Active oversight and quality control in standard Bayesian optimization for autonomous experiments

Abstract The fusion of experimental automation and machine learning has catalyzed a new era in materials research, prominently featuring Gaussian Process (GP) Bayesian Optimization (BO) driven autonomous experiments. Here we introduce a Dual-GP approach that enhances traditional GPBO by adding a sec...

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Bibliographic Details
Main Authors: Sumner B. Harris, Rama Vasudevan, Yongtao Liu
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01485-2
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