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Bayesian optimization for material discovery processes with noise

Sanket Diwale, Maximilian K. Eisner, Corinne Carpenter, Weike Sun, Gregory C. Rutledge, Richard D. Braatz

2022Molecular Systems Design & Engineering28 citationsDOIOpen Access PDF

Abstract

An augmented Bayesian optimization approach is presented for materials discovery with noisy and unreliable measurements.

Topics & Concepts

Bayesian optimizationBayesian probabilityComputer scienceNoise (video)Artificial intelligenceImage (mathematics)Advanced Multi-Objective Optimization AlgorithmsMachine Learning and AlgorithmsOptimal Experimental Design Methods
Bayesian optimization for material discovery processes with noise | Litcius