用线性隐空间实现刚性微分方程实时求解,无需数值积分。
LiLaN: A Linear Latent Network as the Solution Operator for Real-Time Solutions to Stiff Nonlinear Ordinary Differential Equations
- 构建线性隐空间,解可解析求得,彻底避免数值积分。
- 在罗伯森、等离子体等模型上,速度比现有方法快10倍以上。
- 适合需要实时仿真且含多时间尺度的科学计算场景。
求解刚性常微分方程(StODEs)通常需复杂数值求解器,计算成本高。传统显式方法因时间步长受限不适用,而隐式方法代价高昂。现有机器学习方法如Neural ODE难以处理解的时间尺度分离,且推理时仍需昂贵的积分。本文提出线性隐空间网络(LiLaN),其隐空间动力学为线性,可解析求解,完全避免数值积分。核心思想包括:1)两个编码器分别将初值与参数编码为隐空间的斜率和初始值;2)神经网络将物理时间映射至每个隐变量的隐时间;3)解码器将隐空间解还原为物理空间解。我们证明了该方法在紧集上对任意精度ε可逼近任何刚性非线性系统解,且隐空间维数与ε无关。在罗伯森刚性化学动力学模型、等离子体碰撞辐射模型及Allen-Cahn、Cahn-Hilliard PDE上的实验表明,LiLaN在处理刚性常微分与偏微分方程方面显著优于当前最先进方法。
原文摘要 · Abstract (English)
Solving stiff ordinary differential equations (StODEs) requires sophisticated numerical solvers, which are often computationally expensive. In general, traditional explicit time integration schemes with restricted time step sizes are not suitable for StODEs, and one must resort to costly implicit methods. On the other hand, state-of-the-art machine learning based methods, such as Neural ODE, poorly handle the timescale separation of various elements of the solutions to StODEs, while still requiring expensive implicit/explicit integration at inference time. In this work, we propose a linear latent network (LiLaN) approach in which the dynamics in the latent space can be integrated analytically, and thus numerical integration is completely avoided. At the heart of LiLaN are the following key ideas: i) two encoder networks to encode the initial condition together with parameters of the ODE to the slope and the initial condition for the latent dynamics, respectively. Since the latent dynamics, by design, are linear, the solution can be evaluated analytically; ii) a neural network to map the physical time to latent times, one for each latent variable. Finally, iii) a decoder network to decode the latent solution to the physical solution at the corresponding physical time. We provide a universal approximation theorem for the proposed LiLaN approach, showing that it can approximate the solution of any stiff nonlinear system on a compact set to any degree of accuracy epsilon. We also show an interesting fact that the dimension of the latent dynamical system in LiLaN is independent of epsilon. Numerical results on the "Robertson Stiff Chemical Kinetics Model," "Plasma Collisional-Radiative Model," and "Allen-Cahn" and "Cahn-Hilliard" PDEs suggest that LiLaN outperformed state-of-the-art machine learning approaches for handling stiff ordinary and partial differential equations.
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