Physics-Constrained Convolutional Recurrent Neural Networks for Solving Spatial-Temporal PDEs With Arbitrary Boundary Conditions

Abstract The inception of physics-constrained or physics-informed machine learning represents a paradigm shift, addressing the challenges associated with data scarcity and enhancing model interpretability. This innovative approach incorporates the fundamental laws of physics as constraints, guiding the training process of machine learning models. In this work, the physics-constrained convolutional recurrent neural network is further extended for solving spatial-temporal partial differential equations with arbitrary boundary conditions. Two notable advancements are introduced: the implementation of boundary conditions as soft constraints through finite difference-based differentiation, and the establishment of an adaptive weighting mechanism for the optimal allocation of weights to various losses. These enhancements significantly augment the network’s ability to manage intricate boundary conditions and expedite the training process. The efficacy of the proposed model is validated through its application to two-dimensional problems in heat transfer, phase transition, and fluid dynamics, which are pivotal in materials modeling. Compared to traditional physics-constrained neural networks, the physics-constrained convolutional recurrent neural network demonstrates a tenfold increase in prediction accuracy within a similar computational budget. Moreover, the model’s exceptional performance in extrapolating solutions for the Burgers’ equation underscores its utility. Consequently, this research establishes the physics-constrained recurrent neural network as a viable surrogate model for sophisticated spatiotemporal PDE systems, particularly beneficial in scenarios plagued by sparse and noisy datasets.