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Relaxing the Additivity Constraints in Decentralized No-Regret High-Dimensional Bayesian Optimization

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Bayesian Optimization for Chemical Reactions

Philippe Schwaller, Jeff Guo, Bojana Rankovic

Reaction optimization is challenging and traditionally delegated to domain experts who iteratively pro-pose increasingly optimal experiments. Problematically, the reaction landscape is complex and often requires hundreds of experiments to reach convergence ...
Swiss Chemical Soc2023