Chimera: enabling hierarchy based multi-objective optimization for self-driving laboratories

Chimera:为自动驾驶实验室实现基于层次结构的多目标优化

阅读:1

Abstract

Finding the ideal conditions satisfying multiple pre-defined targets simultaneously is a challenging decision-making process, which impacts science, engineering, and economics. Additional complexity arises for tasks involving experimentation or expensive computations, as the number of evaluated conditions must be kept low. We propose Chimera as a general purpose achievement scalarizing function for multi-target optimization where evaluations are the limiting factor. Chimera combines concepts of a priori scalarizing with lexicographic approaches and is applicable to any set of n unknown objectives. Importantly, it does not require detailed prior knowledge about individual objectives. The performance of Chimera is demonstrated on several well-established analytic multi-objective benchmark sets using different single-objective optimization algorithms. We further illustrate the applicability and performance of Chimera with two practical examples: (i) the auto-calibration of a virtual robotic sampling sequence for direct-injection, and (ii) the inverse-design of a four-pigment excitonic system for an efficient energy transport. The results indicate that Chimera enables a wide class of optimization algorithms to rapidly find ideal conditions. Additionally, the presented applications highlight the interpretability of Chimera to corroborate design choices for tailoring system parameters.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。