We further describe a rule-based complexity router that selects the SKIPPED path for simple agentic turns and a hybrid tool-call strategy that bypasses the speculative pipeline for schema-critical tool-selection turns. RLM-Cascade is deployed in production as an enterprise AI infrastructure component and published as open source with a live metrics dashboard and Prometheus endpoint.

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

Text-to-SQL parsing has achieved remarkable progress under the Full Schema Assumption. However, this premise fails in real-world enterprise environments where databases contain hundreds of tables with massive noisy metadata. Rather than injecting the full schema upfront, an agent must actively identify and verify only the relevant subset, giving rise to the Unknown Schema scenario we study in this work. To address this, we propose TRUST-SQL (Truthful Reasoning with Unknown Schema via Tools). We formulate the task as a Partially Observable Markov Decision Process where our autonomous agent employs a structured four-phase protocol to ground reasoning in verified metadata. Crucially, this protocol provides a structural boundary for our novel Dual-Track GRPO strategy. By applying token-level masked advantages, this strategy isolates exploration rewards from execution outcomes to resolve credit assignment, yielding a 9.9% relative improvement over standard GRPO. Extensive experiments across five benchmarks demonstrate that TRUST-SQL achieves an average absolute improvement of 30.6% and 16.6% for the 4B and 8B variants respectively over their base models. Remarkably, despite operating entirely without pre-loaded metadata, our framework consistently matches or surpasses strong baselines that rely on schema prefilling.

Recent releases such as o3 highlight human-like "thinking with images" reasoning that combines structured tool use with stepwise verification, yet most open-source approaches still rely on text-only chains, rigid visual schemas, or single-step pipelines, limiting flexibility, interpretability, and transferability on complex tasks. We introduce CodeDance, which explores executable code as a general solver for visual reasoning. Unlike fixed-schema calls (e.g., only predicting bounding-box coordinates), CodeDance defines, composes, and executes code to orchestrate multiple tools, compute intermediate results, and render visual artifacts (e.g., boxes, lines, plots) that support transparent, self-checkable reasoning. To guide this process, we introduce a reward for balanced and adaptive tool-call, which balances exploration with efficiency and mitigates tool overuse. Interestingly, beyond the expected capabilities taught by atomic supervision, we empirically observe novel emergent behaviors during RL training: CodeDance demonstrates novel tool invocations, unseen compositions, and cross-task transfer. These behaviors arise without task-specific fine-tuning, suggesting a general and scalable mechanism of executable visual reasoning. Extensive experiments across reasoning benchmarks (e.g., visual search, math, chart QA) show that CodeDance not only consistently outperforms schema-driven and text-only baselines, but also surpasses advanced closed models such as GPT-4o and larger open-source models.

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

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

Tool-augmented language models are bounded by the APIs humans bothered to write; existing tool-creation systems patch this by prompting a frozen LLM at inference time, leaving the model that writes a tool decoupled from the one that uses it, with no signal that the schemas it produces are schemas it can invoke. We propose SMITH (Schema-grounded Multi-task Iterative Tool Honing), a reinforcement learning framework that jointly trains tool creation and tool use inside a single policy. Each rollout is either a build task (write a tool from a few examples) or a use task (invoke a pooled tool on a held-out question). Three separate reward axes catch schema, code, and outcome failures independently, so each failure mode contributes its own gradient. A 4B Qwen3 trained with SMITH on 13 procedural reasoning tasks with exact verifiers reaches 79.8 macro-average accuracy on held-out tasks, the best across all evaluated methods and ahead of an untrained 30B-A3B tool-writer. It also reaches 40.4 on TabMWP-Hard and 42.6 on out-of-domain GQA (+7.6 over the best same-backbone inference-time baseline), without any visual or tabular training data. Tools written by our 4B models also lifted the performance of LFM-2.5-350M and Qwen3-30B-A3B under same reasoning tasks.

Organizing a large-scale knowledge graph into a typed property graph requires structural decisions -- which entities become nodes, which properties become edges, and what schema governs these choices. Existing approaches embed these decisions in pipeline code or extract relations ad hoc, producing schemas that are tightly coupled to their construction process and difficult to reuse for downstream ontology-level tasks. We present an ontology-oriented approach in which the schema is designed from the outset for ontology analysis, entity disambiguation, domain customization, and LLM-guided extraction -- not merely as a byproduct of graph building. The core mechanism is intrinsic-relational routing, which classifies every property as either intrinsic or relational and routes it to the corresponding schema module. This routing produces a declarative schema that is portable across storage backends and independently reusable. We instantiate the approach on the January 2026 Wikidata dump. A rule-based cleaning stage identifies a 34.6M-entity core set from the full dump, followed by iterative intrinsic-relational routing that assigns each property to one of 94 modules organized into 8 categories. With tool-augmented LLM support and human review, the schema reaches 93.3% category coverage and 98.0% module assignment among classified entities. Exporting this schema yields a property graph with 34.0M nodes and 61.2M edges across 38 relationship types. We validate the ontology-oriented claim through five applications that consume the schema independently of the construction pipeline: ontology structure analysis, benchmark annotation auditing, entity disambiguation, domain customization, and LLM-guided extraction.

Extracting structured information from unstructured text is crucial for modeling real-world processes, but traditional schema mining relies on semi-structured data, limiting scalability. This paper introduces schema-miner, a novel tool that combines large language models with human feedback to automate and refine schema extraction. Through an iterative workflow, it organizes properties from text, incorporates expert input, and integrates domain-specific ontologies for semantic depth. Applied to materials science--specifically atomic layer deposition--schema-miner demonstrates that expert-guided LLMs generate semantically rich schemas suitable for diverse real-world applications.

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

Printed circuit board (PCB) schematic design defines nearly all electronic hardware, but it remains manual and expertise-intensive. While generative AI has advanced digital and analog IC design, PCB schematic generation from natural-language intent is largely unexplored. This paper presents SchGen, the first large language model that generates editable PCB schematics from natural-language requests. The key challenge lies in the lack of an LLM-suited representation and a large-scale dataset. Current schematic formats are dominated by verbose, tool-specific syntax and geometry-heavy descriptions, making them difficult to generate reliably. We introduce a semantically grounded code representation that encodes schematic editing primitives with relative placement and pin-name-based wiring, transforming a geometry-driven generation problem into a semantics-driven matching task amenable to LLMs. We further construct a large-scale dataset of PCB schematics paired with user prompts via a human-agent collaborative pipeline that converts open-source hardware designs into our representation. Experiments show that SchGen significantly outperforms alternative representations and even larger general-purpose LLMs on wire connectivity accuracy and functional correctness. Our results highlight the critical role of representation design in enabling generative models for complex hardware design tasks.

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

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

Universal information extraction (UIE) primarily employs an extractive generation approach with large language models (LLMs), typically outputting structured information based on predefined schemas such as JSON or tables. UIE suffers from a lack of adaptability when selecting between predefined schemas and on-the-fly schema generation within the in-context learning paradigm, especially when there are numerous schemas to choose from. In this paper, we propose a unified adaptive text-to-structure generation framework, called Schema as Parameterized Tools (SPT), which reimagines the tool-calling capability of LLMs by treating predefined schemas as parameterized tools for tool selection and parameter filling. Specifically, our SPT method can be applied to unify closed, open, and on-demand IE tasks by adopting Schema Retrieval by fetching the relevant schemas from a predefined pool, Schema Filling by extracting information and filling slots as with tool parameters, or Schema Generation by synthesizing new schemas with uncovered cases. Experiments show that the SPT method can handle four distinct IE tasks adaptively, delivering robust schema retrieval and selection performance. SPT also achieves comparable extraction performance to LoRA baselines and current leading UIE systems with significantly fewer trainable parameters.

Process Reward Models (PRMs) have recently emerged as a powerful framework for enhancing the reasoning capabilities of large reasoning models (LRMs), particularly in the context of test-time scaling (TTS). However, their potential for supervising LRMs on tabular reasoning domains remains underexplored. Through detailed empirical analyses, we identify that existing PRMs, though widely adopted for supervising text-only reasoning steps, struggle with table-specific operations such as sub-table retrieval and schema interaction, leading to critical performance bottlenecks. To address this limitation, we propose TaTToo, a novel table-grounded PRM framework that (i) reasons explicitly over tabular reasoning steps and (ii) integrates tool-based verification to provide precise reward supervision. Concretely, we first design a scalable data curation pipeline that constructs over 60k high-quality step-level annotations by integrating table verification rationales with tool-based executions. Building on the collected data, we train TaTToo with a dual-stage paradigm: cold-start supervised fine-tuning to capture tool-use reasoning patterns, followed by reinforcement learning with tool-grounded reward shaping to align our model with table-based verification. We provide a comprehensive evaluation of the policy improvement induced by our newly designed PRM. Across 5 challenging tabular reasoning benchmarks covering numerical reasoning, fact-checking, and data analysis, TaTToo improves downstream policy LRMs by 30.9% at inference, surpasses strong PRM baselines such as Qwen-2.5-Math-PRM-72B with only 8B parameters, and demonstrates strong generalizability across diverse TTS strategies.

Tool use extends large language models beyond parametric knowledge, but reliable execution requires balancing appropriate reasoning depth with strict structural validity. We approach this problem from a case-based perspective to present CAST, a case-driven framework that treats historical execution trajectories as structured cases. Instead of reusing raw exemplar outputs, CAST extracts case-derived signals to identify complexity profiles for estimating optimal reasoning strategies, alongside failure profiles to map likely structural breakdowns. The framework translates this knowledge into a fine-grained reward design and adaptive reasoning, enabling the model to autonomously internalize case-based strategies during reinforcement learning. Experiments on BFCLv2 and ToolBench demonstrate that CAST improves both schema-faithful execution and task-level tool-use success while reducing unnecessary deliberation. The approach achieves up to 5.85 percentage points gain in overall execution accuracy and reduces average reasoning length by 26%, significantly mitigating high-impact structural errors. Ultimately, this demonstrates how historical execution cases can provide reusable adaptation knowledge for calibrated tool use.

Can small language models achieve strong tool-use performance without complex adaptation mechanisms? This paper investigates this question through Meta-Tool, a controlled empirical study comparing hypernetwork-based LoRA adaptation against carefully designed few-shot prompting. Using a Llama-3.2-3B-Instruct backbone, we evaluate four adaptation mechanisms--few-shot prompting, documentation encoding, hypernetwork-generated LoRA weights, and value-guided beam search--across four diverse benchmarks: Gorilla APIBench, Spider 2.0, WebArena, and InterCode. Our central finding is a well-supported negative result: despite generating non-trivial weight matrices, the 227.8M-parameter hypernetwork provides no measurable improvement over few-shot prompting alone. Comprehensive ablation studies reveal that few-shot examples contribute +21.5% to performance and documentation contributes +5.0%, while the hypernetwork adds 0%. A 3B model with well-designed prompts achieves 79.7% of GPT-5's average performance at 10 times lower latency. Error analysis across 722 failure cases spanning all shot counts (0--5) shows that at the 5-shot configuration (106 failures), failure modes are task-dependent: schema-heavy tasks (Spider 2.0, WebArena) show near-zero format errors with remaining failures semantic, while format errors dominate on Gorilla (100%) and InterCode (70%). These findings redirect practitioners toward prompt engineering and example curation rather than complex adaptation architectures.

Tool-call judges evaluate argument values proposed by LLM agents. We find that they accept a correct value less often when their input holds no reference for it, that is, no text that says what the value should be. This happens when the value is a default value from the function schema that the user did not mention, when it has to be inferred, or when the text it comes from was cut from the judge input. We call this drop in acceptance the derivation gap. It appears across all seven judges we evaluate, including System One models CLM and Jev. The gap is not only a truncation artifact: correct default values have the largest gap on a benchmark with no truncation. A controlled source-relocation test shows that judges follow the reference in their input: they favor a visible incorrect value over a correct value whose source is hidden. We introduce DeRef (Derived Reference): a separate model reads the full history without seeing the candidate and writes a reference for the judge. Across three benchmarks, DeRef improves overall argument AUROC for all judges tested. On the controlled test, it raises AUROC from chance or below to between 98.40 and 99.59.

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

Recent 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).

Keyframe selection is a direct way to provide verifiable visual evidence for long-video question answering (QA). Queries differ in what they require, and finding the right frames depends on knowing what to look for. Existing keyframe selectors either score every frame against a single query, or decompose the query into a fixed schema evaluated by a single visual tool. We propose ToolMerge, a keyframe retrieval method based on decomposition and merging: an Large Language Model (LLM) based planner decomposes the query into tool calls and specifies how their per-tool rankings are merged using boolean operators. To evaluate retrieval directly, we construct Molmo-2 Moments (M2M), a benchmark in which every question is anchored to a specific time interval by construction. Across QA, question retrieval, and caption retrieval, ToolMerge is competitive with prior keyframe selectors, most notably on caption retrieval, outperforming other methods by 5%. Code and data can be found at https://github.com/michalsr/ToolMerge .

Tool use enables large language models to solve complex tasks through sequences of API calls, yet existing reinforcement learning approaches fail to scale to multi-step composition settings. Outcome-based rewards provide only sparse feedback, while trajectory-supervised rewards depend on annotated reference solutions, penalizing valid alternatives and limiting scalability. We propose TIER: Trajectory-Invariant Execution Rewards, a reward framework that derives supervision directly from function schemas and runtime execution, rather than from reference trajectories. The reward decomposes into format validity, schema adherence, execution success, and answer correctness, providing dense, interpretable sequence-level feedback derived from fine-grained verification of individual steps of tool use. This design allows any valid execution path to receive credit, naturally supporting multiple solution strategies and adapting to evolving tool interfaces. On DepthBench, a compositional benchmark stratified by depth (1 to 6 steps), TIER achieves >90% accuracy across steps, where trajectory-supervised rewards collapse beyond step-4. We further demonstrate consistent gains on benchmarks like BFCL v3 and NestFUL. Ablation studies confirm that all reward components are necessary, highlighting the importance of multi-level supervision for compositional reasoning.

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

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

Table reasoning requires models to jointly perform comprehensive semantic understanding and precise numerical operations. Although recent large language model (LLM)-based methods have achieved promising results, most of them still rely on a single-turn reasoning paradigm that processes flattened tables in a single forward pass. This paradigm suffers from inherent limitations, including context overflow on large tables, weak sensitivity to continuous numerical values, and the absence of explicit tool-use and reflection. In this paper, we propose TableMind, a tuning-based autonomous programmatic table agent that simulates the human-like cognitive schema of the multi-turn interaction within a lightweight LLM. Instead of adopting a training-free workflow design, TableMind learns to internalize planning, action, and reflection through a principled two-stage training strategy. To bootstrap structured table reasoning capabilities, we construct and filter high-quality reasoning data for the supervised fine-tuning (SFT) stage. To enable precise code generation, we introduce a designed multi-perspective reward scheme and a novel optimization objective in the reinforcement learning (RL) stage. Extensive experiments on diverse benchmarks demonstrate that TableMind consistently outperforms previous baselines, validating the effectiveness of training autonomous agents to improve overall performance.

LLM agents struggle with regulatory audit replay: when asked to reproduce a flagged transaction decision with identical inputs, many deployments fail to return consistent results. We introduce the Determinism-Faithfulness Assurance Harness (DFAH), a framework for measuring trajectory determinism, decision determinism, and evidence-conditioned faithfulness in tool-using agents deployed in financial services. Across 4,700+ agentic runs (7 models, 4 providers, 3 financial benchmarks with 50 cases each at T=0.0), we find that decision determinism and task accuracy are not detectably correlated (r = -0.11, 95% CI [-0.49, 0.31], p = 0.63, n = 21 configurations): models can be deterministic without being accurate, and accurate without being deterministic. Because neither metric predicts the other in our sample, both must be measured independently, which is precisely what DFAH provides. Small models (7-20B) achieve near-perfect determinism through rigid pattern matching at the cost of accuracy (20-42%), while frontier models show moderate determinism (50-96%) with variable accuracy. No model achieves both perfect determinism and high accuracy, supporting DFAH's multi-dimensional measurement approach. We provide three financial benchmarks (compliance triage, portfolio constraints, and DataOps exceptions; 50 cases each) together with an open-source stress-test harness. Across these benchmarks and DFAH evaluation settings, Tier 1 models with schema-first architectures achieved determinism levels consistent with audit replay requirements.

Large language models are trained to predict the next token, not to act inside a specific API. In niche enterprise SaaS workflows -- where success means hitting the right endpoint with the right nested arguments in the right order -- this objective mismatch shows up as silent failures: dropped required fields, hallucinated tools, or early stops after a single read. We ask whether Reinforcement Learning with Verifiable Rewards (RLVR), applied directly in the target environment, closes the gap. As a proof of concept we build a suite of five synthetic environments emulating the Jira REST v3 and Confluence v2 APIs at schema fidelity; rewards are computed entirely from the tool-call trace, with no live API, no learned judge, and no human label in the loop. Scoring prompted Qwen3-1.7B and Qwen3.5-4B on the same checkers that drive GRPO training, we find that on the four scenarios whose rewards are non-degenerate the RL-trained policy lifts average reward from a 4B-baseline range of 0.35--0.92 to 0.95--1.00, with the largest single gain on Confluence page creation (0.35 rightarrow 1.00). We position this as a preliminary step toward outcome-optimised small models for niche enterprise APIs, and foreground two limitations a workshop reader should weigh: hand-crafting verifiable rewards does not scale beyond the handful of endpoints reported here, and one of our five scenarios (ticket-transition) has a saturating reward shape that the prompted 4B already maxes out.

Tool-calling agents produce heterogeneous outputs, interleaving structured tool invocations with user-facing natural language summaries. This output heterogeneity presents a structural failure mode in standard on-policy Reinforcement Learning (RL): algorithms like GRPO indiscriminately broadcast a homogeneous trajectory-level scalar advantage to all tokens. Consequently, gradient noise from summary generation leaks into tool-decision tokens, causing cross-segment credit misattribution and brittle optimization. In this work, we propose SLCA-GRPO, a framework incorporating Segment-Locked Credit Assignment (SLCA). To enable scalable exploration without costly real APIs and stable training, we first construct the Schema-Guided LLM Simulator (SGLS) as foundational training infrastructure. Building on this, SLCA decouples advantage estimation at the structural segment level within a single group of rollouts, without requiring additional rollouts from intermediate states. Supported by Hierarchical Rewards (HierR), SLCA routes execution advantages to tool tokens and preference advantages to summary tokens, eliminating advantage contamination (the dominant cross-segment credit misattribution channel) within each policy update. On a 7B backbone, SLCA-GRPO accelerates convergence and outperforms standard GRPO, ToolPO, and RLTR by +2.53 pp on in-domain evaluation, +1.36 pp on the Berkeley Function-Calling Leaderboard (BFCL), and +9.15 pp on τ^2-Bench under the same training budgets, achieving higher accuracy with reduced tool redundancy and costs.

Large language models increasingly operate over large collections of tools, functions, APIs, and specialized agents. As the candidate action space grows, a function-calling model must process more schemas, consume more prompt tokens, and distinguish among increasingly similar or irrelevant alternatives. We study a complementary systems strategy: reduce the candidate set before language-model inference while leaving the downstream model unchanged. We introduce AgentWeave, a deterministic pre-inference routing layer that constructs a bounded model-visible action space using eligibility, requirement, capability, and routing signals. We evaluate AgentWeave with a frozen BFCL-derived routing-pressure protocol using the public MadeAgents/Hammer2.1-1.5b model. On 48 fresh BFCL V4 multiple-function tasks, AgentWeave achieves 6/48 (12.5%) native BFCL successes, whereas all-tools, deterministic random top-8, and semantic top-8 baselines each achieve 0/48. The paired success difference is +12.5 percentage points with a 10,000-resample paired bootstrap 95% confidence interval of +4.17 to +22.92 points and exact McNemar p=0.03125. Relative to all-tools exposure, AgentWeave presents 70.18% fewer tools, uses 61.70% fewer input tokens, and exhibits 50.95% lower mean local-model latency. The result is deliberately narrow: this is a BFCL-derived routing-pressure study rather than an official full BFCL leaderboard score, and absolute task success remains low. The evidence nevertheless shows that candidate-space construction can materially affect a fixed model's function-calling behavior and motivates evaluating routing as a distinct stage before model reasoning.

We introduce the MultiLang Code Parser Dataset (MLCPD), a large-scale, language-agnostic dataset unifying syntactic and structural representations of code across ten major programming languages. MLCPD contains over seven million parsed source files normalized under our proposed universal Abstract Syntax Tree (AST) schema, enabling consistent cross-language reasoning, structural learning, and multilingual software analysis. Unlike existing corpora that focus purely on token-level code or isolated parsers, MLCPD provides both hierarchical tree representations and rich metadata for every file, ensuring lossless syntactic coverage and structural uniformity. Each entry includes a normalized schema, language-level metadata, and abstracted node semantics stored in Parquet format for scalable retrieval. Empirical analyses reveal strong cross-language structural regularities-demonstrating that syntactic graphs from languages as diverse as Python, Java, and Go can be aligned under a shared schema. We release the dataset publicly on Hugging Face and the accompanying codebase on GitHub, which includes complete pipelines for dataset reproduction, grammar compilation, and a visualization tool for exploring the unified AST across languages. Together, these resources establish MLCPD as an open, reproducible foundation for future research in cross-language representation learning and program analysis.

Function-calling language models are essential for agentic AI systems that translate natural language into executable structured actions, yet existing models exhibit severe structural instability when applied to Arabic. We present AISA-AR-FunctionCall, a production-oriented Arabic function-calling framework built on a 270M-parameter FunctionGemma backbone and trained through systematic dataset auditing, schema repair, tool-aware prompt restructuring, and full-parameter supervised fine-tuning. On a held-out test set, fine-tuning reduces parse failures from 87\% to below 1\%, improves function name accuracy by more than eightfold, and substantially enhances argument alignment across dialects and domains. Error analysis reveals a transition from structural collapse to semantic misalignment, suggesting that serialization stability and decision-level reasoning are separable challenges. We further explore a reasoning-augmented LoRA variant that introduces explicit intermediate reasoning prior to tool invocation. All datasets and models are publicly released under the AISA framework.

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.

Schemas play a vital role in ensuring data quality and supporting usability in the Semantic Web and natural language processing. Traditionally, their creation demands substantial involvement from knowledge engineers and domain experts. Leveraging the impressive capabilities of large language models (LLMs) in tasks like ontology engineering, we explore schema generation using LLMs. To bridge the resource gap, we introduce two datasets: YAGO Schema and Wikidata EntitySchema, along with novel evaluation metrics. The LLM-based pipelines utilize local and global information from knowledge graphs (KGs) to generate schemas in Shape Expressions (ShEx). Experiments demonstrate LLMs' strong potential in producing high-quality ShEx schemas, paving the way for scalable, automated schema generation for large KGs. Furthermore, our benchmark introduces a new challenge for structured generation, pushing the limits of LLMs on syntactically rich formalisms.

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.

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.

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.

JSON Schema is an important, evolving standard schema language for families of JSON documents. It is based on a complex combination of structural and Boolean assertions, and features negation and recursion. The static analysis of JSON Schema documents comprises practically relevant problems, including schema satisfiability, inclusion, and equivalence. These three problems can be reduced to witness generation: given a schema, generate an element of the schema, if it exists, and report failure otherwise. Schema satisfiability, inclusion, and equivalence have been shown to be decidable, by reduction to reachability in alternating tree automata. However, no witness generation algorithm has yet been formally described. We contribute a first, direct algorithm for JSON Schema witness generation. We study its effectiveness and efficiency, in experiments over several schema collections, including thousands of real-world schemas. Our focus is on the completeness of the language, where we only exclude the uniqueItems operator, and on the ability of the algorithm to run in a reasonable time on a large set of real-world examples, despite the exponential complexity of the underlying problem.

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.

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.

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.

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

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 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.

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

Integrating external tools into Large Foundation Models (LFMs) has emerged as a promising approach to enhance their problem-solving capabilities. While existing studies have demonstrated strong performance in tool-augmented Visual Question Answering (VQA), recent benchmarks reveal significant gaps in real-world tool-use proficiency, particularly in functionally diverse multimodal settings requiring multi-step reasoning. In this work, we introduce ToolVQA, a large-scale multimodal dataset comprising 23K instances, designed to bridge this gap. Unlike previous datasets that rely on synthetic scenarios and simplified queries, ToolVQA features real-world visual contexts and challenging implicit multi-step reasoning tasks, better aligning with real user interactions. To construct this dataset, we propose ToolEngine, a novel data generation pipeline that employs Depth-First Search (DFS) with a dynamic in-context example matching mechanism to simulate human-like tool-use reasoning. ToolVQA encompasses 10 multimodal tools across 7 diverse task domains, with an average inference length of 2.78 reasoning steps per instance. The fine-tuned 7B LFMs on ToolVQA not only achieve impressive performance on our test set but also surpass the large close-sourced model GPT-3.5-turbo on various out-of-distribution (OOD) datasets, demonstrating strong generalizability to real-world tool-use scenarios.

We present PLSQLBench, to our knowledge the first benchmark for evaluating whether LLMs can write executable PL/SQL programs, with correctness measured through execution-based tests. Existing LLM evaluations largely target general-purpose code generation or declarative text-to-SQL, leaving procedural database programming underexplored. PLSQLBench contains 2,865 instances: 2,594 single-turn tasks and 271 multi-turn conversations spanning 978 turns. The benchmark combines complex schema-grounded tasks over enterprise-style Spider 2 databases, simpler schema-grounded tasks derived from Spider, and MBPP-derived procedural problems, covering varying levels of database grounding and procedural complexity. Experiments with eight LLMs reveal recurring difficulties in schema grounding, PL/SQL dialect fidelity, procedural control flow, exception handling, and cross-turn consistency. Tool-augmented LLM agents improve performance on several schema-grounded evaluations, although substantial gaps remain. These results highlight procedural database programming capabilities not directly assessed by conventional code generation or text-to-SQL benchmarks. Our code is available at https://github.com/oracle-samples/plsqlbench.

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.

This paper introduces a new ontology for Materials Science Laboratory Equipment, termed MSLE. A fundamental issue with materials science laboratory (hereafter lab) equipment in the real world is that scientists work with various types of equipment with multiple specifications. For example, there are many electron microscopes with different parameters in chemical and physical labs. A critical development to unify the description is to build an equipment domain ontology as basic semantic knowledge and to guide the user to work with the equipment appropriately. Here, we propose to develop a consistent ontology for equipment, the MSLE ontology. In the MSLE, two main existing ontologies, the Semantic Sensor Network (SSN) and the Material Vocabulary (MatVoc), have been integrated into the MSLE core to build a coherent ontology. Since various acronyms and terms have been used for equipment, this paper proposes an approach to use a Simple Knowledge Organization System (SKOS) to represent the hierarchical structure of equipment terms. Equipment terms were collected in various languages and abbreviations and coded into the MSLE using the SKOS model. The ontology development was conducted in close collaboration with domain experts and focused on the large-scale devices for materials characterization available in our research group. Competency questions are expected to be addressed through the MSLE ontology. Constraints are modeled in the Shapes Query Language (SHACL); a prototype is shown and validated to show the value of the modeling constraints.

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.

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.

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.

Vision-language models (VLMs) read an image and produce text in a single forward pass, whereas radiologists typically inspect an image several times and consult the literature before writing a report. We introduce GAZE (Grounded Agentic Zero-shot Evaluation), a framework that lets a medical VLM work in this iterative way by calling viewer-level tools (zoom, windowing, contrast, edge detection) and two retrieval tools backed by the U.S. National Library of Medicine (PubMed for medical literature, Open-i for radiological images), with structured outputs validated against a schema and full tool-call traces recorded for auditability. On NOVA, a benchmark of 906 brain MRI cases covering 281 rare neurological conditions, GAZE reaches 58.2 mean average precision (mAP) at intersection-over-union (IoU) 0.3 for lesion localisation and 34.9% Top-1 diagnostic accuracy under a joint protocol that scores captioning, diagnosis, and localisation from the image alone, without task-specific fine-tuning. Before any tool is used, structured prompting and schema-validated outputs already improve over the published Gemini 2.0 Flash baseline (20.2 to 29.4 mAP@0.3), so framework design is itself an experimental variable. Tool use helps rare pathologies disproportionately: the fraction of cases with IoU > 0.3 rises from 17% to 58% for diagnoses with three or fewer examples versus 25% to 68% for common conditions (geq10 cases), with gains tracking engagement (Gemini 3 Flash: Cohen's d = 0.79, 11.8 tool calls per case; Gemini 2.0 Flash: tools used in 8.2% of cases, no significant benefit). Retrieval ablations additionally reveal a model-dependent trade-off in which gains in diagnosis can coincide with losses in localisation, reinforcing the case for joint evaluation of diagnosis, localisation, and captioning in medical VLMs.

Tool-calling agents have become central to enterprise AI, yet training and evaluating them at scale remains severely constrained due to business and legal restrictions on enterprise systems, data, and database schemas. Tabular data synthesis offers a natural alternative, but its effectiveness is fundamentally limited by structural validity and schema availability, while procedure-based approaches yield the opposite weakness, typically lacking distributional fidelity without per-domain authoring. We introduce **Synthesis Through Simulation** (STS), a **schema--free** data synthesis paradigm in which an LLM agent generates data by executing operations against policy-enforcing APIs within simulated enterprise environments. Because data is generated through the same environment that defines what is valid, STS guarantees structural validity by construction while decoupling validity enforcement from distribution modeling, allowing each to be addressed independently. The **Generalist Populator** (GP), STS's domain-agnostic agent, addresses the remaining challenges of distributional fidelity and synthesis scalability: GP achieves **0.88** average marginal fidelity and **100\% constraint satisfaction** across all ten environments *without access to DB schemas*, while statistical synthesizers are inapplicable to seven due to necessary seed data requirements, and schema-privileged agents fail 82\% of trajectories on airline environment's tightly coupled workflows due to brittle task composition. We open-source the full framework, all ten environments, and generated datasets at https://github.com/SAP/synthesis-through-simulation.

Structured output, where an LLM populates a predefined JSON schema, has become a default mechanism for data labeling and information extraction, but it also introduces a second instruction channel through schema descriptions. We tested whether classification-label definitions are better placed in the system prompt, user prompt, or schema description using a single-field classification task with nonce labels across ten model configurations from two vendors. Schema descriptions did not consistently outperform prompt-based placement; for GPT-4.1 and GPT-5.4 without reasoning, schema placement underperformed system prompts by 11-13 percentage points. Yet schemas are not inert metadata: when prompts and schemas conflicted, incorrect schema instructions caused accuracy drops of 5-45 points, with Claude Haiku 4.5 falling from 52.5% to 7%, indicating that schema instructions can override prompt instructions, and GPT-5.5 falling from 100% to 73%. Further, adding a required intermediate reasoning field before the label field improved schema-only accuracy by 15-24 points when headroom existed, exceeding system-prompt-only performance in every case tested. The effect held even for Claude Sonnet 4.6 at medium reasoning, where extended thinking alone did not produce a comparable gain. This suggests that schema design can affect how effectively models use information encoded in field descriptions. Overall, these results indicate that schema influence is model-dependent. In practice, the system prompt remains a safe default for definitions, but the bigger discipline is maintaining a single source of truth and preventing prompt/schema drift. More importantly, schema design itself may be a stronger lever than instruction placement. Practitioners should treat prompts and schemas as a unified instruction surface and empirically validate both placement and field design for their target model.

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.

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.

Automatically and accurately identifying user intents and filling the associated slots from their spoken language are critical to the success of dialogue systems. Traditional methods require manually defining the DOMAIN-INTENT-SLOT schema and asking many domain experts to annotate the corresponding utterances, upon which neural models are trained. This procedure brings the challenges of information sharing hindering, out-of-schema, or data sparsity in open-domain dialogue systems. To tackle these challenges, we explore a new task of {\em automatic intent-slot induction} and propose a novel domain-independent tool. That is, we design a coarse-to-fine three-step procedure including Role-labeling, Concept-mining, And Pattern-mining (RCAP): (1) role-labeling: extracting keyphrases from users' utterances and classifying them into a quadruple of coarsely-defined intent-roles via sequence labeling; (2) concept-mining: clustering the extracted intent-role mentions and naming them into abstract fine-grained concepts; (3) pattern-mining: applying the Apriori algorithm to mine intent-role patterns and automatically inferring the intent-slot using these coarse-grained intent-role labels and fine-grained concepts. Empirical evaluations on both real-world in-domain and out-of-domain datasets show that: (1) our RCAP can generate satisfactory SLU schema and outperforms the state-of-the-art supervised learning method; (2) our RCAP can be directly applied to out-of-domain datasets and gain at least 76\% improvement of F1-score on intent detection and 41\% improvement of F1-score on slot filling; (3) our RCAP exhibits its power in generic intent-slot extractions with less manual effort, which opens pathways for schema induction on new domains and unseen intent-slot discovery for generalizable dialogue systems.

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

Precise instruction-following is a fundamental ability of large language models (LLMs), requiring their outputs to strictly satisfy objective constraints in input instructions. In complex application scenarios, these constraints often possess diverse scopes that govern specific response segments rather than the entire output. However, existing optimization methods often neglect constraint scope during data construction and rely on binary per-constraint rewards, yielding limited data diversity and sparse supervision for complex constraints. To this end, we propose ScopeIF, a novel training framework for scope-aware precise instruction-following. We first introduce a unified schema that factorizes objective constraints into three decoupled dimensions: Scope, Target, and Range. Grounded in this schema, we construct ScopeInstruct, a large-scale instruction dataset with diverse scope-aware constraints, and combine tool-grounded verification with graded reward modeling to quantify the violation degree of each constraint, providing dense supervision for policy optimization. Extensive experiments demonstrate that ScopeIF consistently outperforms existing methods, particularly on complex scope-aware constraints, while preserving general capabilities. Notably, it enables optimized Qwen3-4B and 8B models to rival or surpass strong frontier models such as Gemini-2.5-Pro and DeepSeek-V3.2, establishing an effective paradigm for advancing scope-aware instruction-following. Our code and data are available at https://github.com/thu-coai/ScopeIF.

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 .

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

AI evaluation results are produced at scale but reported inconsistently across leaderboards, model cards, benchmark papers, and company blogs. The cost is interpretive: readers cannot reliably compare results across sources, identify what a report omits, or trace an aggregate claim to its underlying evidence. Recent efforts address isolated components but leave three gaps: they cover only narrow slices of the evaluation lifecycle and do not compose into a single interpretable record; they specify static representations that do not differentiate the questions different stakeholders bring to the same evidence; and they remain proposals on paper, lacking the extraction infrastructure required for adoption at scale. We present , an operational reporting layer that composes benchmark metadata, evaluation run data, and model metadata into a unified record. We (1) derive a reporting schema from a structured review of 52 papers and 10 stakeholder interviews, (2) implement four interpretive signals (reproducibility, documentation completeness, provenance and risk, and score comparability), rendered through reader modes calibrated to research and non-research audiences, and (3) deploy a monitoring tool that applies across 5,816 models, 635 benchmarks, and 101,843 results, surfacing systematic gaps in current reporting practice.

Data agents aim to fulfill natural-language instructions over heterogeneous data, including tables, files, and databases. However, data agents face a challenging agent-data gap: heterogeneous data resides outside the agent, while the agent can access it (e.g., column names and file paths) only through generic tools. Existing approaches either let agents directly explore raw data sources or inject manually constructed semantic layers into prompts. However, neither scales well to large heterogeneous data sources nor adapts to different agent behaviors. In this paper, we introduce EvoOntology, a self-evolving ontology layer for data agents. EvoOntology encapsulates the ontology as an MCP server comprising a schema layer, a content layer, and a tool layer, enabling agents to actively query and interact with the ontology at runtime. To this end, we introduce a builder agent for autonomous ontology construction and a self-evolution loop that continuously refines the ontology through attribution-guided typed edits that are accepted only after a backbone-conditional paired evaluation. Experiments on three well-adopted data-agent benchmarks with four LLM backbones demonstrate that EvoOntology consistently outperforms strong baselines and existing semantic-layer approaches, effectively bridging the agent-data gap and enabling more effective interaction with heterogeneous data. Code: https://github.com/ruc-datalab/EvoOntology

Agentic LLM systems that generate code through multi-turn tool use face a fundamental context problem: each session starts from zero, discarding the configuration choices, domain constraints, data schemas, and tool-use patterns that made previous sessions productive. Naively persisting entire conversation histories is token-inefficient and counterproductive: irrelevant context degrades generation quality. We introduce shared selective persistent memory, an architecture that identifies and retains four categories of reusable context (task specifications, data schemas, tool configurations, and output constraints) while discarding session-specific reasoning traces. Crucially, this memory is shared: workspaces encapsulating selective memory can be transferred across users with role-based access control, enabling collaborative reuse without redundant specification. We implement it in a deployed collaborative workspace platform where LLM agents produce, edit, and maintain git-versioned artifacts (dashboards, reports, and data-driven documents) from heterogeneous sources (CSV, SQL, REST APIs, and MCP servers). A complementary zero-token data refresh mechanism decouples generated programs from runtime data, enabling artifact reuse without re-invocation. Across three enterprise scenarios, shared selective persistent memory achieves 96% task completion (vs. 79% without memory and 71% with full history). Zero-token refresh eliminates LLM re-invocation for recurring updates (14x task-time reduction), while summary-driven generation cuts per-invocation token cost by 97x versus raw data injection. A replication on four public datasets confirms generalizability, with zero-token refresh succeeding in 12/12 trials. Notably, naive full-history persistence actively degrades completion by biasing the agent with stale traces, while selective memory outperforms both extremes.

Diffusion large language models (DLLMs) have emerged as an alternative to autoregressive (AR) decoding with appealing efficiency and modeling properties, yet their implications for agentic multi-step decision making remain underexplored. We ask a concrete question: when the generation paradigm is changed but the agent framework and supervision are held fixed, do diffusion backbones induce systematically different planning and tool-use behaviors, and do these differences translate into end-to-end efficiency gains? We study this in a controlled setting by instantiating DLLM and AR backbones within the same agent workflow (DeepDiver) and performing matched agent-oriented fine-tuning on the same trajectory data, yielding diffusion-backed DLLM Agents and directly comparable AR agents. Across benchmarks and case studies, we find that, at comparable accuracy, DLLM Agents are on average over 30% faster end to end than AR agents, with some cases exceeding 8x speedup. Conditioned on correct task completion, DLLM Agents also require fewer interaction rounds and tool invocations, consistent with higher planner hit rates that converge earlier to a correct action path with less backtracking. We further identify two practical considerations for deploying diffusion backbones in tool-using agents. First, naive DLLM policies are more prone to structured tool-call failures, necessitating stronger tool-call-specific training to emit valid schemas and arguments. Second, for multi-turn inputs interleaving context and action spans, diffusion-style span corruption requires aligned attention masking to avoid spurious context-action information flow; without such alignment, performance degrades. Finally, we analyze attention dynamics across workflow stages and observe paradigm-specific coordination patterns, suggesting stronger global planning signals in diffusion-backed agents.

Large language model agents increasingly store reusable procedures outside the model. These reusable procedures are often called skills: they may be code functions, natural-language instructions, SKILL.md packages, workflow graphs, or learned adapters that a future agent can retrieve and invoke. This taxonomy-driven survey asks how such skill libraries change over time. Across a 124-paper 2023--2026 audit set, we synthesize dynamic skill systems as lifecycle-managed, verified, evolving artifact stores: agents collect evidence from interaction, propose skill updates, verify and admit candidates, organize them for retrieval and composition, repair or prune stale entries, and govern sharing through provenance and rollback. We organize the literature around three survey tools. First, a six-sense taxonomy distinguishes the structurally different artifacts called ``skills'' in current papers. Second, an eight-stage lifecycle architecture identifies the recurring design decisions behind evidence acquisition, proposal, verification/admission, storage, retrieval/composition, maintenance, distillation/portability, and governance. Third, a lightweight skill-record schema and ten-operator vocabulary provide common terms for comparing library updates without elevating them into a separate method contribution. Using this structure, we synthesize evidence-graded patterns with explicit caveats: admission and repair are repeatedly important, verifier quality materially affects skill-aware RL, flat retrieval can degrade as libraries grow, and current benchmarks still under-report library trajectories, usage--utility gaps, and safety surfaces. We close with concrete reporting standards and open problems for evaluating dynamic skills as changing libraries rather than static prompt or tool collections.

The rapid expansion of capabilities in Large Language Model (LLM) agents has exposed a critical architectural bottleneck: when agents are given access to a flat, monolithic registry of tools, the model must evaluate hundreds or thousands of options simultaneously. This leads to decision-space explosion, context window saturation, and degraded routing accuracy. To address these limitations, this paper presents a hierarchical, skill-based architecture for agentic orchestration. Capabilities are organized as a rooted tree where internal nodes make routing decisions and leaf nodes execute deterministic tasks. The runtime enforces a single-step execution loop governed by a Last-In-First-Out (LIFO) stack, giving the agent a form of memory akin to a Pushdown Automaton, therefore enabling it to track nested execution contexts and resume deterministically from any depth. Capability discovery follows a manifest-driven, lazy-loading protocol: only the immediate children of the active node are loaded, so memory and prompt costs scale with the explored path rather than the global registry. By replacing global memory with localized stack frames, the architecture prevents outputs from one execution branch from leaking into another, establishing the isolation guarantees required for deployment in regulated enterprise environments. We also discuss UPI Help, an AI-powered digital payments support product, as a motivating production deployment context. We provide a mathematical formalization of the orchestration state, detailed algorithmic analysis of the execution loop, and controlled benchmarks comparing flat and hierarchical routing under increasing tool catalogs, multi-step workflow pressure, and visible schema-token exposure per LLM call.

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

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.

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 .

Most modern Text2SQL systems prompt large language models (LLMs) with entire schemas -- mostly column information -- alongside the user's question. While effective on small databases, this approach fails on real-world schemas that exceed LLM context limits, even for commercial models. The recent Spider 2.0 benchmark exemplifies this with hundreds of tables and tens of thousands of columns, where existing systems often break. Current mitigations either rely on costly multi-step prompting pipelines or filter columns by ranking them against user's question independently, ignoring inter-column structure. To scale existing systems, we introduce \toolname, an open-source, LLM-efficient schema filtering framework that compacts Text2SQL prompts by (i) ranking columns with a query-aware LLM encoder enriched with values and metadata, (ii) reranking inter-connected columns via a lightweight graph transformer over functional dependencies, and (iii) selecting a connectivity-preserving sub-schema with a Steiner-tree heuristic. Experiments on real datasets show that \toolname achieves near-perfect recall and higher precision than CodeS, SchemaExP, Qwen rerankers, and embedding retrievers, while maintaining sub-second median latency and scaling to schemas with 23,000+ columns. Our source code is available at https://github.com/thanhdath/grast-sql.

The ability to design a tool for a task marks a level of intelligence beyond merely understanding, selecting, or using one. Existing methods for robotic tool design typically optimize a tool's continuous shape and action within a structure that is prescribed or generated beforehand, so the structure itself stays outside the physical optimization loop. We study task-driven tool design from scratch, where tool structure, shape, and action are all derived from the desired physical outcome. Here we show that the three elements can be designed jointly by HOT, a hierarchical optimization whose upper level searches over discrete tool structures with BASS, while lower-level physical optimization evaluates their task behavior and returns milestone progress as behavioral evidence for the search, ultimately providing jointly optimized shape and action. On four tool-use tasks with distinct physical functions, HOT discovers functional structures after evaluating only a small fraction of search spaces containing up to 56 million structures, and the subsequent refinement of their geometry lowers the task loss on all tasks while preserving success, through deformations that are functionally interpretable. Once 3D printed, the tools accomplish all tasks on a real robot with the actions found in simulation. Designing tools from required physical effects, rather than a catalog of known tools, is a step toward the open-ended tool making seen in humans and animals.

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

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 .

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

Recently, integrating external tools with Large Language Models (LLMs) has gained significant attention as an effective strategy to mitigate the limitations inherent in their pre-training data. However, real-world systems often incorporate a wide array of tools, making it impractical to input all tools into LLMs due to length limitations and latency constraints. Therefore, to fully exploit the potential of tool-augmented LLMs, it is crucial to develop an effective tool retrieval system. Existing tool retrieval methods primarily focus on semantic matching between user queries and tool descriptions, frequently leading to the retrieval of redundant, similar tools. Consequently, these methods fail to provide a complete set of diverse tools necessary for addressing the multifaceted problems encountered by LLMs. In this paper, we propose a novel modelagnostic COllaborative Learning-based Tool Retrieval approach, COLT, which captures not only the semantic similarities between user queries and tool descriptions but also takes into account the collaborative information of tools. Specifically, we first fine-tune the PLM-based retrieval models to capture the semantic relationships between queries and tools in the semantic learning stage. Subsequently, we construct three bipartite graphs among queries, scenes, and tools and introduce a dual-view graph collaborative learning framework to capture the intricate collaborative relationships among tools during the collaborative learning stage. Extensive experiments on both the open benchmark and the newly introduced ToolLens dataset show that COLT achieves superior performance. Notably, the performance of BERT-mini (11M) with our proposed model framework outperforms BERT-large (340M), which has 30 times more parameters. Furthermore, we will release ToolLens publicly to facilitate future research on tool retrieval.

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.

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

Learning to complete tasks in unfamiliar environments with unknown rules remains a key challenge for LLM agents. Current LLM agents often record their discoveries in prose, which may not provide a compact, explicit account of how the environment works. Inspired by how scientists organize observations into testable, predictive theories, we introduce Schema, an agent harness that organizes learning and action through interactive program induction. The LLM agent decides what to investigate and how to act, expressing its evolving understanding of the environment as executable programs. The harness consists of a persistent program workspace and a small set of interfaces for checking these programs against the interaction history, planning within them, and executing plans under step-by-step verification. Schema raises ARC-AGI-3 RHAE from 58.7% to 99.2% with the same base model, solves 100% of the public DiG-bench games, and reaches the median performance of the top-50 human players on MazeBench. Extensive analysis shows the effectiveness of Schema in unknown mechanism discovery, and ablations confirm the contribution of each component.

Tool-Integrated Reasoning (TIR) has emerged as a promising direction by extending Large Language Models' (LLMs) capabilities with external tools during reasoning. Existing TIR methods typically rely on external tool documentation during reasoning. However, this leads to tool mastery difficulty, tool size constraints, and inference inefficiency. To mitigate these issues, we explore Tool-Internalized Reasoning (TInR), aiming at facilitating reasoning with tool knowledge internalized into LLMs. Achieving this goal presents notable requirements, including tool internalization and tool-reasoning coordination. To address them, we propose TInR-U, a tool-internalized reasoning framework for unified reasoning and tool usage. TInR-U is trained through a three-phase pipeline: 1) tool internalization with a bidirectional knowledge alignment strategy; 2) supervised fine-tuning warm-up using high-quality reasoning annotations, and 3) reinforcement learning with TInR-specific rewards. We comprehensively evaluate our method across in-domain and out-of-domain settings. Experiment results show that TInR-U achieves superior performance in both settings, highlighting its effectiveness and efficiency.

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.

Existing Tool-Integrated Reasoning (TIR) models have effectively extended the question-answering capabilities of LLMs by incorporating external tools. However, real-world scenarios present numerous open-ended problems where fixed tools often fail to meet task requirements. Furthermore, the lack of self-optimization mechanisms means that erroneous tool outputs can mislead the LLM's responses. Additionally, the construction of existing tools entails significant manual effort, which consequently constrains their applicability. Recognizing that the reasoning traces of LLMs encapsulate implicit problem-solving capabilities, we propose UCT, a novel training-free framework that transforms agents from tool users to tool creators. This approach harvests reasoning experiences and distills them into reusable assets. This method transforms the agent from a mere tool user into a tool creator, enabling adaptive tool creation and self-updating during the inference process. We also introduce a memory consolidation mechanism to maintain the tool library, ensuring high reusability of retained experiential memory for subsequent reasoning tasks. This novel automated tool construction paradigm continuously improves tool quality during reasoning, allowing the overall agent system to progress without additional training. Extensive experiments demonstrate that our method serves as a novel paradigm for enhancing the capabilities of TIR models. In particular, the significant performance gains achieved +20.86%uparrow and +23.04%uparrow on benchmarks across multi-domain mathematical and scientific reasoning tasks validate the self-evolving capability of the agent.

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.

Prior work synthesizes tool-use LLM datasets by first generating a user query, followed by complex tool-use annotations like depth-first search (DFS). This leads to inevitable annotation failures and low efficiency in data generation. We introduce ToolGrad, an agentic framework that inverts this paradigm. ToolGrad first constructs valid tool-use chains through an iterative process guided by textual "gradients", and then synthesizes corresponding user queries. This "answer-first" approach led to ToolGrad-500, a dataset generated with more complex tool use, lower cost, and almost 100% pass rate. Experiments show that ToolGrad models outperform those trained on expensive baseline datasets and proprietary LLMs. The ToolGrad source code, dataset, and models are available at https://github.com/zhongyi-zhou/toolgrad.

Image Schemas are repetitive cognitive patterns that influence the way we conceptualize and reason about various concepts present in speech. These patterns are deeply embedded within our cognitive processes and are reflected in our bodily expressions including gestures. Particularly, metaphoric gestures possess essential characteristics and semantic meanings that align with Image Schemas, to visually represent abstract concepts. The shape and form of gestures can convey abstract concepts, such as extending the forearm and hand or tracing a line with hand movements to visually represent the image schema of PATH. Previous behavior generation models have primarily focused on utilizing speech (acoustic features and text) to drive the generation model of virtual agents. They have not considered key semantic information as those carried by Image Schemas to effectively generate metaphoric gestures. To address this limitation, we introduce META4, a deep learning approach that generates metaphoric gestures from both speech and Image Schemas. Our approach has two primary goals: computing Image Schemas from input text to capture the underlying semantic and metaphorical meaning, and generating metaphoric gestures driven by speech and the computed image schemas. Our approach is the first method for generating speech driven metaphoric gestures while leveraging the potential of Image Schemas. We demonstrate the effectiveness of our approach and highlight the importance of both speech and image schemas in modeling metaphoric gestures.

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

Large language models deployed as agents over large tool catalogs face a critical tool-retrieval bottleneck. As embedding-based retrieval approaches rely on compact encoders that may under-capture specialized tool semantics, parametric tool retrieval addresses this by encoding each tool as a virtual token appended to the LLM vocabulary, fine-tuned in two stages (memorization then retrieval SFT) to use the LLM as a retriever, achieving strong performance on standard ToolBench retrieval benchmarks. Yet these benchmarks use verbose, fully-specified queries, and their evaluation applies constrained decoding that restricts outputs to valid token paths, neither reveals whether the model actually understands its tools. We introduce ToolSense, an open-source LLM-powered diagnostic framework that takes any tool catalog as input and automatically generates three benchmarks: a Realistic Retrieval Benchmark (RRB) with queries at three ambiguity tiers, an MCQ probing benchmark, and a QA probing benchmark. Applying ToolSense to ToolBench (~47k tools) and evaluating five parametric model training configurations reveals a knowledge-retrieval dissociation: on RRB queries, several configurations collapse by ~50-64 percentage points compared to fully-specified ToolBench benchmarks, falling below the embedding-model baseline. Additionally, despite strong retrieval performance, some models score near-random on factual probes, suggesting a knowledge-retrieval dissociation. We open-source the ToolSense framework and the ToolBench diagnostic benchmarks at https://github.com/SAP/toolsense.

Schema matching -- the task of finding matches between attributes across disparate data sources with different tables and hierarchies -- is critical for creating interoperable machine learning (ML)-ready data. Addressing this fundamental data-centric problem has wide implications, especially in domains like healthcare, finance and e-commerce -- but also has the potential to benefit ML models more generally, by increasing the data available for ML model training. However, schema matching is a challenging ML task due to structural/hierarchical and semantic heterogeneity between different schemas. Previous ML approaches to automate schema matching have either required significant labeled data for model training, which is often unrealistic or suffer from poor zero-shot performance. To this end, we propose Matchmaker - a compositional language model program for schema matching, comprised of candidate generation, refinement and confidence scoring. Matchmaker also self-improves in a zero-shot manner without the need for labeled demonstrations via a novel optimization approach, which constructs synthetic in-context demonstrations to guide the language model's reasoning process. Empirically, we demonstrate on real-world medical schema matching benchmarks that Matchmaker outperforms previous ML-based approaches, highlighting its potential to accelerate data integration and interoperability of ML-ready data.

Schema graphs are an upstream bottleneck of schema-grounded information extraction and knowledge graph construction, yet most extraction systems assume the schema is already available. We introduce SCOPE (Schema Construction and Ontology-induction Pipeline Evaluation), a train-text-only benchmark for corpus-to-schema induction and optional schema fusion from raw text, built from 24 public information extraction sources (15 RE and 9 EE) normalized into evaluation-only gold schema graphs; its core event-extraction target covers event types and within-event argument roles, with inter-event links reported separately. We present SCION (Schema Construction and Induction with Ontology Normalization), an auditable reference pipeline rather than a new extraction architecture; it constructs candidate spaces from train text and restricts naming, merging, filtering, validation, and conservative fusion to candidate-linked evidence under strict JSON contracts. On the SCOPE core suite, SCION-lite attains the highest F1 among released source-schema references, Text2Onto-style, LLM-only, and matched extract-then-aggregate baselines under Literal, Fuzzy, Continuous, and Graph schema-graph metrics, while the compact open-model SCION-RL variant reduces reliance on proprietary LLM schema engineers. These results are reported against normalized typed-edge targets rather than as claims that induced schemas surpass human ontology design; the release includes evidence-linked outputs, parse/fallback logs, candidate retention/merging logs, run manifests, code, and benchmark packages at https://github.com/wandugu/paper_scion.

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.

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.

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.