... not been sampled yet. We show that domain knowledge about physical descriptors can be intuitively embedded into the latent variable Gaussian process approach — a mixed-variable GP modeling technique — and used to selectively explore levels of qualitative variables in the Bayesian optimization framework...

... Optimization for multiple objectives to identify the Pareto Frontier within tens of iterations. These findings project Bayesian Optimization as a powerful tool for design of engineered material systems. data-centric material design latent variable Gaussian process mixed-variable Bayesian optimization...