2 papers
cs.LG2020
A Neural Network for Determination of Latent Dimensionality in Nonnegative Matrix Factorization
Benjamin T. Nebgen, Raviteja Vangara, Miguel A. Hombrados-Herrera +2
Non-negative Matrix Factorization (NMF) has proven to be a powerful unsupervised learning method for uncovering hidden features in complex and noisy data sets with applications in…
physics.chem-ph2018
Transferable Molecular Charge Assignment Using Deep Neural Networks
Ben Nebgen, Nick Lubbers, Justin S. Smith +6
We use HIP-NN, a neural network architecture that excels at predicting molecular energies, to predict atomic charges. The charge predictions are accurate over a wide range of molec…