262 citations · 1.8k across the 75 of their papers we have counts for
Showing 2019 · cs.LGShow all
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cs.LG2019★ 63 cited
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations
Ksenia Korovina, Sailun Xu, Kirthevasan Kandasamy +4
In applications such as molecule design or drug discovery, it is desirable to have an algorithm which recommends new candidate molecules based on the results of past tests. These m…
cs.LG2019★ 9 cited
ProBO: Versatile Bayesian Optimization Using Any Probabilistic Programming Language
Willie Neiswanger, Kirthevasan Kandasamy, Barnabas Poczos +2
Optimizing an expensive-to-query function is a common task in science and engineering, where it is beneficial to keep the number of queries to a minimum. A popular strategy is Baye…