Raymundo Arroyave

Surrogate-Gated Generation and Foundation-Model Embeddings for Bayesian Materials Design

Sk Md Ahnaf Akif Alvi, Jan Janssen, Danny Perez, Douglas Allaire, Raymundo Arroyave

Closed-loop materials discovery iterates between proposing candidate structures and evaluating their properties, and property evaluation dominates the cost. In the generative variant, a learned prior proposes candidate crystals and a property oracle scores them; we ask whether a…Read more