PMNO: A novel physics guided multi-step neural operator predictor for partial differential equations

TL;DR

This paper introduces PMNO, a physics-guided multi-step neural operator that enhances long-term prediction and extrapolation of complex physical systems by integrating multi-step data, implicit time-stepping, and causal training.

Contribution

The paper proposes a novel neural operator architecture that improves extrapolation, training efficiency, and resolution-invariance for long-horizon physical system predictions.

Findings

Outperforms existing methods in diverse physical systems

Requires fewer data samples for training

Achieves fast and accurate long-term predictions

Abstract

Neural operators, which aim to approximate mappings between infinite-dimensional function spaces, have been widely applied in the simulation and prediction of physical systems. However, the limited representational capacity of network architectures, combined with their heavy reliance on large-scale data, often hinder effective training and result in poor extrapolation performance. In this paper, inspired by traditional numerical methods, we propose a novel physics guided multi-step neural operator (PMNO) architecture to address these challenges in long-horizon prediction of complex physical systems. Distinct from general operator learning methods, the PMNO framework replaces the single-step input with multi-step historical data in the forward pass and introduces an implicit time-stepping scheme based on the Backward Differentiation Formula (BDF) during backpropagation. This design not only strengthens the model's extrapolation capacity but also facilitates more efficient and stable training with fewer data samples, especially for long-term predictions. Meanwhile, a causal training strategy is employed to circumvent the need for multi-stage training and to ensure efficient end-to-end optimization. The neural operator architecture possesses resolution-invariant properties, enabling the trained model to perform fast extrapolation on arbitrary spatial resolutions. We demonstrate the superior predictive performance of PMNO predictor across a diverse range of physical systems, including 2D linear system, modeling over irregular domain, complex-valued wave dynamics, and reaction-diffusion processes. Depending on the specific problem setting, various neural operator architectures, including FNO, DeepONet, and their variants, can be seamlessly integrated into the PMNO framework.