Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization.
Wenhao GaoTianfan FuJimeng SunConnor W. ColeyPublished in: CoRR (2022)
Keyphrases
- real world
- global optimization
- optimization problems
- optimization method
- optimization algorithm
- constrained optimization
- discrete optimization
- optimization methods
- optimization process
- optimization strategies
- databases
- drug discovery
- comparative analysis
- high efficiency
- sample size
- computational complexity
- website
- neural network