用神经伽辽金流模型高效逼近扩散过程的转移概率密度。
Neural Galerkin Normalizing Flow for Transition Probability Density Functions of Diffusion Models
- 以参考随机过程为基,通过可逆变换求解福克-普朗克方程。
- 离线训练后在线评估效率远高于直接求解偏微分方程。
- 适合高维随机微分方程的多查询任务,如贝叶斯推断与桥接生成。
我们提出一种新的神经伽辽金归一化流框架,通过求解具有原子初始分布的扩散过程对应的福克-普朗克方程,参数化地逼近其转移概率密度函数。利用归一化流,将解表示为参考随机过程转移概率密度的变换,确保近似解保持结构特性,并自动满足非负性和质量守恒约束。通过将神经伽辽金方法拓展至归一化流框架,推导出归一化流参数随时间演化的常微分方程系统。采用自适应采样策略在关键位置评估福克-普朗克残差,有效应对高维偏微分方程问题。数值结果表明,该方法能捕捉真实解的关键特征,并保持初始条件与后续时刻密度之间的因果关系。完成离线训练后,在线评估成本显著低于从头求解偏微分方程。所提方法作为高效的代理模型,适用于与随机微分方程相关的多查询场景,如贝叶斯推断、模拟及扩散桥生成。
原文摘要 · Abstract (English)
We propose a new Neural Galerkin Normalizing Flow framework to approximate the transition probability density function of a diffusion process by solving the corresponding Fokker-Planck equation with an atomic initial distribution, parametrically with respect to the location of the initial mass. By using Normalizing Flows, we look for the solution as a transformation of the transition probability density function of a reference stochastic process, ensuring that our approximation is structure-preserving and automatically satisfies positivity and mass conservation constraints. By extending Neural Galerkin schemes to the context of Normalizing Flows, we derive a system of ODEs for the time evolution of the Normalizing Flow's parameters. Adaptive sampling routines are used to evaluate the Fokker-Planck residual in meaningful locations, which is of vital importance to address high-dimensional PDEs. Numerical results show that this strategy captures key features of the true solution and enforces the causal relationship between the initial datum and the density function at subsequent times. After completing an offline training phase, online evaluation becomes significantly more cost-effective than solving the PDE from scratch. The proposed method serves as a promising surrogate model, which could be deployed in many-query problems associated with stochastic differential equations, like Bayesian inference, simulation, and diffusion bridge generation.
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