Enhancing dynamical system modeling through interpretable machine-learning augmentations: a case study in cathodic electrophoretic deposition

Abstract We introduce a comprehensive data-driven framework aimed at enhancing the modeling of physical systems, employing inference techniques and machine-learning enhancements. As a demonstrative application, we pursue the modeling of cathodic electrophoretic deposition, commonly known as e-coating. Our approach illustrates a systematic procedure for enhancing physical models by identifying their limitations through inference on experimental data and introducing adaptable model enhancements to address these shortcomings. We begin by tackling the issue of model parameter identifiability, which reveals aspects of the model that require improvement. To address generalizability, we introduce modifications, which also enhance identifiability. However, these modifications do not fully capture essential experimental behaviors. To overcome this limitation, we incorporate interpretable yet flexible augmentations into the baseline model. These augmentations are parameterized by simple fully-connected neural networks, and we leverage machine-learning tools, particularly neural ordinary differential equations, to learn these augmentations. Our simulations demonstrate that the machine-learning-augmented model more accurately captures observed behaviors and improves predictive accuracy. Nevertheless, we contend that while the model updates offer superior performance and capture the relevant physics, we can reduce off-line computational costs by eliminating certain dynamics without compromising accuracy or interpretability in downstream predictions of quantities of interest, particularly film thickness predictions. The entire process outlined here provides a structured approach to leverage data-driven methods by helping us comprehend the root causes of model inaccuracies and by offering a principled method for enhancing model performance.