Kolmogorov n-Widths for Multitask Physics-Informed Machine Learning (PIML) Methods: Towards Robust Metrics

원문 초록

Physics-informed machine learning (PIML) as a means of solving partial differential equations (PDE) has garnered much attention in the Computational Science and Engineering (CS&E) world. This topic encompasses a broad array of methods and models aimed at solving a single or a collection of PDE problems, called multitask learning. PIML is characterized by the incorporation of physical laws into the training process of machine learning models in lieu of large data when solving PDE problems. Despite the overall success of this collection of methods, it remains incredibly difficult to analyze, benchmark, and generally compare one approach to another. Using Kolmogorov n-widths as a measure of effectiveness of approximating functions, we judiciously apply this metric in the comparison of various multitask PIML architectures. We compute lower accuracy bounds and analyze the model's learned basis functions on various PDE problems. This is the first objective metric for comparing multitask PIML architectures and helps remove uncertainty in model validation from selective sampling and overfitting. We also identify avenues of improvement for model architectures, such as the choice of activation function, which can drastically affect model generalization to "worst-case" scenarios, which is not observed when reporting task-specific errors. We also incorporate this metric into the optimization process through regularization, which improves the models' generalizability over the multitask PDE problem.