BO has been used to create and adaptively refine surrogate models for physics-based simulations whether acting directly as the surrogate model or tuning hyperparameters of a surrogate model . Other examples include experimental discovery and crystal structure prediction . A review of Bayesian optimization applied to materials science in general is given in Kotthoff et al. with a review of advanced Bayesian optimization methods applied to materials science given in Arróyave et al. .