A micro-macro Markov chain Monte Carlo method for molecular dynamics using reaction coordinate proposals I: direct reconstruction.
Hannes VandecasteeleGiovanni SamaeyPublished in: CoRR (2020)
Keyphrases
- monte carlo method
- markov chain
- molecular dynamics
- monte carlo
- high performance computing
- scientific data
- protein folding
- state space
- genetic algorithm
- image reconstruction
- bayesian learning
- markov chain monte carlo
- machine learning
- posterior distribution
- least squares
- maximum likelihood estimation
- probabilistic model
- reinforcement learning
- bayesian networks