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ICML 2026PosterAccept (regular)

SciAgentGym: Benchmarking Multi-Step Scientific Tool-Use in LLM Agents

Yujiong Shen, Yajie Yang, Zhiheng Xi, Binze Hu, Huayu Sha, Qiyuan Peng, Jiazheng Zhang, Junlin Shang, Jixuan Huang, Yutao Fan, Jingqi Tong, Shihan Dou, Ming Zhang, LEI BAI, Zhenfei Yin, Tao Gui, Xingjun Ma, Qi Zhang, Xuanjing Huang, Yu-Gang Jiang

Fudan University · Fudan Universaity · Shanghai Artificial Intelligence Laboratory · Shanghai AI Laboratory · University of Oxford · Deakin University

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摘要

Scientific reasoning inherently demands integrating sophisticated toolkits to navigate domain-specific knowledge. Yet, current benchmarks largely overlook agents' ability to orchestrate tools for such rigorous workflows. To bridge this gap, we introduce **SciAgentGym**, a scalable interactive environment featuring 1,780 domain-specific tools across four natural science disciplines, supported by a robust execution infrastructure. Complementing this, we present **SciAgentBench**, a tiered evaluation suite designed to stress-test agentic capabilities from elementary actions to long-horizon workflows. Our evaluation identifies a critical bottleneck: state-of-the-art models struggle with complex scientific tool-use. Even for a leading model like GPT-5, success rates drop sharply from 60.6% to 30.9% as interaction horizons extend, primarily due to failures in multi-step workflow execution. To address this, we propose **SciForge**, a data synthesis method that models the tool action space as a dependency graph to generate logic-aware training trajectories. By fine-tuning on these trajectories, our SciAgent-8B outperforms the significantly larger Qwen3-VL-235B-Instruct while exhibiting positive cross-domain transfer of scientific tool-use capabilities. These results underscore the promising potential of next-generation autonomous scientific agents.