2 papers
cs.LG2018
Discovering Molecular Functional Groups Using Graph Convolutional Neural Networks
Phillip Pope, Soheil Kolouri, Mohammad Rostrami +2
Functional groups (FGs) are molecular substructures that are served as a foundation for analyzing and predicting chemical properties of molecules. Automatic discovery of FGs will i…
cs.LG2018
Sliced-Wasserstein Autoencoder: An Embarrassingly Simple Generative Model
Soheil Kolouri, Phillip E. Pope, Charles E. Martin +1
In this paper we study generative modeling via autoencoders while using the elegant geometric properties of the optimal transport (OT) problem and the Wasserstein distances. We int…