Tool

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Period ending 2026-09-21

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180 papers

Latest in Tool

Jul 3, 2026cs.AI

VERITAS: Towards a General-Purpose Replication Tool for Scientific Research

AI tools are accelerating scientific publication while the systems that review it struggle to keep up, and independent verification of published research has become both harder and more important. As manual replication is slow and expensive, a growing line of work uses coding agents to automate parts of the process. Existing efforts are largely packaged as benchmarks with companion agents that only run inside the benchmark's own pipeline, and no general-purpose replication tool exists. We present VERITAS, a domain-agnostic replication framework built around CLI coding agents. Given a paper, a code repository, or both, VERITAS extracts the paper's claims, runs the methodology while resolving issues as they arise, and judges each claim against the evidence from experiment runs. The pipeline returns an importance-weighted Replication Score, a severity-rated log of every fix applied, and the patched codebase. We evaluate VERITAS on CORE-Bench and ReplicationBench, 65 papers spanning computer science, social science, medicine, and astrophysics. Against two strong Claude Code baselines on the same model and host environment, VERITAS achieves state-of-the-art performance and leads on every metric on both benchmarks.
Haokun Liu, Filbert Aurelian Tjiaranata, Chenhao Tan
Jul 3, 2026cs.SE

Determinants and Limits of LLM Security-Tool Orchestration: A Study with HexStrike-AI

Large language model agents driving security tool suites over the Model Context Protocol are increasingly common. Yet the factors that bound their capability remain poorly characterized: how much depends on the model versus the client that drives it, whether constraining the agent to the orchestrator's own tools helps, and where capability is limited by reasoning rather than by missing tools. Using HexStrikeAI, an open-source orchestrator that exposes 150+ tools, as a testbed, we follow a methodology that evaluates the system, diagnoses its failures, and applies targeted improvements. We run 86 picoCTF challenges across seven categories and three difficulty tiers, under three tool-access regimes and three model/client configurations (774 trials). We then apply corrections to existing tools, agent-behavior changes, and eleven new capability tools, and re-run the previously-unsuccessful trials. The diagnosis isolates the driving client as a first-order factor for a fixed model (a 2.1 * gap between two DeepSeek clients) and a monotonic difficulty gradient, with the largest gains in the mid tier. The overall solve rate rises from 55.4% to 72.0%, and every configuration improves significantly (paired McNemar p < 0.001, non-overlapping 95% confidence intervals). The residual failures are reasoning- or environment-bound rather than missing-tool. A 60-run stability sub-study finds single-run verdicts reproducible (17/20 unanimous). We discuss what the results imply for how such orchestrators should be evaluated, and we are explicit about the limits: the study uses a single benchmark, the fixes were tuned on the same challenges they were evaluated on, and the client effect is demonstrated for one model only, so its generality to other models remains a hypothesis.
Romain Gerard, Assmaa Zeghaider, Yan Guo
Jul 1, 2026cs.AI

Can Agents Generalize to the Open World? Unveiling the Fragility of Static Training in Tool Use

While Large Language Model (LLM) agents demonstrate proficiency in static benchmarks, their deployment in real-world scenarios is hindered by the dynamic nature of user queries, tool sets, and interaction dynamics. To address this generalization gap, we formalize OpenAgent (Tool-Use Agent in Open-World), a problem setting characterized by distributional shifts across query, action, observation, and domain dimensions. To systematically diagnose its impact, we construct a controlled sandbox environment where we define fine-grained environmental shifts across a four-tier hierarchy, Perception, Interaction, Reasoning, and Internalization, and conduct a comprehensive series of experiments. Our analysis yields a series of key insights, demonstrating that agents trained via both Supervised Fine-Tuning(SFT) and Reinforcement Learning suffer from varying degrees of performance degradation when confronting open environmental shifts. Building on these insights, we propose Perturbation-Augmented Fine-Tuning, a disturbance-based intervention strategy for SFT that lays the foundation for enhancing agent robustness and utility in realistic environments. Our code will be released at: https://github. com/LAMDA-NeSy/OpenAgent.
Song-Lin Lv, Weiming Wu, Rui Zhu +2
Jul 1, 2026cs.CL

Beyond Document Grounding: Span-Level Hallucination Detection over Code, Tool Output, and Documents

Hallucination detection for retrieval-augmented generation (RAG) is usually evaluated on natural-language document evidence. However, grounded generation systems increasingly rely on structured inputs: source code, developer-tool output, markdown documents, tables, and repository metadata. We introduce a unified benchmark for span-level hallucination detection over code, tool output, structured documents, and existing natural-language RAG datasets. The benchmark is built by starting from grounded correct answers, injecting localized hallucinations with exact character labels, and validating the code test split with evidence-based review. Our fine-tuned Qwen3.5-2B detector reaches 0.689 span-F1 on the unified test set and 0.60 on the code-agent source, where it substantially outperforms LettuceDetect-large (0.17) and the strongest zero-shot LLM judges we evaluated (at most 0.22). The same model remains competitive on established natural-language benchmarks, with 81.8 RAGTruth example-F1 and 0.724 English PsiloQA IoU.
Ádám Kovács, Bowei He, Xue Liu +3
Jul 1, 2026cs.CL

Speech Playground: An Interactive Tool for Speech Analysis and Comparison

This paper presents Speech Playground, an interactive speech visualization and comparison tool. While existing tools such as Praat are excellent, it can be cumbersome to integrate them with modern deep learning representations and use them for comparison. Speech Playground addresses this by combining a Python backend with a web-based frontend for interactive exploration of multiple feature types, including continuous, discrete, and variable-length representations. It includes TextGrid and forced alignment support together with configurable distance and alignment settings for visual and auditory comparison. Speech Playground is intended for use in speech research, representation validation, and computer-aided pronunciation training (CAPT)-oriented experimentation.
Stephen McIntosh, Daisuke Saito, Nobuaki Minematsu
Jun 29, 2026cs.RO

GROW2^2: Grounding Which and Where for Robot Tool Use

Can the robot use a plate to cut a cake if no knife is available? Tool use greatly expands robot capabilities, but to use tools creatively beyond their intended functions, the robot faces the challenge of open-world affordance grounding\textit{open-world affordance grounding}: select an open-category object to act as a tool and localize its specific region of action. To this end, we introduce GROW2^2 (GROunding Which and Where), which leverages object parts as a natural abstraction to split the grounding process hierarchically into semantic and geometric levels, thus bypassing the need for data-heavy, end-to-end training. Semantically, GROW2^2 harnesses the commonsense reasoning of Vision-Language Models (VLMs) to parse a natural-language task instruction, select a suitable object as the tool, and identify task-relevant parts on the tool and the target object. Geometrically, vision foundation models then ground the selected parts into precise 3D regions from a single RGB-D image. Experiments on established benchmarks show that GROW2^2 outperforms state-of-the-art baselines on affordance prediction benchmarks. Further, it achieves zero-shot generalization over open-category objects and outperforms baselines in both simulated and real-world robot tool use experiments.
Yuhong Deng, Yuyao Liu, David Hsu
Jun 26, 2026cs.LG

Towards Automating Scientific Review with Google's Paper Assistant Tool

Artificial intelligence is driving a revolution in scientific discovery, accelerating everything from hypothesis generation to mathematical theorem proving. However, this rapid acceleration is creating a systemic challenge: traditional human peer review cannot scale to match the influx of AI-assisted science. Ultimately, to resolve this tension, we must also deploy AI to accelerate the verification and review process itself. To frame the discussion around this transition, we propose a taxonomy consisting of four progressive levels of AI-human collaboration in scientific evaluation, and discuss various trade-offs involved with each. As a step toward this future, we introduce the Paper Assistant Tool (PAT), an agentic AI framework built for deep scientific review and verification. PAT ingests full scientific manuscripts and produces a comprehensive evaluation, checking theoretical results, validating experiments, suggesting improvements, and identifying potential flaws. By utilizing inference scaling techniques, PAT is able to identify deeper issues than a single model call alone, achieving a 34% improvement over zero-shot recall on mathematical errors in the SPOT benchmark. Pilot deployments of PAT as a pre-submission tool for authors at two major Computer Science conferences -- STOC and ICML -- demonstrate its ability to identify critical errors and suggest substantive improvements to research papers. By catching errors early, PAT eases the cognitive burden placed on referees, while preserving their control over the outcomes of the review process.
Rajesh Jayaram, Drew Tyler, David Woodruff +4
Jun 25, 2026cs.CR

Tool Use Enables Undetectable Steganography in Multi-Agent LLM Systems

Increasingly autonomous agentic AI systems pose novel multi-agent risks, such as secret collusion via covert communication channels. The natural defence to these collusion attempts is to monitor plain-text communication, but the efficacy of monitors has been called into doubt by increasingly sophisticated model steganography; indeed, some theoretical schemes have been proposed that are information-theoretically or computationally indistinguishable from good-faith plain-text communication. In this paper, we demonstrate that the complexity of these schemes is no longer a safety barrier, as agentic coding models can already produce undetectable stegosystems when given realistic tool usage, such as code execution or accessing research papers through web searches. Agents also adapt when key ingredients are missing, for example, by adding model-sampling components or implementing related keyed coding schemes. We then frame tacit steganographic coordination between agents as a Schelling-point problem and introduce coordination metrics for estimating when two agents are likely to select compatible schemes without explicit prior agreement. Our results suggest a shift in the threat model for covert communication between AI agents, where the main barrier is no longer whether frontier agents can understand and implement sophisticated stegosystems, but coordination: whether independently acting agents can converge on compatible schemes, keys, and parameters. We find substantial convergence on broad scheme families but limited strict one-shot coordination, suggesting that shared artefacts, repeated interaction, and tool-mediated search are the settings where covert communication risks are most acute. Overall, our findings provide empirical grounding for the recent strategic confinement hypothesis, which assumes that capable agents can construct covert channels that survive monitoring.
Jimmy Laurence Rippin, Simon C. Marshall, David Demitri Africa +1
Jun 25, 2026cs.CV

Confidence-Aware Tool Orchestration for Robust Video Understanding

Video reasoning language models implicitly assume that every input frame is equally reliable. This leads to what we term the Blind Trust Problem: under realistic perturbations such as motion blur, glare, or occlusion, frontier video reasoning models can suffer 15-30%p accuracy drops on real-world embodied benchmarks, while remaining unaware that their visual evidence has been degraded. To address this challenge, we propose Robust-TO, an agentic video understanding framework that explicitly integrates per-frame trustworthiness into every stage of reasoning. Robust-TO organizes heterogeneous visual perception tools under a unified evidence interface. Each tool receives a sub-query derived from the original question and a set of trustworthy frames selected by the reliability-relevance score. It returns evidence in a shared format: a concrete prediction (e.g., a bounding box, motion trajectory, recognized text, or action label), temporal grounding, and a calibrated reliability score. During reasoning, these calibrated scores guide evidence weighting in a three-tier synthesis process (high/medium/low) and define a confidence-cost GRPO reward that jointly optimizes correctness, evidence reliability, and efficiency. On two video reasoning benchmarks spanning eight tasks, Robust-TO achieves 56.4% average accuracy on clean inputs, surpassing the strongest open-source baseline by 10.6%p and outperforming Gemini-2.5-Pro (46.2%). Under five realistic corruption types, Robust-TO maintains 54.3% average accuracy, 5.8%p above the strongest open-source baseline, while exhibiting the smallest clean-to-corrupted accuracy drop among all compared methods.
Yangfan He, Yujin Choi, Jaehong Yoon
Jun 25, 2026cs.LG

Localizing RL-Induced Tool Use to a Single Crosscoder Feature

Fine-tuning through RL reshapes the internal representations of language models to enable agentic behaviors such as tool use, yet the mechanistic basis of these changes remains poorly understood. While RL substantially improves structured tool-call generation, it is unclear which features emerge, which are preserved, and whether identified features can be leveraged for retraining-free behavioral control. In this work, we show that Dedicated Feature Crosscoders (DFC)\textit{Dedicated Feature Crosscoders (DFC)} isolate a compact set of RL-specific features that mediate tool-calling capability in Qwen2.5-3B\texttt{Qwen2.5-3B}. Across a 4848-crosscoder hyperparameter sweep, encode-decode reconstruction improves the RL model's tool correctness by +31.1±9.7+31.1 \pm {9.7} pp and passively transfers tool-calling ability to the frozen base model by +6.8±5.0+6.8 \pm 5.0 pp which we call a capability spillover\textit{capability spillover}. Our findings show that DFC partitioning concentrates RL-introduced capability into a minimal, steerable feature set that enables runtime behavioral control of agentic LLMs.
Andrii Shportko, Shubham Bhokare, Ahmed Zeyad A Alzahrani +3
Jun 24, 2026cs.CL

Why Multi-Step Tool-Use Reinforcement Learning Collapses and How Supervisory Signals Fix It

Tool use enables large language models (LLMs) to perform complex tasks, and recent agentic reinforcement learning (RL) methods show promise for enhancing model capabilities. However, RL alone often leads to instability or limited gains in tool-use tasks. In our experiments, some models exhibit catastrophic collapse, where performance abruptly drops and tool-invocation structures fail. The analysis reveals that these failures stem from unexpected probability spikes in specific control tokens, disrupting structured execution, yet the underlying tool-use capability remains intact, merely obscured by specific formats. To address this, we systematically investigate a diverse set of supervisory signals, including off-policy supervision, hint-based guidance, erroneous example supervision, and others, applied under both synchronous and interleaved training schemes. We find that interleaving supervised fine-tuning (SFT) with RL substantially improves stability, but exhibits degraded performance under format and content out-of-distribution (OOD) evaluation. We also analyze the impact of learning rates and generalization across settings. These results highlight the importance of understanding RL failures and demonstrate how diverse supervisory signals can guide exploratory learning, enabling robust training of LLMs for complex, multi-step tool-use tasks. Our Code is available at https://github.com/hypasd-art/Tool-RL-Box.
Yupu Hao, Zhuoran Jin, Huanxuan Liao +2
Jun 24, 2026cs.CL

Beyond Function Calling: Benchmarking Tool-Using Agents under Tool-Environment Unreliability

Large language models are increasingly deployed as agents that solve tasks by interacting with external tool environments. Although recent tool-use benchmarks increasingly cover complex task settings, they still largely assume clean, stable, and trustworthy tool environments, leaving tool-environment unreliability insufficiently examined. We introduce ToolBench-X, a benchmark for evaluating agents under recoverable reliability hazards. ToolBench-X contains executable multi-step tasks across diverse domains and sequential, parallel, and mixed workflows, each paired with deterministic tools and a canonical final answer for automatic evaluation. Starting from clean tool environments, ToolBench-X injects five structured hazard types: Specification Drift, Invocation Error, Execution Failure, Output Drift, and Cross-source Conflict. Crucially, each injected instance remains solvable through at least one valid recovery path, such as retrying, fallback, verification, or cross-checking. Experiments reveal a substantial reliability gap: agents that perform well with reliable tools often fail under recoverable hazards. Further analysis shows that failures are driven less by tool-use volume or inference budget than by limited hazard diagnosis and ineffective recovery. Targeted recovery hints recover many failed tasks, while test-time scaling yields more limited gains. These results suggest that tool-use evaluation should move beyond function-call accuracy toward task completion under unreliable tool environments. The code and data is available at https://github.com/Foreverskyou/ToolBench-X.
Yang Tian, Zhengpeng Shi, Yu Zhou +1
Jun 24, 2026cs.LG

The Interplay of Harness Design and Post-Training in LLM Agents

Tool-integrated LLM agents are often wrapped within a harness: the scaffolding that determines which tools are exposed, how they are described, and what auxiliary information accompanies each per-step observation. While agents are routinely post-trained, this scaffolding is typically treated as a fixed engineering detail, with design effort limited to the training-free regime. Moreover, existing post-training algorithms assume a static environment, even though tool environments and tasks often shift upon deployment. To address this gap, we extend ALFWorld\texttt{ALFWorld} (i) to treat the harness as a controllable design dimension and (ii) to support evaluation under task and tool environment shifts. Building on this, we systematically analyze how the harness design influences post-training in both in-distribution and out-of-distribution (OOD) settings. We empirically show that harness-aware post-training not only improves in-distribution performance but also enables agents to robustly adapt to OOD settings. Under a harness with minimal design effort, post-training suffers a drastic performance drop under stronger tool environment shifts, further highlighting the importance of harness-aware post-training under such shifts.
Kyungmin Kim, Youngbin Choi, Seoyeon Lee +3
Jun 23, 2026cs.AI

LemonHarness Technical Report

As large language model (LLM) agents are applied to longer tasks, they increasingly modify workspace state across multiple rounds of iteration. However, agents typically observe only tool outputs and log fragments, while the actual state changes occur in the file system. Without explicit workspace boundaries, state-changing operations such as file writes and temporary artifact generation may scatter changes across paths. Over time, these weakly constrained changes accumulate, making states such as modified files difficult to track. This paper presents LemonHarness, an integrated execution framework for long-horizon agents. LemonHarness establishes an explicit execution boundary by constraining state-changing operations within a clearly defined workspace and bringing model invocation, tool execution, and rule knowledge within a single controlled boundary. State-changing operations, including file writes, dependency installation, and temporary artifact creation, are executed through structured tool interfaces, with execution feedback recorded as observations available to subsequent model decisions. The system also introduces a reusable rule knowledge base, which turns recurring execution rules and acceptance criteria into runtime knowledge. LemonHarness further adds a time-aware execution mechanism that exposes elapsed and remaining budget to the model, so it can rebalance exploration, implementation, and validation effort as time pressure shifts and avoid timeouts from long waits or excessive verification. On Terminal-Bench 2.0, LemonHarness_GPT-5.3-CodeX reached 84.49% accuracy over 445 trials; pairing the same framework with the stronger GPT-5.5 backbone raised the average accuracy to 86.52% across five jobs. The results suggest that a unified runtime boundary, callable rule knowledge, and time-aware execution can improve the stability of long-horizon agent execution.
Kailong Ren, Fubo Sun, Jiachen Liu +18
Jun 22, 2026cs.AI

Intent-Governed Tool Authorization for AI Agents

AI agents increasingly act through external tools: they read private data, construct structured payloads, submit write requests, export records, and coordinate workflows across application boundaries. Existing authorization mechanisms usually ask whether an integration credential, app, or token can call a tool. That question is necessary but incomplete. A tool call can be authorized by static credentials and still be unjustified by the user's current request. For example, a credential that can read and export records should not expose export authority when the user only asked for a bounded summary, and a model-generated delete call should not execute merely because the integration has a delete scope. This paper proposes Intent-Governed Access Control (IGAC), a server-side authorization layer that treats the user's expressed intent as a monotone, auditable policy attribute for AI-agent tool use. IGAC introduces intent certificates, session-scoped policy narrowing, intent-aware manifest filtering, and intent-tool-payload consistency checks. The central invariant is that user intent may only reduce the authority granted by static integration policy; it never expands scopes, data policy, tenant boundaries, or review requirements. We map IGAC onto OpenPort, an existing governance substrate that already implements authorization-dependent discovery, scope and ABAC-style policy checks, draft-first writes, preflight impact binding, state-witness checks, idempotency, stable reason codes, and audit.
Genliang Zhu, Chu Wang
Jun 19, 2026cs.AI

Don't Blindly Trust It: How Unreliable Feedback Breaks Tool-Using LLM Agents

Tool-augmented agents are typically evaluated by their gains under reliable external feedback. Yet these gains leave open a key counterfactual: when feedback is unreliable, would the agent be better off receiving no task evidence? We study this question with a controlled matched-loop comparison that fixes the agent loop, prompt, action space, and decoding, while varying only the returned observation: faithful, misleading, or absent. Across question answering and fact verification, persistent misleading feedback produces a value inversion: agents that benefit from clean tools can perform worse than the matched no-feedback fallback. On HotpotQA, Qwen2.5-7B reaches 44.8 F1 with clean retrieval and 22.3 F1 with no feedback, but drops to 4.7 F1 under shuffled retrieval. The inversion persists under stronger clean retrieval and locally plausible distractors, but weakens when later clean evidence can repair the trajectory. Early trajectory signals predict many failures, yet simple repairs remain fallback-limited: rejecting bad evidence helps only when the exposed fallback is reliable. These results show that clean-tool gains can overstate tool value, and that matched no-feedback fallback controls are necessary for evaluating tool-augmented agents.
Chubin Zhang, Zhenglin Wan, Xingrui Yu +5
Jun 18, 2026cs.SE

When Lower Privileges Suffice: Investigating Over-Privileged Tool Selection in LLM Agents

As LLM agents increasingly select tools autonomously, their choices among tools with different privileges become safety-relevant. However, prior tool-selection studies focus on safety-agnostic metadata preferences, leaving privilege-sensitive choices underexplored. To address this gap, we study over-privileged tool selection, in which an agent selects or escalates to a higher-privilege tool despite a sufficient lower-privilege alternative. We introduce ToolPrivBench to evaluate whether agents choose higher-privilege tools despite sufficient lower-privilege alternatives, measuring both initial selection and escalation after transient tool failures. Across eight domains and five recurring risk patterns, we find that over-privileged tool selection is common among mainstream LLM agents and is further amplified by transient failures. We further find that general safety alignment does not reliably transfer to least-privilege tool choice, while prompt-level controls provide only limited mitigation under transient failures. We therefore introduce a privilege-aware post-training defense that teaches agents to prefer sufficient lower-privilege tools and escalate only when necessary. Our mitigation experiments show that this defense substantially reduces unnecessary high-privilege tool use while preserving general capabilities.
Kaiyue Yang, Yuyan Bu, Jingwei Yi +5
Jun 18, 2026cs.SE

Beyond Static Endpoints: Tool Programs as an Interface for Flexible Agentic Web Services

In the agentic web era, LLM-based agents increasingly invoke web services as tools, yet most interfaces remain \emph{static endpoints} that poorly express long-horizon workflows with loops, conditionals, joins, and retries. We present ToolPro, which represents an agent's tool intent as an \emph{executable tool program} that compactly encodes multi-step service interactions with explicit effect types. ToolPro combines constraint-guided program construction, effect-aware replay for exactly-once state-modifying calls, and a profile-driven policy that decides when program execution outperforms stepwise calling. We instantiate ToolPro over MCP-style services with WebAssembly sandboxing and evaluate it on diverse workflows of real-world applications. ToolPro reduces end-to-end latency by up to 53.4% and client-side traffic by up to 96.1%, with larger gains under higher network latency and workflow complexity.
Mugeng Liu, Shuoqi Li, Yixuan Zhang +1
Jun 18, 2026cs.SE

Agentic Electronic Design Automation: A Handoff Perspective

Electronic design automation (EDA) is inherently multi-stage and handoff-heavy. Design artifacts, flow scripts, and engineering decisions cross tool, session, and organizational boundaries before final implementation, signoff, or release. Each transfer carries explicit and implicit requirements that may not be fully captured by stage-local checks. LLM-based agents now invoke EDA tools directly, embed retrieved knowledge in executable scripts, and hand off state across sessions and stages. Once their outputs condition downstream engineering decisions, the transferred object must satisfy a handoff contract and meet the assumptions of its next consumer. This survey introduces handoff validity as its organizing principle. A handoff is valid when the transferred object satisfies the consumer's acceptance conditions and carries sufficient context, evidence, and provenance for downstream use. We review 82 systems and classify them into three boundary classes. Stage-Bound systems establish validity within a single EDA stage or bounded verification task. Flow-Bound systems preserve coherent workflow state across tools, invocations, and sessions. Organization-Bound systems maintain source grounding, provenance, scope, and admissibility across knowledge and authority boundaries. For each class, we analyze handoff contracts, handoff objects, coordination mechanisms, and open questions. These analyses motivate a five-layer EDA agent communication protocol (EACP), covering the agent discovery, agent message, tool invocation, workflow orchestration, and security and IP protocols. We aim to provide a common vocabulary and research agenda for trustworthy agentic EDA.
Jiawei Liu, Peiyi Han, Yuntao Lu +3
Jun 17, 2026cs.AR

A Tool for the Synthesis of Adaptive Probabilistic Processors Based on the Ising Model

This work presents a tool for the synthesis and simulation of probabilistic architectures for solving combinatorial optimization problems by mapping them to the Ising model. The proposed approach automatically constructs the Ising Hamiltonian and determines the number of probabilistic elements (p-bits) based on problem characteristics such as size and topology. Furthermore, the tool introduces an adaptive strategy for selecting the most suitable update algorithm among Gibbs Sampling, Simulated Annealing (SA), Simulated Quantum Annealing (SQA), and cluster-based methods. Experimental results using benchmark problems demonstrate improved convergence behavior and flexibility compared to fixed approaches. The proposed framework enables systematic evaluation of probabilistic computing strategies and supports the development of future hardware implementations based on MTJs and p-bits.
Jonathan Juracy Carneiro da Silva, Leonardo R. Gobatto, Jose Rodrigo Azambuja
Jun 16, 2026cs.CR

SafeClawBench: Separating Semantic, Audit-Evidence, and Sandbox Harm in Tool-Using LLM Agents

Tool-using language-model agents introduce security failures that go beyond unsafe text: they can disclose protected objects, write persistent memory, send messages, modify databases, or trigger harmful code and tool effects. Existing evaluations often collapse these stages into a single attack success rate, making it difficult to tell whether a model merely agreed with an attacker or actually produced observable harm. We introduce SafeClawBench, a staged benchmark for tool-using agent security with 600 controlled adversarial tasks across six attack families: direct and indirect prompt injection, tool-return injection, memory poisoning, memory extraction, and ambiguity-driven unsafe inference. SafeClawBench reports three separate endpoints: semantic attack acceptance, audit-visible harm evidence, and sandbox-observed tool/state harm. Evaluating five agent endpoints under four prompt-level policies, we find that these endpoints capture different failure modes. Without additional prompt protection, semantic failure rates vary widely across models, from 9.0% to 44.2%. Audited harm evidence is narrower than semantic failure, and under a separate executable protocol some matched task identities produce sandbox harm despite passing the Semantic Core call: in a 12,000-row matched analysis, 291 of 347 observed sandbox harms occur in rows that pass the semantic check. Prompt policies change endpoint outcomes, but their effects depend on both model and protocol. SafeClawBench provides a reproducible framework for comparing agent models and prompt-policy conditions without conflating textual compliance, evidence-supported harm, and executable state changes. The open-source dataset is available at https://huggingface.co/datasets/sairights/safeclawbench.
Yuchuan Tian, Mengyu Zheng, Haocheng Mei +5
Jun 15, 2026cs.AI

TNODEV: Toolbox for Neural ODE Verification

Neural ordinary differential equations (neural ODE) gained attention in safety critical settings such as continuous-time controllers for cyber-physical systems and classifiers integrated into automated decision pipelines, raising the question whether their behavior can be formally verified. Existing tools dedicated to neural ODE provide only a single reachability call without iterative input-set refinement, limiting the precision of their verdicts to whatever one reachability call can deliver. We present TNODEV, the first formal verifier for neural ODE that integrates a falsification checker, a fast interval-based reachability backend based on continuous-time mixed monotonicity, a verification and refinement loop with three input-set splitting heuristics, and a parallel scheduler in a single end-to-end pipeline. TNODEV supports safe-set inclusion verification on pure neural ODE, neural ODE in closed loop with a neural network controller and general neural ODE (GNODE), with the safe set specified either as an interval or as the half-space intersection induced by a target classification label. We evaluate TNODEV on a range of benchmarks across safe-set inclusion and classification-robustness properties, including a direct reachability comparison against NNV 2.0 and CORA and a verification comparison against NNV 2.0 on MNIST general neural ODE classifiers.
Abdelrahman Sayed Sayed, Pierre-Jean Meyer, Mohamed Ghazel
Jun 15, 2026cs.CV

Tool-IQA: Augmenting Image Quality Assessment with Simple Tools

Vision-Language Models (VLMs) have been increasingly adopted for Image Quality Assessment (IQA). However, current methods typically employ a static one-shot scoring paradigm, despite the fact that humans assess image quality through dynamic visual inspection, e.g., selectively adjusting views to verify details and subtle artifacts. Specifically, relying solely on a single-pass observation introduces two primary limitations: first, perceiving the image only at a global scale restricts the assessment of finer local details; second, the original intensity distribution of the image may overwhelm the visibility, leading to insufficient inspection of image quality. To address these issues, we propose Tool-IQA, shifting the assessment mechanism from passive scoring to a tool-augmented workflow. In particular, we equip VLMs with simple yet effective view tools: a Magnifier to inspect local details, and a Gamma Corrector to uncover visibility and hidden artifacts. The assessment follows a structured pipeline that consists of an initial observation with rubric notes, a tool-augmented in-depth inspection, and a final quantification for calibrated quality score. Furthermore, to ensure efficient and purposeful tool callings, we introduce a batch-aware training strategy to reward tool interactions that can yield positive contributions rather than simply encouraging usage. Experiments on a variety of IQA benchmarks demonstrate that, with effective tool calling and calibrated assessment, our proposed Tool-IQA significantly outperforms existing state-of-the-art models, e.g., it achieves a PLCC of 0.854 on the challenging CLIVE dataset.
Guanyi Qin, Junjie Zhang, Chunming He +4
Jun 14, 2026cs.LG

Mojo: A Promising Tool for Scalable Financial AI Efficiency

For thirty years, quantitative finance has paid a costly two-language tax: models researched in Python are rewritten in C++ for production, often introducing numerical discrepancies. GPU-accelerated deep learning exacerbates this problem, as nondeterministic floating-point reductions can produce drift in long backtests, challenging regulatory reproducibility and auditability expectations. This article surveys Mojo, Modular's 2026 Python-like systems language, as a structural response for capital markets engineering. While closing the Python-to-C++ performance gap, Mojo uniquely combines native interoperability with the low-level systems control required to construct bit-exact deterministic kernels. Its MLIR compilation infrastructure further allows a single codebase to target scalar, SIMD, multicore, and GPU execution, reducing the translation bottleneck between research and production. We benchmark four core financial AI workloads: Monte Carlo option pricing, LLM sentiment inference, multi-asset backtesting, and portfolio Value at Risk. On Apple Silicon, Mojo demonstrates 20x to 180x speedups over pure Python on directly measured kernels; larger-scale GPU workload results are projections calibrated from published benchmarks. Alongside transparent performance data, we introduce mojo-deterministic, an open-source library of reproducible reduction kernels, and provide a candid assessment of the problems Mojo does and does not yet solve.
Henry Han
Jun 13, 2026cs.AI

ToolMenuBench: Benchmarking Tool-Menu Filtering Strategies for Reliable and Efficient LLM Agents

Tool-augmented large language model agents increasingly operate over large tool libraries, but existing evaluations often focus on whether a model can call a tool correctly rather than how the visible tool menu shapes reliability, efficiency, and safety-relevant risk exposure. We introduce ToolMenuBench, a benchmark for evaluating tool-menu construction in multi-step LLM agents. ToolMenuBench varies tool-menu size, distractor type, state-dependent task structure, and risk exposure, and reports both filter-level and downstream agent metrics, including visible-tool count, risky-tool exposure, task success, wrong-tool calls, premature actions, and token usage. In a controlled evaluation across seven model backends, three tool-menu sizes, six filtering methods, and seven evaluation settings, CMTF improves task success from 32.1% under all-tools exposure to 85.7%, while reducing average token usage by roughly 98%. Causal minimal tool filtering achieves the strongest overall tradeoff, reducing visible tools, wrong-tool calls, premature actions, and risky-tool exposure relative to unfiltered exposure, lexical filtering, state-aware filtering, and broader causal-path baselines. ToolMenuBench provides a reusable evaluation framework for studying the agent-interface problem: which tools should be visible, when they should be visible, and under what cost or risk constraints.
Rahul Suresh Babu, Laxmipriya Ganesh Iyer
Jun 13, 2026cs.AI

Towards Verifiable Agentic Data Science: Solving Irregular TSQA Via Tool-Grounded Reasoning

Time series data in real-world deployments is overwhelmingly irregular. Observations are asynchronous, missing values are informative rather than random, and sampling frequencies vary across sensors and operational windows. However, existing Time Series Question Answering (TSQA) benchmarks mostly assume regularly sampled inputs, leaving a fundamental gap in understanding how large language models (LLMs) and AI agents perform under irregular conditions. To bridge this gap, we introduce IRTS-ToolBench, a benchmark of 1,700 questions spanning 10 task types across 13 domains. IRTS-ToolBench is designed to be used independently by any researcher working on LLM-based irregular time series analysis, providing standardized inputs and a reproducible evaluation protocol. Code can be found in https://github.com/SanhornC/IRTS-ToolBench.
Sanhorn Chen, Xiaoyang Chen, Boyu Liu +1
Jun 12, 2026cs.AI

When the Tool Decides: LLM Agents Defer Blindly to Graph Neural Network Tools, and Stronger Backbones Defer More

A growing line of work equips large language model (LLM) agents with graph neural networks (GNNs) as callable tools, assuming the agent exercises judgment over when and how much to rely on such a tool. We test this directly. We expose a frozen GNN to a ReAct-style LLM agent as an explicit tool and measure, on node classification over a text-attributed graph (ogbn-arxiv, replicated on WikiCS), whether the agent uses the tool or merely obeys it. We find the agent does not exercise judgment: its predictions agree with the raw GNN's 97.6-99.2% of the time (5 seeds), collapsing into a GNN parrot that adopts the tool's output wholesale and bypasses its own reasoning. Sweeping backbone capability (Qwen2.5 0.5B-7B), the deference is not a weak-model artifact: among models able to invoke the tool, agreement rises with capability (0.60 to 0.98 from 1.5B to 7B). Crucially, the cost of deference does not shrink as capability grows and grows where alternatives emerge: a per-node oracle over the available actions beats the parrot by 0.09-0.18 at 3B and 0.12-0.22 at 7B, roughly doubling at high homophily, because the parrot is pinned to the frozen GNN while the agent's alternatives improve; at 7B a simple neighbour-label tool overtakes the GNN at high homophily (0.81 vs 0.71) yet the agent still defers. A simple selective-invocation gate recovers about half of that high-homophily gap (0.71 to 0.83) but yields no net global gain, and held-out estimates bound the best achievable gate over standard test-time features to at most a third of the oracle headroom: reliable selective invocation looks limited by available information, not merely router design. Our results are a cautionary measurement: evaluations of agent+tool systems cannot assume the agent adds judgment on top of the tool, and selective invocation must be designed in rather than expected to emerge from scale.
Zhongyuan Wang, Pratyusha Vemuri
Jun 11, 2026cs.RO

Mana: Dexterous Manipulation of Articulated Tools

Articulated tool manipulation remains a major challenge in dexterous robotics due to the need to coordinate internal degrees of freedom and contact-rich interactions. While prior work has largely focused on rigid objects, articulated tool use remains underexplored because of its physical complexity and the difficulty of learning functional grasping and manipulation policies. We present Mana (Manipulation Animator), a general sim-to-real framework that reinterprets dexterous manipulation as an animation problem. Inspired by computer animation, Mana employs a coarse-to-fine pipeline that transforms procedurally-generated grasp keyframes into manipulation trajectories through motion planning and reinforcement learning. The data generation process is largely automatic, requiring only a few mouse clicks to specify functional affordances (<1 minute per tool). Across four articulated tools spanning different scales and joint types, Mana achieves zero-shot sim-to-real transfer for both grasping and in-hand manipulation, demonstrating a scalable approach to dexterous articulated tool use.
Zhao-Heng Yin, Guanya Shi, Pieter Abbeel +1
Jun 11, 2026cs.CL

HyperTool: Beyond Step-Wise Tool Calls for Tool-Augmented Agents

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 \emph{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 \textbf{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.
Yaxin Du, Yifan Zhou, Yujie Ge +7
Jun 10, 2026cs.CV

MedCTA: A Benchmark for Clinical Tool Agents

To make clinically grounded decisions, medical AI agents are expected to go beyond simple recognition and be capable of tool retrieval, evidence acquisition, and integration. Existing benchmarks largely evaluate isolated perception or single-turn question answering, and therefore provide limited visibility into failures of planning, tool recruitment, and rollout reliability. We introduce MedCTA, a benchmark for evaluating medical tool agents on clinician-validated, step-implicit tasks grounded in realistic multimodal clinical inputs, including radiology images, pathology slides, and reports. MedCTA comprises 107 real-world clinical tasks with clinician-verified executable trajectories over 5 deployed tools, and supports process-aware evaluation of tool selection, argument validity, execution stability, trajectory fidelity, and outcome quality. We benchmark 18 open- and closed-source multimodal models and find that even frontier systems remain brittle in multi-step clinical tool use: autonomous rollouts are dominated by protocol failures, premature stopping, and incorrect tool recruitment, while gold-standard tool routing yields large but still incomplete gains. These results show that strong backbone perception does not translate into reliable agentic behavior in clinical settings. MedCTA provides a rigorous testbed for auditing, diagnosing, and advancing trustworthy medical AI agents. The dataset and evaluation suite are available at https://ivul-kaust.github.io/MedCTA/
Tajamul Ashraf, Hyewon Jeong, Fida Mohammad Thoker +1
Jun 10, 2026cs.CR

Can Open-Source LLM Agents Replace Static Application Security Testing Tools? An Empirical Assessment

This paper explores the value of agentic AI tools for cybersecurity purposes. We evaluate the efficacy of a general-purpose GenAI Large Language Model- (GenAI-) based agent when powered by three different Ollama-hosted general-purpose open source models. We assess each agent's performance using precision, recall, false positive count, and a calculated composite score based upon the interplay of the captured metrics, against the baseline performance of an existing, vetted Static Application Security Testing (SAST) tool, Bandit. Our findings refute the notion that a modern open-source GenAI LLM-based agent is currently suitable for the specialized task of SAST scanning under realistic conditions.
Derek Yohn, Luke Flancher, Mirajul Islam +1
Jun 7, 2026cs.SE

Structuring agentic AI for HPC code modernization

Modernization of legacy scientific codes is often necessary to keep up with the ever-evolving changes in the compute resource ecosystem. Parallelization and migration from poorly supported software ecosystems are two of the most time-consuming activities in the research software engineering field. This paper presents our experience in the successful, two-phase AI-assisted modernization of NMAP-RKPM, a roughly 60,000-line, 3D explicit solid mechanics physics engine based on the Reproducing Kernel Particle Method (RKPM). We converted this single-threaded, Fortran based MPI application into a OpenMP-parallel C++ based MPI tool in the span of a few months. While Large Language Model (LLM) based tools on their own proved inadequate, we developed a highly structured "hand-holding" agentic AI methodology, like providing manually created examples, ensuring continuous buildability and limiting session scope, that was instead highly effective. The paper provides both the AI-assisted steps that were successful and the problems that we had to overcome, alongside the reasoning behind the chosen path.
Anthony Marinov, Igor Sfiligoi
Jun 6, 2026cs.AI

MemToolAgent: Leveraging Memory for Tool Using Agents Based on Environment and User Feedback

Modern large language model (LLM) agents can use external tools to help users solve complex tasks. However, for problems that require learning from long-term historical events or from previous agent-environment interactions, LLM agents are required to use memory mechanisms to store and retrieve experiences. While sophisticated memory systems exist for dialogue agents, few studies have empirically examined how to improve agents' tool-using capabilities through past user-agent conversations. We propose MemToolAgent, a framework that improves tool use through memory management. Our approach contains a memory extraction module that processes past experiences into structured memory entries, and a retrieval module that dynamically selects a subset of the stored memory entries. This enables more personalized and accurate responses aligned with user preferences and feedback without requiring LLM fine-tuning. In summary, this work has three main contributions: (1) a unified memory entry format that improves both general-purpose and personalized tool use without LLM fine-tuning, (2) a reflection-based memory extraction that uses environment and user feedback to distill wrong executions into critiques to store, and (3) a retrieval module that chooses how many past experiences to use based on the memory similarity distribution. MemToolAgent achieves 29%, 80%, and 17% relative improvements compared to strong baselines on the WorkBench, NESTFUL, and PEToolBench benchmarks, respectively.
Suleyman Armagan Er, Danilo Ribeiro, Yogesh Virkar +5
Jun 5, 2026cs.CL

Translate-R1: Cost-Aware Translation Tool Use via Reinforcement Learning

The performance gap across languages in LLMs is well documented, and closing it natively requires pretraining or fine-tuning on corpora that, for most languages, do not exist. Translation offers an alternative: converting an input into the model's dominant language unlocks its full capabilities at once. Applying translation to every input, however, is wasteful for languages the model already handles, while leaving the choice to the model fails in the opposite way, as LLMs are overconfident and skip the tool even when they cannot understand the input. Prior work resolves this with language-specific rules, domain heuristics, language identifiers, or external routers, each requiring manual engineering. We instead learn a single policy that decides when to translate from reward alone, developing language- and domain-adaptive introspection that assesses its own comprehension and invokes translation only when it cannot solve a task natively. Using data built by our answer-preserving translation pipeline, we continue RL on the post-trained Qwen3-4B across 22 languages in 3 resource tiers (High, Low, XLow) and 5 domains, and introduce confidence-gated GSPO for cost-sensitive tool use. The gated policy lifts reward over the baseline by +4.6 on High, +23.5 on Low, and +17.5 on XLow. Against an unconstrained policy that almost always translates, it preserves full reward at 63% of the cost and is Pareto-optimal across 87% of the cost-sensitivity range. Additionally, to simulate behavior on a completely unseen language, we create 2 synthetic languages, where our gated policy improves +18.7 over the overconfident baseline that underutilizes the tool even on these incomprehensible inputs. The policy transfers zero-shot to 9 held-out languages, and we analyze how tool use emerges over training, per language and per domain.
Pratik Jayarao, Chaitanya Dwivedi, Himanshu Gupta +5
Jun 4, 2026cs.SE

NTILC: Neural Tool Invocation via Learned Compression

Agentic tool-calling language models depend on large registries of callable APIs, functions, and local actions. Placing full tool specifications directly in the prompt incurs a cost that scales linearly with the size of the tool registry, rapidly consuming the context budget. As the registry grows, this leads to higher latency and degrades selection accuracy, particularly due to interference from irrelevant tools. We overcome these limitations by introducing NTILC, a neural tool selection and invocation framework that replaces in-context registry look-up with learned latent retrieval. NTILC maps both user intent and tool specifications into a shared embedding space, enabling tool selection via external retrieval rather than in-context lookup. The language model is conditioned only on the selected tool schema, allowing for precise, constrained argument generation. Central to our approach is a signature-aware composite objective, which augments semantic similarity with constraints derived from tool signatures (e.g., argument schema, type compatibility, and return types). By combining Circle Loss with a Functional Margin Loss, the model enforces separation between tools that are semantically similar but incompatible under their execution signatures. We evaluate NTILC on public tool-selection and function-calling datasets and report context token usage, retrieval accuracy, and selection latency metrics. Across these settings, NTILC reduces context window consumption by over 95% and inference latency by up to 74% compared to long-context ICT baselines.
Andrew Krikorian, Yayuan Li, Jason J. Corso
Jun 4, 2026cs.AI

ToolChoiceConfusion: Causal Minimal Tool Filtering for Reliable LLM Agents

Large language model agents increasingly rely on external tools, but larger tool menus can reduce reliability and efficiency by increasing wrong-tool calls, premature actions, and token cost. Existing tool-selection methods often optimize semantic relevance, exposing tools whose names or descriptions match the user request. We argue that relevance is insufficient: a tool may be related to the task while still being unnecessary or premature at the current step. We propose Causal Minimal Tool Filtering (CMTF), a training-free method that selects tools by causal sufficiency. CMTF uses lightweight precondition-effect contracts to expose only the minimal next-step tool frontier needed to advance from the current state toward the user goal. Across multi-step tool-use tasks, we compare CMTF with all-tools exposure, keyword retrieval, state-aware filtering, and causal-path ablations, measuring task success, wrong-tool calls, premature actions, tool exposure, and token cost. In the main benchmark with 102 tasks, 100 tools, four LLM backends, and 2448 task-method-model runs, CMTF matches the strongest causal baseline in aggregate success while reducing visible tools from 100 to one per step and reducing token usage by about 90% relative to all-tools exposure.
Rahul Suresh Babu, Laxmipriya Ganesh Iyer
Jun 4, 2026cs.AI

DiG-Plan: Mitigating Early Commitment for Tool-Graph Planning via Diffusion Guidance

Generating executable tool plans requires selecting appropriate subsets from tool libraries, a combinatorial search problem with an exponentially large solution space. However, we identify a critical misalignment in predominant approaches: standard autoregressive (AR) decoding suffers from early commitment, where initial token choices rigidly constrain the search trajectory. A controlled study shows that masked denoising raises Pass@10 solution coverage from 0.320 to 0.943 over AR sampling under matched compute. Motivated by this, we propose DiG-Plan, a framework that decouples combinatorial exploration from structural refinement. DiG-Plan employs a diffusion-based proposer to generate diverse tool sets via iterative refinement, followed by an AR refiner for dependency prediction. On TaskBench, DiG-Plan improves over AR baselines by a 10% relative margin, with the largest gains on complex compositional tasks; API-Bank results show that the propose-refine-select design remains effective across domains. Code is available at https://github.com/puddingyeah/DiG-Plan.
Yansi Li, Zhuosheng Zhang
Jun 2, 2026cs.SE

The Impact of Configuring Agentic AI Coding Tools on Build-vs-Buy Decisions: A Study Protocol

Agentic AI coding tools write code with increasing autonomy and in doing so decide when to import a library and when to implement functionality from scratch. These decisions, whether to build functionality from scratch or buy into an external library, hereafter build-versus-buy, carry direct consequences for software security, licensing compliance, performance, and long-term maintainability. Yet no controlled experimental study has examined what governs build-versus-buy decisions in agentic AI coding tools. Configuration mechanisms, i.e., the means by which developers tailor agentic AI coding tool behavior to a project or workflow, are one of the primary means by which practitioners can influence these decisions. However, it is unclear which configuration mechanisms influence build-versus-buy decisions most effectively. We present a pre-registered protocol to study how configuration mechanisms alter build-versus-buy behavior in two popular agentic AI coding tools: Claude Code and OpenAI Codex. We will execute controlled programming tasks drawn from a benchmark of staged projects, each constructed around identifiable build-versus-buy points, and will manipulate the configuration supplied to each tool, ranging from no configuration, through context files with soft preferences and explicit prohibitions, to Skills (instructions that can be autonomously discovered), MCP-enabled library discovery tools, and permission controls, measuring which libraries the tool selects, whether it discloses newly introduced libraries, and whether those disclosures are complete and accurate. Nine pre-registered hypotheses structure the protocol. The resulting benchmark dataset and analysis pipeline will be released as a reusable artifact for evaluating build-versus-buy behavior in agentic AI coding tools.
Jai Lal Lulla, Matthias Galster, Jie M. Zhang +2
Jun 1, 2026cs.CR

Ghost Tool Calls: Issue-Time Privacy for Speculative Agent Tools

Tool-augmented language agents speculatively issue likely future tool calls to hide latency, but those calls leak inferred user intent to external services before the agent commits to the branch. Every external observer that received the call retains the disclosure after the agent abandons the branch. Timing is the issue, not authorization: no commit-time cleanup, read-only restriction, or access-control allow-list unsends what an observer already holds. We call these invocations ghost tool calls and propose Speculative Tool Privacy Contracts, a runtime abstraction that treats observation before commitment as a first-class effect, distinct from state mutation. We implement the contracts in a prototype runtime and evaluate twelve policies across three corpora. Speculative dispatch increases what an observer can infer about user intent; post-hoc filters, read-only restrictions, and access-control allow-lists leave that inference intact; only issue-time policies that change or suppress the speculative call's argument or destination projection before dispatch reduce it.
Bardia Mohammadi, Lars Klein, Akhil Arora +1
Jun 1, 2026cs.CV

Do Multimodal Agents Really Benefit from Tool Use? A Systematic Study of Capability Gains

Tool-augmented multimodal agents show strong benchmark gains, often taken as evidence that agents have learned to use tools. We argue that this interpretation can be premature: a tool-call trace alone does not show whether the tool supplied answer-critical information. We study two representative ``thinking with images'' agents, Thyme and DeepEyesV2, across real-world understanding, OCR, chart understanding, and mathematical reasoning. Each agent is compared with its Tool-Free counterpart and with a Pure-Text Reasoner trained from the same source pool without tool-calling trajectories. Tool access yields little consistent aggregate improvement, does not reliably reduce generated-token cost, and leaves only a small tool-only solved set: 93% of DeepEyesV2's tool-solved problems and 96% of Thyme's are also solved by at least one non-tool setting. Mechanism ablations further show that the full tool-use loop does not consistently outperform either the tool-call format or the returned execution result alone. In the settings we study, the analyzed agents appear to learn tool-calling patterns more reliably than tool-contributed capabilities, suggesting that evaluation should distinguish tool availability from whether tools actually expand what agents can solve.
Garvin Guo, Donglei Yu, Yu Chen +6
Jun 1, 2026cs.CL

AI as a Tool for Simulation-Based Experiments in Literary Studies

Generative artificial intelligence (AI) systems open new possibilities for experimentation in literary studies via controlled, grounded, large-scale, low-cost simulations of cultural production. Current systems have not yet been shown to produce high-quality, book-length narrative texts that reliably reflect arbitrarily specified cultural constraints or stylistic features. But there exists substantial relevant research on each of the components required for literary-historical simulation. These include the use and validation of AI systems as proxies for differentiable human populations; the narrative and stylistic properties of AI-generated texts; the stability and coherence of multiagent, multiturn AI simulations of human actors; and technical methods through which to alter in predictable ways the knowledge and behavior of generative systems. Together, these areas could provide a starting point for more ambitious AI-based modeling of cultural systems of literary production. We describe the possibilities and challenges of simulation-based experiments in literary studies, summarize the current state of the art in relevant fields, and explain key technical aspects of the work. To provide an example directly relevant to literary scholars, we present the results of experiments on literary text generation, including comparisons to high-status, human-authored novels. Our results include the first demonstration of (limited) in-distribution outputs by AI models in this domain. We conclude with a description of future work on full counterfactual literary-historical simulations using AI.
Matthew Wilkens
Jun 1, 2026cs.AI

Learning When Not to Act: Mitigating Tool Abuse in Agentic Reinforcement Learning

Agentic reinforcement learning can induce tool abuse, where models overuse external tools even for queries solvable by internal reasoning. Existing approaches mitigate this issue with uniform tool-use penalties or hard limits, which reduce tool frequency but may also suppress useful tool-assisted exploration. We propose EAPO, an Efficient Agentic Policy Optimization framework that learns selective tool use. EAPO introduces tool-free trajectories into each rollout group, applies difficulty-aware reward shaping to penalize redundant tool calls mainly on easier queries, and uses confidence-aware token reweighting to improve policy learning. Across nine mathematical and knowledge-intensive reasoning benchmarks, EAPO consistently improves the accuracy efficiency trade-off on Qwen2.5-3B, Qwen2.5-7B, and Llama3.1-8B. Compared with GRPO, EAPO improves average performance by 10.45%, 7.27%, and 9.69%, while reducing average tool calls by 18.33%, 18.33%, and 24.59%, respectively. These results show that agents can learn when not to use tools without compromising tool-integrated reasoning.
Liuji Chen, Dianxing Tang, Xing Shi +4
Jun 1, 2026cs.MA

MetaForge: A Self-Evolving Multimodal Agent that Retrieves, Adapts, and Forges Tools On Demand

Multimodal agents have achieved notable progress on complex reasoning tasks through tool use, yet remain limited by two issues: statically predefined tool inventories fail to generalize to unseen scenarios, and indiscriminate tool invocation incurs redundant cost and noise-induced errors. We propose MetaForge, a multimodal agent framework that learns when to invoke tools and how to evolve its toolset on demand. MetaForge factorizes agentic behavior into four coupled stages: Decide (judging whether tool use is warranted), Retrieve (selecting suitable tools), Adapt (grounding tool parameters in task context), and Forge (synthesizing new skills online and recycling them into the tool library for reuse), forming a closed judge-retrieve-adapt-forge-recycle loop. A unified orchestration policy enables the agent to choose among answering directly, reusing existing tools, or forging new ones. We jointly optimize invocation necessity, retrieval accuracy, execution effectiveness, and forged-skill reusability via reinforcement learning, with an explicit invocation-cost penalty discouraging redundant calls. Across 12 benchmarks, MetaForge consistently surpasses 16 baselines in accuracy, efficiency, and generalization, validating a paradigm shift from static tool inventories to on-demand self-evolution.
Shouang Wei, Houcheng Min, Xinpeng Dong +8
May 29, 2026cs.AI

MAVEN: Improving Generalization in Agentic Tool Calling

Generalization across agentic tool-calling environments remains a central challenge for reliable agentic reasoning systems. Although large language models achieve strong results on individual benchmarks, their ability to compose reasoning strategies, preserve intermediate states, and coordinate tools across domains remains underexplored. We present MAVEN (Modular Agentic Verification and Execution Network), a lightweight symbolic reasoning scaffold for structured decomposition, adaptive tool orchestration, and intermediate verification. We evaluate MAVEN across established tool-calling benchmarks, including BFCL v3, TauBench, Tau2Bench, AceBench, and introduce MAVEN-Bench, a stress-test benchmark for multi-step mathematical and physical reasoning with explicit verification and adversarial task composition. MAVEN-Bench exposes a substantial gap between partial reasoning quality and end-to-end task success; in direct MAVEN-Bench runs, MAVEN improves its GPT-OSS-120b base model from 48% to 71% accuracy without additional training. It also remains competitive with frontier proprietary baselines while using an open-weight backbone with an estimated cost ratio of roughly 1/10, suggesting that lightweight verification-centered scaffolds can strengthen compositional reasoning and motivate more process-aware evaluation of agents in the wild.
Omkar Ghugarkar, Vishvesh Bhat, Muhammad Ahmed Mohsin +1
May 28, 2026cs.CL

Evaluating using Mock Tool Calls to Quarantine Untrusted Prompt Inputs

Large language models must frequently process untrusted inputs, such as judging an answer from another model or running tasks like spam and harm classifiers while under adversarial pressure. These inputs are often string-formatted directly into a prompt template, leaving systems fragile to manipulation. Current LLM specs from major providers like OpenAI distinguish trustworthiness along an Instruction Hierarchy, from System messages (most trusted) to Tool Results (least trusted). A possible natural mitigation is to wrap untrusted content in a mock tool call as a quarantine. We explore this hypothesis with an automated redteaming search over static attack strings across seven models and three LLM-as-a-Judge tasks. Counter to our hypothesis, tool-wrapping does not broadly improve robustness. On a binary evaluation task (GSM8K grading) it typically increases attack success rates, an apparent inversion of the instruction hierarchy. On scalar and pairwise tasks the effect is smaller and model-dependent, with no tested model reliably helped, and several showing inversion. We recommend evaluating this limitation in deployed systems, and longer-term, pursuing stronger Instruction Hierarchy training or new untrusted-input primitives.
David Gros, Adam Gleave
May 28, 2026cs.AI

DeepTool: Scaling Interleaved Deliberation in Tool-Integrated Reasoning via Process-Supervised Reinforcement Learning

Tool-Integrated Reasoning (TIR) extends LLM capabilities by leveraging external environments. However, existing methods lack the deliberation during sequential tool invocation required for strategic planning and self-correction. While RL mitigates this, conventional approaches for Tool-Integrated Reasoning are hindered by sparse outcome-based rewards, failing to supervise intermediate reasoning steps and tool invocations. To address this, we propose DeepTool, a novel framework that scales deliberate thinking within the interleaved process of thinking, action, and observation at each turn. In DeepTool, we first introduce a synthesis pipeline that evolves extended thinking into interleaved trajectories, integrating adversarial perturbations to ensure robustness and self-correction. Secondly, we devise Process-Supervised Reinforcement Learning based on GRPO, which utilizes an Action-Centric Process Reward to reinforce intermediate interleaved thinking and enforce precise tool invocation at every turn. Extensive experiments demonstrate that DeepTool achieves superior performance, boosting Qwen2.5-7B significantly across six benchmarks (e.g., AIME24: 3.2% -> 40.4% and HMMT25: 0.0% -> 28.6%). Furthermore, the token cost-effectiveness analysis confirms the utility of interleaved thinking, demonstrating DeepTool's optimal balance between performance and token efficiency.
Yang He, Xiao Ding, Bibo Cai +5
May 28, 2026cs.AI

ParaTool: Shifting Tool Representations from Context to Parameters

Tool calling extends large language models (LLMs) by enabling grounded interaction with external executable interfaces, thereby supporting environment-coupled problem solving. However, mainstream in-context learning (ICL) approaches typically incorporate detailed tool documentation and usage examples directly into the context. This results in substantial inference overhead and heightened risks of hallucination as the context length grows. Conversely, while tuning-based methods improve general tool-calling capabilities, they often fail to effectively internalize the specific details of previously seen tools, thereby retaining a dependency on in-context documentation. To address these limitations, we propose ParaTool, a framework that projects each tool into a dedicated, loadable set of parameters. By equipping a dynamic integration of these parameterized tools, the LLM can perform tool calling without relying on in-context documents or examples. Specifically, our approach consists of three stages: (1) parametric tool pre-training encapsulates the knowledge of different tools into independent parameter modules; (2) soft tool selection employs a gating network to dynamically weigh and aggregate relevant tool parameters; and (3) parametric tool fine-tuning jointly updates tool parameters to align the training and inference processes. Experiments on Stable ToolBench and BFCL demonstrate that ParaTool significantly outperforms strong ICL-based baselines, achieving superior performance while reducing computational complexity.
Zekai Yu, Qi Meng, Qizhi Chu +3
May 27, 2026cs.CR

AIRGuard: Guarding Agent Actions with Runtime Authority Control

Tool-using language agents turn model decisions into external side effects: they read files, run scripts, call APIs, send messages, and invoke Model Context Protocol tools. This makes agent attacks different from jailbreaks. The harmful step is often not an obviously forbidden output, but an ordinary executable action that becomes unsafe because attacker-controlled context steers authorized access against the user's interest. We identify this failure mode as authority confusion: untrusted resources may inform reasoning, but they must not authorize side effects. We present AIRGuard, a runtime guard that operationalizes least privilege as action-time authorization. AIRGuard normalizes heterogeneous tool calls, derives task authority into step-level authority, tracks source and target trust, simulates sensitive side effects, audits cross-step risk, and enforces decisions before actions execute. On AgentTrap, AIRGuard reduces Sonnet 4.6 attack success from 36.3% without defense to 5.5%. On DTAP-150, AIRGuard preserves 76.0% benign utility with Haiku 4.5, compared with 52.0% for ARGUS and 42.0% for MELON. An ablation further shows that prompt-only policy helps only modestly, whereas a dedicated runtime authority-control layer gives the agent system direct control over tool-mediated side effects. Code and data are available at https://github.com/Sophie508/AIRGuard.
Suliu Qin, Haomin Zhuang, Yujun Zhou +2
May 27, 2026cs.RO

A Digital Twin Framework for Virtual Visuo-Haptic Teleoperation of Complex-Shaped Optical Microrobots

Optical tweezers (OT) provide piconewton-scale manipulation for delicate biomedical tasks, where visuo-haptic feedback can improve operator awareness by conveying interaction-force cues and trap-stability information. However, visuo-haptic teleoperation frameworks for complex-shaped optical microrobots remain underdeveloped, particularly in multi-trap manipulation scenarios. This paper presents a digital twin framework for virtual visuo-haptic teleoperation of complex-shaped OT-driven microrobots. The framework integrates a digital twin environment, image-based pose and depth estimation, microrobot motion simulation, and model-based haptic rendering within a Robot Operating System (ROS)-connected bimanual teleoperation system. For force modeling, we combine a Multi-Sphere Distributed Manipulation (MSDM) model with optical-force estimation from the Optical Tweezers Toolbox, enabling simulator-driven visuo-haptic feedback. The framework reproduces representative microrobot motion trends and provides haptic force rendering that is numerically consistent with the fitted optical-force model. In simulated cell-delivery tasks, haptic feedback reduced the standard deviations of the contact-force metric and the microrobot-to-trap-center distance metric by 53.2% and 55.2%, respectively, and improved task success from 30% to 80%. These results demonstrate the framework's effectiveness for evaluating visuo-haptic teleoperation strategies for complex-shaped optical microrobots.
Zongcai Tan, Lan Wei, Dandan Zhang
May 27, 2026cs.SE

Tool Forge: A Validation-Carrying Toolchain for Governed Agentic Execution

Large language model agents are increasingly expected to perform operational work: calling APIs, manipulating files, assembling workflows, and acting inside enterprise systems. Yet the tool layer on which this execution depends is still commonly treated as either a hand-written integration artifact or a static list of schemas exposed to a model. This paper introduces Tool Forge, a validation-carrying toolchain for converting natural-language capability intent into governed, sandbox-verified, cataloged tool artifacts and exposing those artifacts to agents through a token-efficient routing layer. Tool Forge treats a tool as a capsule containing intent, capability contract, implementation, dependency policy, tests, documentation, runtime validation evidence, lifecycle state, credential bindings, and routing metadata. It also introduces a Router that exposes intent-scoped tool sessions instead of loading full catalog schemas into the model context. We describe the system architecture, validation pipeline, MCP-facing routing model, governance controls, and initial reproducible benchmarks from the open-source implementation. Across 83 Router benchmark cases, Tool Forge Router achieves aggregate micro-F1 of 0.901 while reducing estimated task-flow tool context by 99.2% relative to naive full-catalog schema exposure. In a 25-case end-to-end generation probe over local-tool tasks, Tool Forge generates 25 of 25 tool bundles, reaches micro-F1 of 0.940 against deterministic acceptance checks, and passes 23 of 25 live sandbox validations. These results are presented as an initial systems benchmark, not as a state-of-the-art claim. The paper identifies remaining challenges in adversarial routing, broader API grounding, sandbox isolation, and cross-system evaluation.
Swanand Rao
May 27, 2026cs.LG

Knowing When to Ask: Segment-Level Credit Assignment for LLM Tool Use

Humans know when to reach for help e.g. 347×28347 \times 28 warrants a calculator while 2+22+2 does not. Language models do not. Prompt-based approaches can instruct a model when to invoke tools, but this scaffolding does not teach it to recognize the boundary of its own knowledge. RL approaches that assign a single outcome reward to the whole trajectory fare no better: trajectory-level credit cannot isolate which tool call in a successful episode actually helped, nor penalize unnecessary calls. We propose \textbf{CARL} (\textbf{C}ompetence-\textbf{A}ware \textbf{R}einforcement \textbf{L}earning), which trains a critic on the model's own rollouts to learn where parametric knowledge suffices and where it needs external help. By decomposing each rollout at natural tool-use boundaries (e.g., code fence delimiters and context block transitions), CARL assigns independent credit to each segment from a single binary outcome, without external judges or step-level annotations. As a result, erroneous tool calls, incorrect extractions, and unnecessary calls each receive appropriately signed advantages. The trained critic captures the model's domain competence: it separates parametrically solvable from tool-dependent questions with AUC 0.93 at 7B. On five benchmarks spanning arithmetic, multi-hop factual QA, and numerical reasoning over financial tables, CARL improves exact-match accuracy by 6.7 points at 7B and 9.7 points at 3B over the best RL baseline, with the largest gain (+8.3 EM at 7B, +9.0 EM at 3B) on Musique. The model issues 53% fewer tool calls on parametrically answerable questions while remaining 10{\sim}10 EM points more accurate on them. Gains are largest at small scale: the 3B improvement is 1.4×1.4\times the 7B improvement, suggesting that knowing when to ask disproportionately benefits models with smaller parametric memory.
Abhijit Kumar, Zoey Wu, Mohit Suley
May 26, 2026cs.AI

Voluntary Collusion with Secret Tools in Competing LLM Agents

Even when a tool is explicitly described as unfair and harmful to others, ostensibly safety-aligned LLM agents still voluntarily engage in secret collusion whenever doing so confers a strategic advantage. To investigate this phenomenon, we introduce an empirical framework built on two strategic multi-agent environments: Liar's Bar, a competitive deception scenario, and Cleanup, a mixed-motive resource-management scenario, in which agents are offered secret collusion tools that provide significant advantages while clearly disadvantaging the other agents. Across 12 models (at the 7B, 70B, and proprietary scales) and 6 prompt variants, we find that most agents consistently accept these tools and develop collusive strategies, while explicitly acknowledging the unfairness of the tools before accepting. We further show that neither the unfairness labels nor baseline alignment alone reliably deters collusion: only explicit ethical framing reduces adoption and, even then, smaller models remain susceptible. More broadly, our work presents the first systematic investigation of voluntary collusion adoption in LLM-based multi-agent systems, and suggests that preventing such behaviour requires explicit safeguards rather than reliance on general alignment.
Xijie Zeng, Frank Rudzicz
May 26, 2026cs.RO

Enabling Extensible Embodied Capabilities with Tools

Most existing embodied intelligence methods formulate perception, reasoning, planning, and control within a unified parameterized policy. Yet these capabilities are inherently hierarchical and heterogeneous, making them difficult to reliably learn and modularize within a single model. We propose a capability externalization approach that decouples heterogeneous capabilities into independently optimized tools, dynamically invoked at inference time. To this end, we introduce Embodied Tool Protocol (ETP), a standardized protocol for embodied tool registration, discovery, invocation, and execution, and curate 100+ validated tools spanning perception, cognition, reasoning, and execution as the tool base. Building on this, we construct EmbodiedToolBench to evaluate both whether tool augmentation improves embodied performance and how well current models use tools across tool-necessity recognition, tool selection, tool execution, and tool-chain composition. Experiments across simulation and real-world platforms confirm that capability externalization consistently improves embodied performance (avg. gain 31% on EB-ALFRED and 36% on EB-Navigation), yet reveal a clear boundary: gains are substantial for cognition and perception but are limited for execution-type capabilities. Moreover, our analysis reveals that knowing when, which, and how to invoke tools remains a persistent challenge across all models, thereby highlighting embodied tool competence as a critical direction for future research.
Xueyang Zhou, Zijia Wang, Qianjiang Li +7
May 25, 2026cs.LG

Stateful Inference for Low-Latency Multi-Agent Tool Calling

Multi-agent tool calling is becoming the dominant interaction pattern for LLM-based systems, yet existing inference frameworks treat each tool call as an independent request, re-processing the entire conversation from scratch even though 85-95% of the prompt is unchanged from the previous turn. We present a stateful inference architecture that converts the O(nt)O(n_t) per-turn cost of conventional serving into an O(Δt)O(Δ_t) delta-only cost: a persistent KV cache lives across turns and advances by ingesting only the new tokens, while a radix prefix cache extends this across interleaved multi-agent traffic and a prompt-lookup speculative decoder accelerates structured output. Against vLLM and SGLang on novel, fully-generated workloads, the reference implementation is 2.1×2.1\times faster per turn on a 6-turn agentic workflow and 4.2×4.2\times on the median turn of a 35-turn one, halving end-to-end wall time. The advantage comes from stateful reuse and speculation, not caching.
Victor Norgren
May 25, 2026cs.CL

Peak-Then-Collapse and the Four Interface Channels of Knowledge-Graph Tool Use

We test the standard RLVR tool-use recipe -- GRPO on Qwen2.5-7B-Instruct -- on a deliberately minimal knowledge-graph tool API: four Freebase navigation verbs over Complex WebQuestions. Under a self-verifiable retrieval reward, the policy's tool-grounded answer rate climbs from 3.8%3.8\% to 9.6%9.6\% over 250 steps, then collapses to 0%0\% within a single 50-step window -- a \emph{peak-then-collapse} pattern replicated across four seeds. Across seven reward designs, we find four recurring failure modes: adding denser or more targeted proxy rewards shifts the failure mode rather than eliminating it. We argue that a key difference from Python interpreters, web search, and JSON APIs is interface feedback: their failures often leak natural-language signal the model saw in pretraining. A Python traceback names the failing line; an empty Freebase result \texttt{[]} does not. Stripping away that surface exposes a degradation regime that same-family reward redesigns do not fix. A direct oracle ablation rules out relation selection: injecting gold relations at every retrieval call lifts exact-match accuracy by only +0.20+0.20~pp, and 95.4%95.4\% of retrieval-dependent errors are retrieval-composition failures rather than answer-extraction failures. As a mitigation, one-iteration self-distillation reaches 40.0%40.0\% EM at 7B and is capacity-invariant: doubling capacity to 14B improves EM by only 0.250.25~pp, and initialization barely matters -- the ceiling appears interface-bound within the 7B--14B range tested.
Tianda Sun, Dimitar Kazakov
May 24, 2026cs.CR

MemMorph: Tool Hijacking in LLM Agents via Memory Poisoning

LLM-driven agents are capable of selecting external tools to complete users' tasks. However, attackers could compromise such process, steering agents toward inappropriate/wrong tools and enabling malicious actions. Most existing attacks primarily manipulate the tool metadata, which is easily detectable by auditing and may lose effectiveness as modern agents increasingly adopt memory modules to refine tool selection policies through accumulated experience. This paper proposes MemMorph, the first attack that bias tool selection by poisoning the agent's long-term memory. Rather than explicitly dictating the tool invocation decision, MemMorph injects a small number of crafted records that are disguised as technical facts, incident reports, and operational policies. These poisoned records reshape the agent's contextual perception and decision-making process, leading it to autonomously infer and select the tool preferred by the attacker. Experiments across 3 benchmarks, 10 agent backbones, and 3 memory-module implementations show that MemMorph achieves up to 85.9% attack success rate with only three injected records, outperforming the strongest baseline by up to 25% while retaining potency under 3 representative defenses. Our findings expose long-term memory as a critical and under-explored attack surface in tool-augmented agents, urging the development of memory-level integrity safeguards.
Xuanye Zhang, Yongsen Zheng, Zhuqin Xu +5
May 23, 2026cs.RO

Geometric Workspace Analysis and Transmission-Aware Dynamics of a Serial Spherical Tool for Microsurgery

We present a kinematic and transmission-aware design framework for a serial spherical mechanism with an additional translational degree of freedom for microsurgery. The first contribution is an analytical workspace formulation that provides geometric insight into reachable motion and enables rapid selection of rotation axis orientations without numerical optimization. The second contribution is a dynamics-informed methodology for mechanisms driven by self-locking transmissions, supporting evaluation of torque requirements for a prescribed workspace geometry. The framework is accompanied by an open-source software package for friction identification and inverse dynamics analysis. Experiments on a purpose-built robotic tool for vitreoretinal surgery validate the predictive capability of the models and demonstrate their practical utility for engineering design.
Anestis Mablekos-Alexiou, Lyndon da Cruz, Christos Bergeles
May 23, 2026cs.IR

How Many Tools Should an LLM Agent See? A Chance-Corrected Answer

Before an LLM agent can use a tool, a retrieval system must decide which candidate tools to show to the agent. How long should that shortlist be? Show too many tools and the model struggles to choose. Show too few and the correct tool may not appear. Most systems apply a fixed shortlist size to every query, but no standard metric exists to evaluate whether that size was appropriate. We treat the number of tools shown to an LLM agent as the object of evaluation and we apply Bits-over-Random (BoR), a chance-corrected metric that asks whether success at a given depth is better than what random selection would achieve at that same depth. We evaluate BoR across three tool-selection benchmarks, multiple scorers, and registries ranging from 20 to 3,251 tools. We then turn the same principle into a reinforcement learning (RL) reward for choosing tool shortlist depth per query. The RL agent is deliberately simple, serving as a probe of the metric rather than a proposed system. As the shortlist grows, random chance of including the correct tool rises, so the reward naturally decreases, reducing the need for an engineered depth penalty. On BFCL (370 tools), the learned policy nearly matches the coverage of showing 50 tools (90.3%90.3\% vs 90.8%90.8\%) while presenting only 7 on average. On ToolBench (3,251 tools), a fixed shortlist of 5 tools achieves higher aggregate coverage (64.7%64.7\% vs 61.9%61.9\%) but finds nothing on hard queries (correct tool ranked 6th-20th). The BoR agent finds 16.7%16.7\% on those same queries by searching deeper. Downstream validation with Claude Sonnet 4.6 indicates that shorter adaptive lists also improve the LLM's ability to select the right tool: 93.1%93.1\% versus 87.1%87.1\% when always shown 5 tools, widening to 76.8%76.8\% vs 60.9%60.9\% on medium-difficulty queries where the correct tool is present but not ranked first.
Vyzantinos Repantis, Ameya Gawde, Harshvardhan Singh +1
May 22, 2026cs.CV

B-GRTO: Bootstrapped Group Relative Tool Optimization for Referring Segmentation

Segmentation is a fundamental task in computer vision, underpinning pixel-level scene understanding and serving as a cornerstone for applications ranging from autonomous perception to medical image analysis. For complex referring segmentation, recent methods pair large vision-language models with segmentation decoders: the former analyzes the image and prompt, while the latter predicts the target mask. Although reinforcement learning improves reasoning-intensive vision-language systems, trainable tools such as segmentation decoders are typically optimized separately with differentiable objectives, and the principled integration of such objectives into reinforcement learning remains underexplored. Thus, we introduce group relative tool optimization (GRTO), a mathematically grounded framework for jointly optimizing a policy with differentiable tool use. GRTO reuses group relative policy optimization (GRPO) rollouts to optimize the auxiliary tool objective, letting decoder gradients complement policy rewards. Further, we derive Bootstrapped-GRTO (B-GRTO), a pre-training method that cheaply bootstraps the tool, leading to faster convergence and superior performance. Across three challenging referring segmentation settings, B-GRTO results in substantial improvements over plain GRPO, matching or surpassing domain-specific state-of-the-art methods. This demonstrates the value of unifying reinforcement learning with differentiable auxiliary objectives for reasoning-intensive segmentation.
Mario Markov, Stefan Maria Ailuro, Mohammad Mahdi +2
May 21, 2026cs.LG

Molecular Lead Optimization via Agentic Tool Planning

Drug discovery is a lengthy and resource-intensive process composed of multiple stages. Among these stages, lead optimization plays a critical role in transforming early hit compounds into viable drug candidates. This stage requires improving ADMET-related properties through subtle structural refinement while preserving key molecular substructures responsible for binding affinity to disease targets. Recent advances in artificial intelligence have shown promise in accelerating various aspects of drug discovery; however, most existing approaches to lead optimization rely on one-step molecular optimization, which fail to account for the long-term consequences of sequential design decisions. To address this limitation, we propose TRACE, a trajectory-aware, LLM-reasoning agent for molecular lead optimization that formulates tool selection as a sequential decision-making problem over action trajectories. Given a lead molecule and an optimization objective, TRACE makes trajectory-aware decisions over molecular optimization tools, enabling forward-looking refinement under structural constraints. Experiments on multiple ADMET optimization tasks show that our agent achieves higher optimization success, larger property improvements, and higher validity, while preserving molecular similarity compared to baseline models.
Lingxiao Li, Haobo Zhang, Ruohao Fan +2