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physics.comp-ph2022★ 123 cited
Machine learning and density functional theory
Ryan Pederson, Bhupalee Kalita, Kieron Burke
Over the past decade machine learning has made significant advances in approximating density functionals, but whether this signals the end of human-designed functionals remains to…
physics.comp-ph2020
Kohn-Sham equations as regularizer: building prior knowledge into machine-learned physics
Li Li, Stephan Hoyer, Ryan Pederson +4
Including prior knowledge is important for effective machine learning models in physics, and is usually achieved by explicitly adding loss terms or constraints on model architectur…