Bayesian inverse problems arise in various scientific and engineering domains, and solving them can be computationally demanding. This is especially the case for problems governed by partial differential equations, where the repeated evaluation of the forward operator is extremely expensive. Recent advances in Deep Learning (DL)-based surrogate models have shown promising potential to accelerate the solution of such problems. However, despite their ability to learn from complex data, DL-based surrogate models generally cannot match the accuracy of high-fidelity numerical models, which limits their practical applicability. We propose a novel hybrid two-level Markov Chain Monte Carlo (MCMC) method that combines the strengths of DL-based surrogate models and high-fidelity numerical solvers to {compute the posterior mean of Quantities of Interest (QoI) in} Bayesian inverse problems governed by partial differential equations. The intuition is to leverage the evaluation speed of a DL-based surrogate model as the base chain, and correct its errors using a limited number of high-fidelity numerical model evaluations in a correction chain; hence its name hybrid two-level MCMC method. Through a detailed theoretical analysis, we show that our approach can achieve the same accuracy as a pure numerical MCMC method while requiring only a small fraction of the computational cost. The theoretical analysis is further supported by several numerical experiments, namely a Poisson, a non-linear reaction-diffusion, and a Navier-Stokes equation. The proposed hybrid framework can be generalized to other approaches such as the ensemble Kalman filter and sequential Monte Carlo methods.
翻译:贝叶斯反问题广泛存在于科学与工程领域,其求解过程通常计算量巨大。对于由偏微分方程控制的问题尤为如此,其中前向算子的重复评估成本极高。近年来,基于深度学习(DL)的代理模型研究取得了显著进展,为加速此类问题的求解展现了巨大潜力。然而,尽管深度学习代理模型具备从复杂数据中学习的能力,但其精度通常无法与高保真数值模型相匹配,这限制了其实际应用范围。本文提出一种新颖的混合双层马尔可夫链蒙特卡洛(MCMC)方法,该方法结合了基于深度学习的代理模型与高保真数值求解器的优势,用于计算偏微分方程控制的贝叶斯反问题中感兴趣量(QoI)的后验均值。其核心思想是利用深度学习代理模型的快速评估能力作为基础链,并通过校正链中有限次数的高保真数值模型评估来修正其误差,故命名为混合双层MCMC方法。通过详细的理论分析,我们证明该方法能够达到与纯数值MCMC方法相同的精度,而仅需其计算成本的一小部分。理论分析进一步得到了多个数值实验的支持,包括泊松方程、非线性反应-扩散方程以及纳维-斯托克斯方程。所提出的混合框架可推广至其他方法,如集成卡尔曼滤波与序列蒙特卡洛方法。