Toward Automated Free Energy Calculation with Accelerated Enveloping Distribution Sampling (A-EDS).
Jan Walther PertholdDrazen PetrovChris OostenbrinkPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- free energy
- upper bound
- posterior distribution
- probability distribution
- random sampling
- competitive learning
- belief propagation
- sample size
- fixed point
- higher order
- markov chain monte carlo
- approximate inference
- random variables
- three dimensional
- gaussian distribution
- information theoretic
- maximum likelihood
- multi view
- training set
- lower bound