A quantitative study on the approximation error and speed-up of the multi-scale MCMC (Monte Carlo Markov chain) method for molecular dynamics.
Jie LiuQinglin TangJisheng KouDingguo XuTao ZhangShuyu SunPublished in: J. Comput. Phys. (2022)
Keyphrases
- monte carlo
- markov chain
- monte carlo method
- monte carlo simulation
- importance sampling
- transition matrix
- markov chain monte carlo
- approximation error
- multiscale
- prior knowledge
- variance reduction
- parameter estimation
- state space
- transition probabilities
- convergence rate
- maximum likelihood estimation
- posterior distribution
- bayesian inference
- bayesian framework
- markov decision processes
- dynamic programming
- pairwise
- objective function