A Bayesian framework for adaptive selection, calibration, and validation of coarse-grained models of atomistic systems.
Kathryn FarrellJ. Tinsley OdenDanial FaghihiPublished in: J. Comput. Phys. (2015)
Keyphrases
- bayesian framework
- coarse grained
- prior knowledge
- fine grained
- generative model
- prior distribution
- posterior probability
- gaussian process
- bayesian formulation
- bayesian methods
- high level
- probability density function
- posterior distribution
- expectation maximization
- maximum a posteriori
- maximum likelihood
- active learning
- natural language