用图神经网络模拟守恒律方程,既快又物理正确。
A Structure-Preserving Graph Neural Solver for Parametric Hyperbolic Conservation Laws

- 将GNN设计为重构-通量算子,保持局部守恒与迎风特性。
- 在超音速流动测试中,长时程推演稳定且精度更高。
- 适合需要快速、可靠模拟的参数化分析与优化任务。
双曲守恒律描述了大量涉及激波、接触间断和复杂波相互作用的输运动力学,对基于深度学习的代理建模带来独特挑战。经典数值方法虽能提供物理解释的解,但计算成本高,限制了其在多查询任务(如参数研究和设计优化)中的应用。现有神经代理模型推理速度快,但常违背偏微分方程内在结构,导致非物理解、推演不稳定和泛化能力差。本文提出一种可解释、结构保持的图神经求解器,融合经典数值原理与图神经网络(GNN)。该网络作为可学习的重构-通量算子,而非黑箱状态更新器,天然保留局部守恒与迎风特性。受任意高阶导数(Arbitrary high-order DERivatives)方法启发,我们将消息传递型GNN重构为高阶时空预测器,实现大时间步长下的保守且稳定的神经更新。在涵盖几何、初/边界条件及流态广泛变化的超音速流动基准测试中,该神经求解器相比强基线代理模型展现出更优的长时程推演稳定性与精度,优于低阶离散化方法,并实现相较于高分辨率模拟的数量级运行加速。
原文摘要 · Abstract (English)
Hyperbolic conservation laws govern a wide range of transport-driven dynamics featuring shocks, contact discontinuities, and complex wave interactions, posing distinct challenges for deep-learning-based surrogate modeling. While classical numerical methods provide robust and physically admissible solutions, their computational cost restricts applicability in many-query tasks such as parametric studies and design optimization. Conversely, existing neural surrogates offer rapid inference but often fail to respect intrinsic PDE structures, leading to non-physical artifacts, rollout instability, and poor generalization. We present an interpretable, structure-preserving graph neural solver that bridges classical numerical principles with graph neural networks (GNNs). The network is designed as a learned reconstruction-and-flux operator rather than a black-box state updater, thereby inherently preserving key properties such as local conservation and upwinding. Inspired by Arbitrary high-order DERivatives schemes, we further recast message-passing GNNs as high-order space-time predictors, enabling conservative and stable neural updates with large time steps. Evaluation is performed on challenging supersonic flow benchmarks spanning broad parametric variations in geometry, initial/boundary conditions, and flow regimes. The neural solver achieves superior long-horizon rollout stability and accuracy compared with strong surrogate baselines, outperforms low-order discretizations, and delivers orders-of-magnitude runtime speedups over high-resolution simulations.
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