用高斯马尔可夫场加速物理方程求解,兼顾精度与效率。
Flexible and Efficient Probabilistic PDE Solvers through Gaussian Markov Random Fields
- 利用马尔可夫性质将复杂高斯过程转为稀疏矩阵,大幅降低计算开销。
- 在非线性问题上实现推理速度提升和收敛加速,验证了实际可行性。
- 支持灵活物理先验建模,适合需要不确定性量化的大规模仿真场景。
物理世界机制几乎总是通过偏微分方程(PDE)表达。近年来,概率化PDE求解器兴起——基于高斯过程(GP)先验的贝叶斯模型,能自然融合观测数据与物理规律,天生可量化噪声、参数未知或离散误差带来的不确定性。已有工作建立了与经典求解器的联系并提供理论保证,但大规模应用仍受限于密集协方差矩阵。本文方法利用常见GP先验的马尔可夫性质:这些先验是随机偏微分方程(SPDE)的解,离散后可通过稀疏线性代数实现高效GP回归。我们展示了如何借助此类先验,使概率化PDE求解器在大规模非线性场景下真正实用,显著加速推断。此外,该框架还支持超越传统核函数的灵活、物理意义明确的先验。实验表明,在非线性设定下,所提方法实现显著提速与更快收敛。
原文摘要 · Abstract (English)
Mechanistic knowledge about the physical world is virtually always expressed via partial differential equations (PDEs). Recently, there has been a surge of interest in probabilistic PDE solvers -- Bayesian statistical models mostly based on Gaussian process (GP) priors which seamlessly combine empirical measurements and mechanistic knowledge. As such, they quantify uncertainties arising from e.g. noisy or missing data, unknown PDE parameters or discretization error by design. Prior work has established connections to classical PDE solvers and provided solid theoretical guarantees. However, scaling such methods to large-scale problems remains a fundamental challenge primarily due to dense covariance matrices. Our approach addresses the scalability issues by leveraging the Markov property of many commonly used GP priors. It has been shown that such priors are solutions to stochastic PDEs (SPDEs) which when discretized allow for highly efficient GP regression through sparse linear algebra. In this work, we show how to leverage this prior class to make probabilistic PDE solvers practical, even for large-scale nonlinear PDEs, through greatly accelerated inference mechanisms. Additionally, our approach also allows for flexible and physically meaningful priors beyond what can be modeled with covariance functions. Experiments confirm substantial speedups and accelerated convergence of our physics-informed priors in nonlinear settings.
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