将不完整物理模型融入生成模型,实现可解释的动态系统建模。
Variational Grey-Box Dynamics Matching
- 在流匹配框架中构建结构化变分分布,融合物理先验与观测数据。
- 仅用观测轨迹学习动态,无需真实物理参数,避免神经ODE的稳定性问题。
- 适用于一阶与二阶动力学,适合需可解释性的科学建模场景。
深度生成模型如流匹配和扩散模型在学习复杂分布与动力系统方面展现出巨大潜力,但常作为黑箱,忽略底层物理。相反,基于常微分方程(ODE)/偏微分方程(PDE)的物理模拟模型具有可解释性,但可能缺少或未知某些项,无法完全描述真实观测。本文提出一种新型灰盒方法,将不完整的物理模型直接整合进生成模型。该方法仅从观测轨迹中学习动态,无需真实物理参数,以无需仿真方式运行,避免了神经ODE的可扩展性与稳定性问题。核心在于在流匹配框架内构建结构化变分分布,使用两个潜在编码:一个用于建模缺失的随机性和多模态速度,另一个将物理参数作为带有物理信息先验的潜在变量进行编码。此外,我们还拓展该框架处理二阶动力学。在典型ODE/PDE问题及真实气象预测任务上的实验表明,本方法性能达到或优于纯数据驱动方法与先前灰盒基线,同时保持物理模型的可解释性。代码已公开于 https://github.com/DMML-Geneva/VGB-DM。
原文摘要 · Abstract (English)
Deep generative models such as flow matching and diffusion models have shown great potential in learning complex distributions and dynamical systems, but often act as black-boxes, neglecting underlying physics. In contrast, physics-based simulation models described by ODEs/PDEs remain interpretable, but may have missing or unknown terms, unable to fully describe real-world observations. We bridge this gap with a novel grey-box method that integrates incomplete physics models directly into generative models. Our approach learns dynamics from observational trajectories alone, without ground-truth physics parameters, in a simulation-free manner that avoids scalability and stability issues of Neural ODEs. The core of our method lies in modelling a structured variational distribution within the flow matching framework, by using two latent encodings: one to model the missing stochasticity and multi-modal velocity, and a second to encode physics parameters as a latent variable with a physics-informed prior. Furthermore, we present an adaptation of the framework to handle second-order dynamics. Our experiments on representative ODE/PDE problems and real-world weather forecasting demonstrate that our method performs on par with or superior to fully data-driven approaches and previous grey-box baselines, while preserving the interpretability of the physics model. Our code is available at https://github.com/DMML-Geneva/VGB-DM.
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