Surrogate-Based Black-Box Optimization Method for Costly Molecular Properties.
Jules LeguyBéatrice DuvalBenoit Da MotaThomas CauchyPublished in: ICTAI (2021)
Keyphrases
- black box
- optimization method
- optimization algorithm
- optimization methods
- black boxes
- global optimum
- genetic algorithm
- optimization process
- evolutionary algorithm
- differential evolution
- white box
- simulated annealing
- particle swarm
- nonlinear optimization
- nelder mead simplex
- optimization procedure
- test cases
- white box testing
- integration testing
- metaheuristic
- databases
- data sets
- search algorithm
- quasi newton
- error prone
- hybrid algorithm
- hybrid systems
- neural network