MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization.
Tianfan FuCao XiaoXinhao LiLucas M. GlassJimeng SunPublished in: CoRR (2020)
Keyphrases
- optimization problems
- drug discovery
- global optimization
- monte carlo
- optimization method
- sequential quadratic programming
- neural network
- bi level
- discrete optimization
- linear constraints
- evolution strategy
- combinatorial optimization
- optimization algorithm
- optical flow
- support vector
- bayesian networks
- database systems
- case study
- decision trees