Search at the Cost of Sampling: Nearly-Instant Latent Space Bayesian Optimization
Generative models are increasingly central to many de novo discovery pipelines, in which designs are generated at scale and filtered through virtual screens to determine a set of candidates to experimentally validate. While Bayesian optimization (BO) is a natural fit for this setting, as it uses past evaluations to gui...
Donney Fan, Colin Doumont, Aleksandra Kalisz et al.
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