LLM Tool Use

LLM: Large Language Model

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30 papers in the last four weeks, up 233% on the four weeks before. 0.3% of all new papers.

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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
May 4, 2026Aritra Roy, Kevin Shen, Andrew MacBride +350Multi-Agent LLM Systems AI Agents for Scientific Discovery
TSCG: Deterministic Tool-Schema Compilation for Agentic LLM Deployments
May 4, 2026Furkan SakizliTool-Augmented Language Model Agents LLM Tool Use
Independent Researcher
To Call or Not to Call: A Framework to Assess and Optimize LLM Tool Calling
May 1, 2026Qinyuan Wu, Soumi Das, Mahsa Amani +5Tool-Use Evaluation LLM Tool Use
Max Planck Institute for Software Systems · Ruhr University Bochum · UAR RC Trust
Are Tools All We Need? Unveiling the Tool-Use Tax in LLM Agents
Apr 30, 2026Kaituo Zhang, Zhen Xiong, Mingyu Zhong +4Tool-Augmented Language Model Agents Agentic Reasoning
University of Houston · University of Southern California · 3New York University +2
FAMA: Failure-Aware Meta-Agentic Framework for Open-Source LLMs in Interactive Tool Use Environments
Apr 28, 2026Amir Saeidi, Venkatesh Mishra, Souradeep Mukhopadhyay +4AI Agent Reliability Multi-Agent LLM Systems
Arizona State University · Cisco Research
Uncertainty Quantification for LLM Function-Calling
Apr 24, 2026Zihuiwen Ye, Lukas Aichberger, Michael Kirchhof +5Uncertainty Quantification LLM Tool Use
University of Oxford · Apple
Tool Attention Is All You Need: Dynamic Tool Gating and Lazy Schema Loading for Eliminating the MCP/Tools Tax in Scalable Agentic Workflows
Apr 23, 2026Anuj Sadani, Deepak KumarGated Attention LLM Tool Use
How Consistent Are LLM Agents? Measuring Behavioral Reproducibility in Multi-Step Tool-Calling Pipelines
Apr 23, 2026Abel YagubyanAI Agent Reliability LLM Agent Evaluation
Independent Researcher
AgenticQwen: Training Small Agentic Language Models with Dual Data Flywheels for Industrial-Scale Tool Use
Apr 23, 2026Yuanjie Lyu, Chengyu Wang, Haonan Zheng +4Tool-Augmented Language Model Agents Agentic RL
Alibaba Group, Hangzhou, China
R2IF: Aligning Reasoning with Decisions via Composite Rewards for Interpretable LLM Function Calling
Apr 22, 2026Aijia Cheng, Kailong Wang, Ling Shi +1RL for Language Models LLM Interpretability
Shanghai Key Laboratory of Trustworthy Computing, East China Normal University, Shanghai, China · Huazhong University of Science and Technology · Nanyang Technological University
Meta-Tool: Efficient Few-Shot Tool Adaptation for Small Language Models
Apr 22, 2026Sachin KumarSmall Language Models Few-Shot Prompting
LexisNexis, USA
ReCoQA: A Benchmark for Tool-Augmented and Multi-Step Reasoning in Real Estate Question and Answering
Apr 20, 2026Yindong Zhang, Wenmian Yang, Yiquan Zhang +1LLM Agent Orchestration AI Agent Benchmarks
Hong Kong Baptist University · Beijing Normal-Hong Kong Baptist University · Beijing Normal University
JTPRO: A Joint Tool-Prompt Reflective Optimization Framework for Language Agents
Apr 20, 2026Sandip Ghoshal, Anshul Mittal, Jyotika Singh +9AI Agent Reliability LLM Tool Use
Oracle AI
ProtoCycle: Reflective Tool-Augmented Planning for Text-Guided Protein Design
Apr 18, 2026Yutang Ge, Guojiang Zhao, Sihang Li +7LLM Self-Refinement LLM Tool Use
Shanghai Jiao Tong University, School of Mathematical Sciences · DP Technology · University of Science and Technology of China +1
Agentic Large Language Models for Training-Free Neuro-Radiological Image Analysis
Apr 17, 2026Ayhan Can Erdur, Daniel Scholz, Jiazhen Pan +3Medical Image Analysis Longitudinal Medical Image Analysis
Department of Radiation Oncology, TUM University Hospital, Munich, Germany · Chair for AI in Healthcare and Medicine, Technical University of Munich (TUM) and TUM University Hospital, Munich, Germany · Chair for AI for Image-Guided Diagnosis and Therapy, Technical University of Munich (TUM) and TUM University Hospital, Munich, Germany +3
Audio2Tool: Speak, Call, Act -- A Dataset for Benchmarking Speech Tool Use
Apr 17, 2026Ramit Pahwa, Apoorva Beedu, Parivesh Priye +4Audio-Language Model Evaluation Voice Agent Evaluation
Rivian and Volkswagen Group Technologies
UniToolCall: Unifying Tool-Use Representation, Data, and Evaluation for LLM Agents
Apr 13, 2026Yijuan Liang, Xinghao Chen, Yifan Ge +5LLM Agent Evaluation AI Agent Benchmarks
University of Science and Technology of China · Zhejiang Key Laboratory of Industrial Intelligence and Digital Twin, Eastern Institute of Technology, Ningbo · Department of Computing, The Hong Kong Polytechnic University
Agent-Facing Information Design in LLM Tool Registries: A Preregistered Test of Rhetoric, Position and Structure
Apr 12, 2026Haochuan Kevin Wang, Zechen ZhangTool-Use Evaluation Tool-Augmented Language Model Agents
Massachusetts Institute of Technology, Cambridge, MA, USA.
Agentic Tool Use in Large Language Models
Apr 1, 2026Jinchao Hu, Meizhi Zhong, Kehai Chen +2LLM Agent Evaluation Tool-Using Agents
School of Computer Science and Technology, Harbin Institute of Technology, Shenzhen, China · Independent Researcher, China
ZEBRAARENA: A Diagnostic Simulation Environment for Studying Reasoning-Action Coupling in Tool-Augmented LLMs
Mar 19, 2026Wanjia Zhao, Ludwig Schmidt, Yejin Choi +3LLM Evaluation AI Agent Benchmarks
Stanford University · Microsoft Research
CCTU: A Benchmark for Tool Use under Complex Constraints
Mar 16, 2026Junjie Ye, Guoqiang Zhang, Wenjie Fu +4Tool-Use Evaluation AI Agent Benchmarks
College of Computer Science and Artificial Intelligence, Fudan University
Tool Use Reduces Depth-Induced Collapse in OOD Reasoning
Feb 24, 2026David Koplow, Tomer Galanti, Tomaso PoggioOOD Generalization LLM Tool Use
Massachusetts Institute of Technology · Texas A&M University
LifeAgentBench: Benchmarking LLMs for Long-Horizon, Cross-Dimensional Lifestyle Health Reasoning
Jan 20, 2026Ye Tian, Zihao Wang, Onat Gungor +2Healthcare Long-Horizon Agent Evaluation
University of California San Diego, La Jolla, CA, USA · Google Research, Mountain View, CA, USA
Measuring Iterative Temporal Reasoning with Time Puzzles
Jan 12, 2026Zhengxiang Wang, Zeyu DongLLM Evaluation Temporal Reasoning in Language Models
Department of Applied Math and Statistics Stony Brook University
Lost in Execution: On the Multilingual Robustness of Tool Calling in Large Language Models
Jan 8, 2026Zheng Luo, T Pranav Kutralingam, Ogochukwu N Okoani +3Multilingual Language Model Evaluation LLM Tool Use
University of Southern California · 2Arizona State University
RIMRULE: Improving Tool-Using Language Agents via MDL-Guided Rule Learning
Dec 31, 2025Xiang Gao, Yuguang Yao, Qi Zhang +5Knowledge Augmentation for Language Models LLM Tool Use
1Intuit AI Research · 2Temple University
MCPAgentBench: A Real-world Task Benchmark for Evaluating LLM Agent MCP Tool Use
Dec 31, 2025Zixiang Liu, Wenrui Liu, Elsie Dai +5LLM Agent Evaluation AI Agent Benchmarks
Peking University · ZTE
AdaSearch: Balancing Parametric Knowledge and Search in Large Language Models via Reinforcement Learning
Dec 18, 2025Tzu-Han Lin, Wei-Lin Chen, Chen-An Li +3Retrieval-Augmented Generation Knowledge Augmentation for Language Models
National Taiwan University · Department of Computer Science, University of Virginia
Training Language Models to Use Prolog as a Tool
Dec 8, 2025Niklas Mellgren, Peter Schneider-Kamp, Lukas Galke PoechReward Hacking Logical Reasoning
University of Southern Denmark
Learning How to Use Tools, Not Just When: Pattern-Aware Tool-Integrated Reasoning
Sep 27, 2025Ningning Xu, Yuxuan Jiang, Shubhashis Roy Dipta +1LLM Tool Use Algorithmic Reasoning
University of Georgia · University of Maryland, Baltimore County · 3The University of Hong Kong

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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Aritra Roy, Kevin Shen, Andrew MacBride, Awwal Oladipupo+349

Multi-Agent LLM Systems AI Agents for Scientific Discovery LLM Tool Use

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Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.

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Latest papers 185