cs.AI updates on arXiv.org 10月01日
AutoLabs:自动驾驶实验室中的自我校正多智能体架构
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本文介绍了AutoLabs,一种能够将自然语言指令自动转换为执行协议的自我校正多智能体架构,旨在加速化学研究。通过一系列基准实验和消融研究,证明了该架构在复杂任务中能够显著降低化学量误差,并实现接近专家水平的程序准确性。

arXiv:2509.25651v1 Announce Type: new Abstract: The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges. In this work, we introduce AutoLabs, a self-correcting, multi-agent architecture designed to autonomously translate natural-language instructions into executable protocols for a high-throughput liquid handler. The system engages users in dialogue, decomposes experimental goals into discrete tasks for specialized agents, performs tool-assisted stoichiometric calculations, and iteratively self-corrects its output before generating a hardware-ready file. We present a comprehensive evaluation framework featuring five benchmark experiments of increasing complexity, from simple sample preparation to multi-plate timed syntheses. Through a systematic ablation study of 20 agent configurations, we assess the impact of reasoning capacity, architectural design (single- vs. multi-agent), tool use, and self-correction mechanisms. Our results demonstrate that agent reasoning capacity is the most critical factor for success, reducing quantitative errors in chemical amounts (nRMSE) by over 85% in complex tasks. When combined with a multi-agent architecture and iterative self-correction, AutoLabs achieves near-expert procedural accuracy (F1-score > 0.89) on challenging multi-step syntheses. These findings establish a clear blueprint for developing robust and trustworthy AI partners for autonomous laboratories, highlighting the synergistic effects of modular design, advanced reasoning, and self-correction to ensure both performance and reliability in high-stakes scientific applications. Code: https://github.com/pnnl/autolabs

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自动驾驶实验室 化学研究 多智能体架构 自我校正 人工智能
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