MENO用矩阵指数方法高效求解刚性微分方程,适合复杂热化学系统实时仿真。
MENO: Hybrid Matrix Exponential-based Neural Operator for Stiff ODEs. Application to Thermochemical Kinetics
- 将系统分解为非线性与线性部分,分别用神经算子和可学习矩阵指数建模
- 在零维场景下相对误差低于2%,多维外推仍保持高精度
- 比传统求解器快4800倍(GPU)和185倍(CPU),适合实时应用
我们提出MENO(基于矩阵指数的神经算子),一种混合代理建模框架,用于高效求解具有稀疏非线性结构的刚性常微分方程组。此类系统中仅有少数变量呈现非线性动态,其余变量线性影响方程。MENO通过将系统分解为两部分:低维非线性部分由传统神经算子建模,线性时变子系统则采用新颖的神经矩阵指数公式求解。该方法结合了线性时不变系统的精确解与可学习的时间相关图校正,作用于线性算子。与黑箱或软约束物理信息模型不同,MENO直接将控制方程嵌入架构,确保物理一致性(如稳态)、更强鲁棒性及更高效训练。我们在三个复杂热化学系统上验证:POLLU大气化学模型、热化学非平衡氧混合物,以及一维与二维激波管中的碰撞辐射氩等离子体。MENO在训练过的零维设置中相对误差低于2%,且在外推至多维情形时仍保持良好精度。计算速度显著提升,相比标准隐式求解器,在GPU上达4800倍加速,在CPU上达185倍。尽管设计上具有侵入性,其基于物理的架构实现了优异泛化能力与可靠性,为刚性反应系统的实时模拟提供可扩展路径。
原文摘要 · Abstract (English)
We introduce MENO (''Matrix Exponential-based Neural Operator''), a hybrid surrogate modeling framework for efficiently solving stiff systems of ordinary differential equations (ODEs) that exhibit a sparse nonlinear structure. In such systems, only a few variables contribute nonlinearly to the dynamics, while the majority influence the equations linearly. MENO exploits this property by decomposing the system into two components: the low-dimensional nonlinear part is modeled using conventional neural operators, while the linear time-varying subsystem is integrated using a novel neural matrix exponential formulation. This approach combines the exact solution of linear time-invariant systems with learnable, time-dependent graph-based corrections applied to the linear operators. Unlike black-box or soft-constrained physics-informed (PI) models, MENO embeds the governing equations directly into its architecture, ensuring physical consistency (e.g., steady states), improved robustness, and more efficient training. We validate MENO on three complex thermochemical systems: the POLLU atmospheric chemistry model, an oxygen mixture in thermochemical nonequilibrium, and a collisional-radiative argon plasma in one- and two-dimensional shock-tube simulations. MENO achieves relative errors below 2% in trained zero-dimensional settings and maintains good accuracy in extrapolatory multidimensional regimes. It also delivers substantial computational speedups, achieving up to 4 800$\times$ on GPU and 185$\times$ on CPU compared to standard implicit ODE solvers. Although intrusive by design, MENO's physics-based architecture enables superior generalization and reliability, offering a scalable path for real-time simulation of stiff reactive systems.
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