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Title: Local Bayesian Dirichlet mixing of imperfect models

Journal Article · · Scientific Reports

To improve the predictability of complex computational models in the experimentally-unknown domains, we propose a Bayesian statistical machine learning framework utilizing the Dirichlet distribution that combines results of several imperfect models. This framework can be viewed as an extension of Bayesian stacking. To illustrate the method, we study the ability of Bayesian model averaging and mixing techniques to mine nuclear masses. We show that the global and local mixtures of models reach excellent performance on both prediction accuracy and uncertainty quantification and are preferable to classical Bayesian model averaging. Additionally, our statistical analysis indicates that improving model predictions through mixing rather than mixing of corrected models leads to more robust extrapolations.

Research Organization:
Michigan State Univ., East Lansing, MI (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Nuclear Physics (NP); National Science Foundation (NSF); USDOE
Grant/Contract Number:
SC0023688; SC0013365; 2004601
OSTI ID:
2205360
Alternate ID(s):
OSTI ID: 2217277
Journal Information:
Scientific Reports, Vol. 13, Issue 1; ISSN 2045-2322
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

References (46)

Get on the BAND Wagon: a Bayesian framework for quantifying model uncertainties in nuclear dynamics journal May 2021
Prediction via Orthogonalized Model Mixing journal September 1996
A Bayes Interpretation of Stacking for M-Complete and M-Open Settings journal September 2017
Precision mass measurement of lightweight self-conjugate nucleus 80Zr journal November 2021
Neutron Drip Line in the Ca Region from Bayesian Model Averaging journal February 2019
Probabilistic forecasts, calibration and sharpness journal April 2007
Hartree-Fock-Bogolyubov description of nuclei near the neutron-drip line journal June 1984
Nuclear energy density optimization: Shell structure journal May 2014
Model Mixing Using Bayesian Additive Regression Trees journal September 2023
David Draper and E. I. George, and a rejoinder by the authors journal November 1999
Using Stacking to Average Bayesian Predictive Distributions (with Discussion) journal September 2018
Beyond the proton drip line: Bayesian analysis of proton-emitting nuclei journal January 2020
Quantified limits of the nuclear landscape journal April 2020
The Ame2003 atomic mass evaluation journal December 2003
Interpolating between small- and large- g expansions using Bayesian model mixing journal October 2022
Nuclear energy density optimization journal August 2010
Combining forecasts: A review and annotated bibliography journal January 1989
Learning correlations in nuclear masses using neural networks journal March 2022
Nuclear ground-state masses and deformations: FRDM(2012) journal May 2016
Bayesian Model Averaging: A Systematic Review and Conceptual Classification: BMA: A Systematic Review journal December 2017
Variations on a theme by Skyrme: A systematic study of adjustments of model parameters journal March 2009
Strictly Proper Scoring Rules, Prediction, and Estimation journal March 2007
Nuclear masses learned from a probabilistic neural network journal July 2022
Validating neural-network refinements of nuclear mass models journal January 2018
Bayesian approach to model-based extrapolation of nuclear observables journal September 2018
Bayesian Data Analysis book November 2013
Gaussian Processes for Machine Learning book January 2005
Towards a better parametrisation of Skyrme-like effective forces: A critical study of the SkM force journal September 1982
Comparative study of radial basis function and Bayesian neural network approaches in nuclear mass predictions journal November 2019
Controlling extrapolations of nuclear properties with feature selection journal October 2022
Statistical aspects of nuclear mass models journal July 2020
Bayesian Model Selection and Model Averaging journal March 2000
New Skyrme effective forces for supernovae and neutron rich nuclei journal January 1995
Predicting nuclear masses with the kernel ridge regression journal May 2020
A New Mass Model for Nuclear Astrophysics: Crossing 200 keV Accuracy journal May 2021
Probabilistic programming in Python using PyMC3 journal January 2016
Further explorations of Skyrme-Hartree-Fock-Bogoliubov mass formulas. XIII. The 2012 atomic mass evaluation and the symmetry coefficient journal August 2013
Phenomenological Constraints on the Transport Properties of QCD Matter with Data-Driven Model Averaging journal June 2021
Bayesian averaging for ground state masses of atomic nuclei in a Machine Learning approach journal July 2023
Bayesian Hierarchical Stacking: Some Models Are (Somewhere) Useful journal December 2022
Nuclear binding energy predictions using neural networks: Application of the multilayer perceptron journal March 2021
Machine learning the nuclear mass journal October 2021
Probabilistic Visibility Forecasting Using Bayesian Model Averaging journal May 2011
The AME 2020 atomic mass evaluation (II). Tables, graphs and references* journal March 2021
Bayesian Model Averaging: Theoretical Developments and Practical Applications journal January 2010
Nuclear energy density optimization: Large deformations journal February 2012