Sample-efficient Multi-objective Molecular Optimization with GFlowNets.
Yiheng ZhuJialu WuChaowen HuJiahuan Yankim hsiehTingjun HouJian WuPublished in: NeurIPS (2023)
Keyphrases
- multi objective
- optimization algorithm
- multiple objectives
- evolutionary algorithm
- optimization problems
- evolutionary optimization
- multi objective optimization
- conflicting objectives
- lightweight
- cost effective
- genetic algorithm
- multi objective evolutionary algorithms
- optimization method
- computationally expensive
- combinatorial optimization
- global optimization
- trade off
- bi objective
- search algorithm
- data structure
- neural network
- molecular structure