Unbiased Diffusion Variational Inversion via Principled Posterior Matching
Authors: Weimin Bai, Yuxuan Gu, Yifei Wang, Weijian Luo, He Sun
Organizations: Peking University
Abstract
Existing score-based methods for inverse problems often resort to approximate minimization of the KL divergence between the inversion distribution and the Bayesian posterior. Such an approximation leads to severe mode collapse and unreliable uncertainty quantification. In this paper, we propose Principled Posterior Matching (PPM), a framework that returns to the fundamentals of variational inference, rather than using tricky approximations. Instead of relying on heuristic approximations, we rigorously formulate the exact optimization of the KL divergence via the integration of Fisher divergence. We derive a tractable, equivalent gradient form of this integral, enabling precise optimization without the biases introduced by prior approximations. Our analysis clearly reveals that the mode collapse in previous methods stems directly from this approximation gap. Supported by our theoretical solution, PPM unifies two complementary paradigms: (1) In variational inference, PPM adopts mass-covering divergences that significantly improve the inversion diversity and uncertainty quantification; (2) In amortized inference, it enables the training of an efficient reconstruction network for rapid, single-step reconstruction. Furthermore, our formulation naturally extends to a broader family of divergence measures by generalizing the integral of the Fisher divergence. We validate PPM across challenging computational imaging tasks, including inpainting, super-resolution fluorescent microscopy, and radio interferometric black-hole imaging. In all experiments, PPM achieves superior reconstruction fidelity, faithful multimodal posterior recovery, and well-calibrated uncertainty estimates, establishing a robust framework for scientific imaging.
Pretrained diffusion models represent image distributions through a continuum of progressively smoothed distributions. This multiscale structure organizes generation from global structure to fine detail and supports high-quality, diverse samples. We exploit the same multiscale diffusion prior for linear imaging inverse problems. Rather than using the pretrained model only as a denoiser in an outer iteration, we define a surrogate likelihood whose center is aligned with the clean-image coordinate and whose covariance accounts for residual diffusion uncertainty. This construction defines an explicit surrogate posterior path, from which we derive continuous posterior dynamics. A tunable Langevin component supports target tracking and allows the amount of posterior exploration to be adapted to the application. We prove endpoint consistency and a finite-horizon tracking bound and, in the exact-score setting, first-order weak accuracy. For computation, we derive the Posterior-Dynamics Implicit--Explicit sampler (PD-IMEX), a stable method using one score evaluation per diffusion scale and an implicit data-consistency update. Experiments on deblurring, super-resolution, and inpainting show strong reconstruction quality at 100 score evaluations, coarse-grid stability, and controllable fidelity--diversity behavior.
From a Bayesian perspective, score-based diffusion solves inverse problems through joint inference, embedding the likelihood with the prior to guide the sampling process. However, this formulation fails to explain its practical behavior: the prior offers limited guidance, while reconstruction is largely driven by the measurement-consistency term, leading to an inference process that is effectively decoupled from the diffusion dynamics. We show that the diffusion prior in these solvers functions primarily as a warm initializer that places estimates near the data manifold, while reconstruction is driven almost entirely by measurement consistency. Based on this observation, we introduce \textbf{DAPS++}, which fully decouples diffusion-based initialization from likelihood-driven refinement, allowing the likelihood term to guide inference more directly while maintaining numerical stability and providing insight into why unified diffusion trajectories remain effective in practice. By requiring fewer function evaluations (NFEs) and measurement-optimization steps, \textbf{DAPS++} achieves high computational efficiency and robust reconstruction performance across diverse image restoration tasks.
Diffusion-based methods have achieved remarkable empirical success in solving inverse problems. However, many existing posterior samplers either lack rigorous theoretical guarantees or incur substantial computational overhead. We propose a simple and efficient algorithm, called \pddim, for solving linear inverse problems with diffusion priors via a DDIM-type sampler. Our method requires only lightweight, coordinate-wise modifications to the standard DDIM update, while explicitly incorporating the measurement model. The key idea is to perform posterior sampling separately along each singular direction of the measurement operator: for each direction, the sampler follows the learned diffusion prior when the observation signal-to-noise ratio (SNR) is below the corresponding diffusion SNR, and switches to a calibrated measurement-based predictor otherwise. We prove that the proposed sampler converges to the Bayesian posterior conditioned on the measurements. Empirical results show that the proposed sampler performs favorably against existing diffusion-based posterior samplers across a range of image restoration tasks, achieving the best performance on the majority of evaluation metrics considered. Overall, our results convert posterior sampling for noisy linear inverse problems to simple coordinate-wise DDIM updates, yielding an efficient, easy-to-implement algorithm with provable posterior consistency.