Bayesian hyperparameter selection and ground-state-enforcing priors are compared for cluster expansions; standard posteriors rarely reproduce DFT ground states, and cone-restricted priors fix this.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.stat-mech 1years
2025 1verdicts
ACCEPT 1representative citing papers
citing papers explorer
-
Bayesian Prior Construction for Uncertainty Quantification in First-Principles Statistical Mechanics
Bayesian hyperparameter selection and ground-state-enforcing priors are compared for cluster expansions; standard posteriors rarely reproduce DFT ground states, and cone-restricted priors fix this.