arxivcs.LGphysics.chem-phphysics.comp-ph2026-07-31
Frugal Bayesian Optimization: Scalable Surrogates for Data- and Resource-Limited Discovery
Panagiotis Krokidas, Christoforos Rekatsinas, Vassilis Sioros, Grigorios M. Chatziathanasiou, Efi-Maria Papia, George Giannakopoulos
Bayesian Optimization (BO) is widely adopted for data-efficient optimization in scientific and engineering applications, yet its computational cost is rarely evaluated alongside optimization performance. Here we present a systematic, compute-aware study of BO that evaluates surro…