Training-free hyperparameter optimization of neural networks for electronic structures in matter

Lenz Fiedler, Nils Hoffmann, Parvez Mohammed, Gabriel A. Popoola, Tamar Yovell, Vladyslav Oles, J. Austin Ellis, Sivasankaran Rajamanickam, Attila Cangi. Training-free hyperparameter optimization of neural networks for electronic structures in matter. Mach. Learn. Sci. Technol., 3(4):45008, December 2022. [doi]

Abstract

Abstract is missing.