4.6k citations · 31.4k across the 155 of their papers we have counts for
Showing 2017 · stat.MLShow all
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stat.ML2017★ 75 cited
Parallel and Distributed Thompson Sampling for Large-scale Accelerated Exploration of Chemical Space
José Miguel Hernández-Lobato, James Requeima, Edward O. Pyzer-Knapp +1
Chemical space is so large that brute force searches for new interesting molecules are infeasible. High-throughput virtual screening via computer cluster simulations can speed up t…
stat.ML2017★ 493 cited
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models
Gabriel Lima Guimaraes, Benjamin Sanchez-Lengeling, Carlos Outeiral +2
In unsupervised data generation tasks, besides the generation of a sample based on previous observations, one would often like to give hints to the model in order to bias the gener…