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Paper · arXiv

Out-Of-The-Loop Multi-Fidelity Bayesian Optimization

Black-box optimization is a ubiquitous problem in science and engineering, often dealing with expensive objective functions with cheaper lower-fidelity proxies available. Multi-fidelity Bayesian optimization (MF-BO) is a principled approach to this problem, leveraging correlations across different fidelities when querying the objective. However, for many important MF-BO tasks, the true highest-fidelity function is prohibitively expensive to be part of the optimization loop. Nevertheless, practitioners often have gold standard data (observations of the highest-fidelity function) obtained from previous experiments that might provide information for the current task. For instance, in molecul...

AuthorsGustavo Sutter, Hao Wang, Luis Ricardez-Sandoval et al.
Primary categorycs.LG
Published4 August 2026
Last updated at source4 August 2026
cs.LGcs.AI
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