Machine learning (ML) plays a pivotal role in extending the reach of quantum chemistry methods for simulating both molecules and materials. However, leveraging ML to overcome the limitations of ...

Abstract: The effect of relative entropy asymmetry is analyzed in the context of empirical risk minimization (ERM) with relative entropy regularization (ERM-RER). We show that regularization by ...

Neural network training involves adjusting network parameters to minimise a loss function and thereby enable models to extract meaningful patterns from data. Fundamental optimisation schemes include ...