José Miguel Hernández-Lobato

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

Probabilistic Backpropagation for Scalable Learning of Bayesian Neural Networks

José Miguel Hernández-Lobato, Ryan P. Adams · arXiv (Cornell University) · 2015 · 562 citations · Full text

Computing, Computer Science, Artificial Intelligence +12

Minerva

Brandon Reagen, Paul N. Whatmough, Robert Adolf et al. · ACM SIGARCH Computer Architecture News · 2016 · 471 citations

Engineering, Computer Engineering, Computer Science +13

Predictive Entropy Search for Efficient Global Optimization of Black-box Functions

José Miguel Hernández-Lobato, Matthew W. Hoffman, Zoubin Ghahramani · arXiv (Cornell University) · 2014 · 400 citations · Full text

Computing, Biotechnology, Computer Science +15

Constrained Bayesian optimization for automatic chemical design using variational autoencoders

Ryan‐Rhys Griffiths, José Miguel Hernández-Lobato · Chemical Science · 2019 · 360 citations · Full text

Natural Sciences, Chemistry, Computational Design +16