Bayesian-Inference-Driven Model Parametrization and Model Selection for 2CLJQ Fluid Models.
Owen MadinSimon BoothroydRichard A. MesserlyJosh FassJohn D. ChoderaMichael R. ShirtsPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- model selection
- bayesian inference
- probabilistic model
- hyperparameters
- parameter estimation
- statistical inference
- selection criterion
- gibbs sampler
- variational inference
- prior information
- bayesian model
- information criterion
- bayesian methods
- bayesian learning
- statistical models
- posterior distribution
- prior knowledge
- cross validation
- hidden variables
- bayesian models
- machine learning
- closed form
- statistical model
- automatic model selection
- variational bayes
- bayesian information criterion
- gaussian processes
- regression model
- statistical learning
- bayesian framework
- sample size
- objective function
- learning algorithm