Unifying and extending Diffusion Models through PDEs for solving Inverse Problems (2504.07437v2)

Abstract: Diffusion models have emerged as powerful generative tools with applications in computer vision and scientific machine learning (SciML), where they have been used to solve large-scale probabilistic inverse problems. Traditionally, these models have been derived using principles of variational inference, denoising, statistical signal processing, and stochastic differential equations. In contrast to the conventional presentation, in this study we derive diffusion models using ideas from linear partial differential equations and demonstrate that this approach has several benefits that include a constructive derivation of the forward and reverse processes, a unified derivation of multiple formulations and sampling strategies, and the discovery of a new class of variance preserving models. We also apply the conditional version of these models to solve canonical conditional density estimation problems and challenging inverse problems. These problems help establish benchmarks for systematically quantifying the performance of different formulations and sampling strategies in this study and for future studies. Finally, we identify and implement a mechanism through which a single diffusion model can be applied to measurements obtained from multiple measurement operators. Taken together, the contents of this manuscript provide a new understanding of and several new directions in the application of diffusion models to solving physics-based inverse problems.