Accelerating Bayesian Optimization for Biological Sequence Design with Denoising Autoencoders

Samuel Stanton, Wesley J. Maddox, Nate Gruver, Phillip Maffettone, Emily Delaney, Peyton Greenside, Andrew Gordon Wilson

Abstract: Bayesian optimization (BayesOpt) is a gold standard for query-efficient continuous optimization. However, its adoption for drug design has been hindered by the discrete, high-dimensional nature of ...