HJ-采样器:利用汉密尔顿-雅可比 PDE 和基于分数的生成模型解决随机过程逆问题的贝叶斯采样器

Tingwei Meng, Zongren Zou, Jérôme Darbon, George Em Karniadakis
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摘要

文献中对随机过程与最优控制之间的相互作用进行了广泛的探讨。随着最近扩散模型使用的激增,随机过程越来越多地被应用于样本生成。本文以对数变换(在布朗运动中称为 Cole-Hopft 变换)为基础,在包含线性算子的更抽象框架内对其进行了扩展。在这一框架内,我们发现科尔-霍普夫变换与最优传输之间的著名关系是线性算子充当随机过程无限小生成器的一个特殊实例。我们还介绍了一种新颖的情况,即线性算子是生成器的邻接,在特定的初始和终端条件下与贝叶斯推理相联系。利用这一理论基础,我们开发了一种新算法,命名为 HJ-取样器,用于给定终端观测值的随机微分方程逆问题的贝叶斯推断。HJ 采样器包括两个阶段:(1)求解粘性汉密尔顿-雅可比偏微分方程;(2)从相关的随机最优控制问题中采样。我们提出的算法自然允许灵活选择粘性 HJ 偏微分方程的数值求解器。我们介绍了求解器的两种变体:基于里卡提方法的里卡提-HJ 采样器和利用扩散模型的 SGM-HJ 采样器。我们将所提出的方法应用于解决涉及各种随机过程和先验分布的贝叶斯逆问题,包括解决模型错误规范和量化模型不确定性的应用,从而证明了这些方法的有效性和灵活性。
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HJ-sampler: A Bayesian sampler for inverse problems of a stochastic process by leveraging Hamilton-Jacobi PDEs and score-based generative models
The interplay between stochastic processes and optimal control has been extensively explored in the literature. With the recent surge in the use of diffusion models, stochastic processes have increasingly been applied to sample generation. This paper builds on the log transform, known as the Cole-Hopf transform in Brownian motion contexts, and extends it within a more abstract framework that includes a linear operator. Within this framework, we found that the well-known relationship between the Cole-Hopf transform and optimal transport is a particular instance where the linear operator acts as the infinitesimal generator of a stochastic process. We also introduce a novel scenario where the linear operator is the adjoint of the generator, linking to Bayesian inference under specific initial and terminal conditions. Leveraging this theoretical foundation, we develop a new algorithm, named the HJ-sampler, for Bayesian inference for the inverse problem of a stochastic differential equation with given terminal observations. The HJ-sampler involves two stages: (1) solving the viscous Hamilton-Jacobi partial differential equations, and (2) sampling from the associated stochastic optimal control problem. Our proposed algorithm naturally allows for flexibility in selecting the numerical solver for viscous HJ PDEs. We introduce two variants of the solver: the Riccati-HJ-sampler, based on the Riccati method, and the SGM-HJ-sampler, which utilizes diffusion models. We demonstrate the effectiveness and flexibility of the proposed methods by applying them to solve Bayesian inverse problems involving various stochastic processes and prior distributions, including applications that address model misspecifications and quantifying model uncertainty.
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