2 papers
cs.LG2022
Learning Invariances with Generalised Input-Convex Neural Networks
Vitali Nesterov, Fabricio Arend Torres, Monika Nagy-Huber +2
Considering smooth mappings from input vectors to continuous targets, our goal is to characterise subspaces of the input domain, which are invariant under such mappings. Thus, we w…
q-bio.BM2020
3DMolNet: A Generative Network for Molecular Structures
Vitali Nesterov, Mario Wieser, Volker Roth
With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing gen…