no code implementations • 27 Nov 2023 • Mario Boley, Felix Luong, Simon Teshuva, Daniel F Schmidt, Lucas Foppa, Matthias Scheffler
Materials discovery driven by statistical property models is an iterative decision process, during which an initial data collection is extended with new data proposed by a model-informed acquisition function--with the goal to maximize a certain "reward" over time, such as the maximum property value discovered so far.