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Abstract 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. 

For many decades now, Bayesian Model Averaging (BMA) has been a popular framework to systematically account for model uncertainty that arises in situations when multiple competing models are available to describe the same or similar physical process. The implementation of this framework, however, comes with a multitude of practical challenges including posterior approximation via Markov chain Monte Carlo and numerical integration. We present a Variational Bayesian Inference approach to BMA as a viable alternative to the standard solutions which avoids many of the aforementioned pitfalls. The proposed method is “black box” in the sense that it can be readily applied to many models with little to no model-specific derivation. We illustrate the utility of our variational approach on a suite of examples and discuss all the necessary implementation details. Fully documented Python code with all the examples is provided as well.