Comparative exploration of hydrogen sulfide and water transmembrane free energy surfaces via orthogonal space tempering free energy sampling.
Chao LvErick W. AitchisonDongsheng WuLianqing ZhengXiaolin ChengWei YangPublished in: J. Comput. Chem. (2016)
Keyphrases
- free energy
- markov chain monte carlo
- posterior distribution
- approximate inference
- belief propagation
- bayesian inference
- loopy belief propagation
- parameter estimation
- probability distribution
- graphical models
- restricted boltzmann machine
- upper bound
- parameter space
- latent variables
- fixed point
- competitive learning
- energy minimization
- posterior probability
- exact inference
- maximum a posteriori
- markov chain
- generative model
- hyperparameters
- bayesian framework
- probabilistic inference
- message passing
- conditional random fields
- monte carlo
- graph cuts
- gaussian distribution
- three dimensional
- markov random field
- bayesian networks