arXiv:2606.15522cond-mat.mtrl-scics.RO2026-06

NIMO让不同AI算法与机器人无缝协作,加速材料自主探索。

NIMO: A Software Platform for Closed-Loop Materials Exploration with Diverse AI Algorithms

  • 通过CSV文件解耦AI与机器人,支持多种算法接入
  • 内置12种AI算法,覆盖电解质、有机合成等6类实验
  • 提供无代码界面,非程序员也能参与自主实验

自驱动实验室(SDL)正成为材料发现的前沿,其核心挑战在于如何将针对特定目标设计的多样化AI算法与异构的机器人硬件无缝衔接。本文提出开源软件平台NIMO,通过三大范式突破此瓶颈:基于简单CSV文件交换的AI-机器人模块化解耦、可融入领域知识的离散候选池架构,以及预装12种不同AI算法的统一Python接口。在本展望中,我们综述了各算法原理,并展示由NIMO驱动的六类SDL应用实例,涵盖电解质发现、有机合成、薄膜探索、燃料电池过程信息学、咖啡环相变探索及老旧液体处理自动化。其中一项还验证了NIMO与IvoryOS编排框架的无缝互操作性。为推动自主科学普及,我们进一步推出无需编码的桌面应用,支持非编程人员进行人机协同探索。NIMO已开源(https://github.com/NIMS-DA/nimo),可即插即用,助力跨实验场景的自主材料探索加速。

原文摘要 · Abstract (English)

Self-driving laboratories (SDLs), where artificial intelligence proposes subsequent experiments and robotic systems execute them, are rapidly becoming the vanguard of materials discovery. A critical bottleneck, however, lies in seamlessly bridging diverse AI algorithms tailored for specific exploration goals with the heterogeneous robotic hardware found across different laboratories. Here, we present NIMO, an open-source software platform designed to dissolve this barrier through three core paradigms: a modular AI-robot decoupling mediated via simple CSV file exchange, a discrete candidate-pool architecture that seamlessly absorbs domain knowledge, and a unified Python interface pre-loaded with twelve distinct AI algorithms. In this Perspective, we review the operational principles of each algorithm alongside six diverse SDL implementations driven by NIMO, covering electrolyte discovery, organic synthesis, thin-film exploration, fuel-cell process informatics, coffee-ring phase exploration, and legacy liquid-handling automation. One of these also demonstrates NIMO's seamless interoperability with the IvoryOS orchestration framework. To democratize autonomous science, we also introduce a no-code desktop application that enables intuitive, human-in-the-loop exploration for non-programmers. NIMO is freely available at https://github.com/NIMS-DA/nimo, offering a versatile, plug-and-play foundation to accelerate autonomous materials exploration across diverse experimental landscapes.

自驱动实验AI+机器人材料发现开源平台

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