A Primer on Bayesian Parameter Estimation and Model Selection for Battery Simulators

Physics-based battery modelling has emerged to accelerate battery materials discovery and performance assessment. Its success, however, is still hindered by difficulties in aligning models to experimental data. Bayesian approaches are a valuable tool to overcome these challenges, since they enable prior assumptions and observations to be combined in a principled manner that improves numerical conditioning. Here we introduce two new algorithms to the battery community, SOBER and BASQ, that greatly speed up Bayesian inference for parameterisation and model comparison. We showcase how Bayesian model selection allows us to tackle data observability, model identifiability, and data-informed model development together. We propose this approach for the search for battery models of novel materials.