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Adaptive Correction for Ensuring Conservation Laws in Neural Operators

Chaoyu Liu, Yangming Li, Zhongying Deng, Chris Budd, Carola-Bibiane Schönlieb

TL;DR

This work proposes a novel plug-and-play adaptive correction approach to ensure the conservation of fundamental linear and quadratic quantities for neural operator outputs and introduces a lightweight learnable operator to adaptively enforce the target conservation law during training.

Abstract

Physical laws, such as the conversation of mass and momentum, are fundamental principles in many physical systems. Neural operators have achieved promising performance in learning the solutions to those systems, but often fail to ensure conservation. Existing methods typically enforce strict conservation via hand-crafted post-processing or architectural constraints, leading to limited model flexibility and adaptability. In this work, we propose a novel plug-and-play adaptive correction approach to ensure the conservation of fundamental linear and quadratic quantities for neural operator outputs. Our method introduces a lightweight learnable operator to adaptively enforce the target conservation law during training. This method allows the model to flexibly and adaptively correct its output to guarantee strict conservation. We provide a theoretical result showing that our correction method does not hamper the expression ability of neural operators and can potentially achieve lower reconstruction loss than their conservation-constrained counterparts. Our method is evaluated across multiple neural operator architectures and representative PDEs. Extensive experiments show that incorporating our correction method into baseline models significantly improves both accuracy and stability. In addition, the experimental results demonstrate that our approach consistently achieves superior performance over widely used conservation-enforcement techniques on various PDE benchmarks.

Adaptive Correction for Ensuring Conservation Laws in Neural Operators

TL;DR

This work proposes a novel plug-and-play adaptive correction approach to ensure the conservation of fundamental linear and quadratic quantities for neural operator outputs and introduces a lightweight learnable operator to adaptively enforce the target conservation law during training.

Abstract

Physical laws, such as the conversation of mass and momentum, are fundamental principles in many physical systems. Neural operators have achieved promising performance in learning the solutions to those systems, but often fail to ensure conservation. Existing methods typically enforce strict conservation via hand-crafted post-processing or architectural constraints, leading to limited model flexibility and adaptability. In this work, we propose a novel plug-and-play adaptive correction approach to ensure the conservation of fundamental linear and quadratic quantities for neural operator outputs. Our method introduces a lightweight learnable operator to adaptively enforce the target conservation law during training. This method allows the model to flexibly and adaptively correct its output to guarantee strict conservation. We provide a theoretical result showing that our correction method does not hamper the expression ability of neural operators and can potentially achieve lower reconstruction loss than their conservation-constrained counterparts. Our method is evaluated across multiple neural operator architectures and representative PDEs. Extensive experiments show that incorporating our correction method into baseline models significantly improves both accuracy and stability. In addition, the experimental results demonstrate that our approach consistently achieves superior performance over widely used conservation-enforcement techniques on various PDE benchmarks.

Paper Structure

This paper contains 29 sections, 1 theorem, 32 equations, 8 figures, 6 tables.

Key Result

Theorem 3.1

Define the following loss functions: Let $\mathcal{N}_F^\theta$ be the original neural operator, and $\mathcal{N}_A^\theta$ be the neural operator with our proposed adaptive correction. Define: We have

Figures (8)

  • Figure 1: Solution dynamics of the linear Schrödinger equation obtained with the baseline FNO and our proposed method over time, starting from $t=0$ (solid light blue line). $\Delta t$ denotes the prediction time interval. Left: FNO. Right: FNO with our method.
  • Figure 2: Predictions for the nonlinear Schrödinger equation. Top: FNO. Bottom: FNO with our method. Left: one-step prediction at $t=\Delta t$ (both methods show small error). Right: ten-step prediction at $t=10\Delta t$ (FNO's error is amplified; our method remains stable). $\Delta t$ denotes the prediction time interval.
  • Figure 3: Visualization for the conservative Allen Cahn equation at $T=2$. (a): initial condition (b): FNO (c): FNO with adaptive correction (d): ground truth
  • Figure 4: Visualization for the shallow water equation at $T=0.03$. (a) Initial condition; (b) FNO prediction; (c) FNO with adaptive correction; (d) Ground truth.
  • Figure 5: Visualization of the density $\rho$ for compressible Navier-Stokes equation at $T=0.5$. (a) Initial condition; (b) FNO prediction; (c) FNO with adaptive correction; (d) Ground truth.
  • ...and 3 more figures

Theorems & Definitions (2)

  • Theorem 3.1
  • Remark 3.2