ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations.
Ksenia KorovinaSailun XuKirthevasan KandasamyWillie NeiswangerBarnabás PóczosJeff SchneiderEric P. XingPublished in: AISTATS (2020)
Keyphrases
- 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