Ryan P. Adams

Practical Bayesian Optimization of Machine Learning Algorithms

Jasper Snoek, Hugo Larochelle, Ryan P. Adams · arXiv (Cornell University) · 2012 · 5.7K citations · Full text

Computing, Computer Science, Artificial Intelligence +16

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

Rafael Gómez‐Bombarelli, Jennifer N. Wei, David Duvenaud et al. · Cambridge University Engineering Department Publications Database · 2018 · 2K citations · Full text

Pharmacy, Chemistry, Computational Chemistry +16

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

Natural Sciences, Chemistry, Physics +11

Bayesian reaction optimization as a tool for chemical synthesis

Benjamin J. Shields, Jason M. Stevens, Jun Li et al. · Nature · 2021 · 1K citations

Engineering, Chemical Engineering, Chemistry +14

Practical Bayesian Optimization of Machine Learning Algorithms

Jasper Snoek, Hugo Larochelle, Ryan P. Adams · Digital Access to Scholarship at Harvard (DASH) (Harvard University) · 2012 · 994 citations · Full text

Computing, Computer Science, Artificial Intelligence +16