Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects.
Olga GoryninaFrédéric LegollTony LelièvreDanny PerezPublished in: CoRR (2022)
Keyphrases
- detection algorithm
- theoretical analysis
- experimental evaluation
- dynamic programming
- objective function
- matching algorithm
- computational complexity
- times faster
- preprocessing
- np hard
- computational cost
- expectation maximization
- anisotropic diffusion
- recognition algorithm
- clustering method
- linear programming
- high accuracy
- significant improvement
- k means
- hidden markov models
- optimization algorithm
- data structure
- optimal solution
- neural network
- selection algorithm
- data sets