巴雷托-最佳实验:在扫描探头显微镜中以人类为指导的多目标贝叶斯优化
Yu Liu1, Sergei V Kalinin1,2
1Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States.
Nano letters
|December 23, 2025
概括
多目标贝叶斯优化 (MOBO) 在自动化实验中平衡竞争目标. 这个框架整合了人类的指导,在自动驾驶实验室中实现可重复的,高效的科学发现.
科学领域:
- 人工智能的人工智能
- 化学 化学 化学
- 材料科学 材料科学 材料科学
- 机器人技术 机器人技术 机器人技术
- 科学方法科学方法学
背景情况:
- 自动化实验加速了发现,但在不确定性下,它难以优化冲突的目标.
- 系统方法对于管理复杂,多目标的实验景观至关重要.
研究的目的:
- 介绍多目标贝叶斯优化 (MOBO) 作为自主实验的一般框架.
- 能够平衡竞争的奖励,并将人类指导纳入科学优化中.
- 提供一种基于原则的方法来探索参数空间并做出可量化的决定.
主要方法:
- 开发了一个多目标贝叶斯优化 (MOBO) 框架.
- 构建了帕雷托正面,以表示所有权衡解决方案.
- 集成的人在循环控制调整目标和参考点.
主要成果:
- MOBO确定了帕雷托前线,详细介绍了部分已知的奖励函数之间的权衡.
- 揭示了目标之间的相互依赖关系,使得系统的探索成为可能.
- 证明了MOBO能够在不停止自动化的情况下纳入专家判断的能力.
结论:
- MOBO将实验优化从试错转变为可重复的,可解释的过程.
- 人类指导增强了MOBO,使研究人员能够引导实验达到预期的结果.
- MOBO为高效,可靠的自动驾驶实验室提供了一个可扩展的方法.
关键词:
SPM SPM SPM SPM SPM SPM SPM SPM SPM SPM SPM SPM SPM SPM SPM SPM SPM SPM自动化实验自动化实验人类在循环中的控制控制多目标贝叶斯式优化奖励工程奖励工程奖励工程奖励更多相关视频
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