Robustness under parameter and problem domain alterations of Bayesian optimization methods for chemical reactions.
Rubaiyat Mohammad KhondakerStephen GowSamantha KanzaJeremy G. FreyMahesan NiranjanPublished in: J. Cheminformatics (2022)
Keyphrases
- optimization methods
- efficient optimization
- chemical reactions
- optimization method
- simulated annealing
- global convergence
- optimization approaches
- optimization problems
- bayesian network models
- chemical reaction
- unconstrained optimization
- stochastic methods
- trust region
- particle swarm
- direct optimization
- domain specific
- continuous optimization
- inverse problems
- genetic algorithm
- gradient method
- portfolio optimization
- stage stochastic programs
- quasi newton
- convergence speed
- parameter space
- graphical models
- evolutionary algorithm