1 code implementation • 28 Jul 2023 • Marco Eckhoff, Markus Reiher
The optimization algorithm and its hyperparameters can significantly affect the training speed and resulting model accuracy in machine learning applications.
no code implementations • 10 Mar 2023 • Marco Eckhoff, Markus Reiher
Machine learning potentials (MLPs) trained on accurate quantum chemical data can retain the high accuracy, while inflicting little computational demands.