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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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Christofer Hardcastle

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Preprint Sep 2026

Portfolio-Based Constrained Multi-Objective Bayesian Optimization for Materials Design

Materials discovery and design campaigns can be formulated as constrained multi-objective Bayesian optimization (CMOBO) problems, within which each experimental decision negotiates between two coupled but competing goals: discovering feasible candidates and refining the underlying Pareto front. Here we recast acquisiti...

S. Sinha, Christofer Hardcastle, Robert Robinson et al. · 0 citations

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