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ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations.
Ksenia Korovina
Sailun Xu
Kirthevasan Kandasamy
Willie Neiswanger
Barnabás Póczos
Jeff Schneider
Eric P. Xing
Published in:
AISTATS (2020)
Keyphrases
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optimization algorithm
efficient optimization
global optimization
recommender systems
maximum likelihood
optimization method
database
data driven
model selection
low cost
case study
machine learning
multi objective
image processing
differential evolution
genetic algorithm
combinatorial optimization
optimization process
constrained optimization
bayesian learning
bayesian estimation
discrete optimization
real time