Optimal search methods for selecting distributed species in Gillespie-based kinetic Monte Carlo.
Alessandro D. TrigilioYoshi W. MarienMariya V. EdelevaPaul H. M. van SteenbergeDagmar R. D'HoogePublished in: Comput. Chem. Eng. (2022)
Keyphrases
- heuristic function
- monte carlo
- search methods
- search algorithm
- exhaustive search
- optimal strategy
- markov chain
- monte carlo simulation
- importance sampling
- search strategies
- metaheuristic
- markovian decision
- adaptive sampling
- monte carlo methods
- temporal difference
- monte carlo tree search
- confidence intervals
- particle filter
- unconstrained optimization
- dynamic programming
- optimal solution
- worst case
- game tree search
- feature space
- point processes
- learning algorithm