David Duvenaud

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.

Rafael Gómez‐Bombarelli, Jennifer N. Wei, David Duvenaud et al. · Apollo (University of Cambridge) · 2018 · 2K citations · Full text

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

Rafael Gómez‐Bombarelli, Jorge Aguilera‐Iparraguirre, Timothy Hirzel et al. · Nature Materials · 2016 · 1.1K citations

Organic Charge-transfer Compound, White Oled, Chemical Engineering +11

Convolutional Networks on Graphs for Learning Molecular Fingerprints

David Duvenaud, Dougal Maclaurin, Jorge Aguilera‐Iparraguirre et al. · arXiv (Cornell University) · 2015 · 905 citations · Full text

Geometric Learning, Convolutional Neural Network, Engineering +20

Neural Ordinary Differential Equations

Ricky T. Q. Chen, Yulia Rubanova, Jesse Bettencourt et al. · arXiv (Cornell University) · 2018 · 566 citations · Full text

Artificial Intelligence, Engineering, Machine Learning +16

Gradient-based Hyperparameter Optimization through Reversible Learning

Dougal Maclaurin, David Duvenaud, Ryan P. Adams · arXiv (Cornell University) · 2015 · 403 citations · Full text

Artificial Intelligence, Derivatives Backwards, Model Optimization +12