When, why, and how do diffusion posterior samplers fail? A finite-sample lens
Authors: Benjamin A. Burns, Sara Fridovich-Keil
Organizations: Georgia Institute of Technology
Abstract
Diffusion models have excellent capacity to model complex distributions of natural data, which has made them a popular and effective choice for posterior sampling in imaging inverse problems. Existing methods can incorporate any measurement model at inference time but must use an inexact approximation for the likelihood at intermediate timesteps for computational tractability. Although these approximations can often work well empirically, their downstream effect on the sampled posterior is poorly understood and can result in unexplained failures. To understand when, why, and how these likelihood approximations propagate to erroneous posterior distributions, we introduce a finite-sample perspective on posterior sampling that approximates the posterior to arbitrary precision as training set size tends towards infinity, for any forward model and prior distribution. Using this finite-sample lens, we observe that popular posterior sampling approximations tend to under- or over-estimate the spread of the posterior at intermediate timesteps, causing downstream consequences including sensitivity to early stopping time, inaccurate relative weighting of posterior modes, and hallucination, both of prior modes that are not in the posterior and likelihood modes that are not supported by the prior. Moreover, we find that the cause of these posterior errors requires neither a nonlinear measurement model nor a multimodal posterior, but can arise solely due to a multimodal prior and inaccurate posterior spread at intermediate sampling times. Our finite-sample posterior sampling approach is agnostic to the type of likelihood approximation and the type of (linear or nonlinear) forward model, and can thus serve as a drop-in diagnostic to evaluate the accuracy and failure modes of existing and future posterior samplers.
Diffusion models provide expressive data-driven priors for Bayesian inverse problems, but many diffusion posterior samplers rely on heuristic guidance approximations that can fail for nonlinear operators and multimodal posteriors. In this work, we develop a stabilized path-space framework for diffusion-based posterior sampling. Starting from a base diffusion process whose terminal marginal represents the prior, we define a likelihood-weighted target measure on trajectories and cast posterior sampling as learning a controlled stochastic process whose path measure matches this target. This formulation connects diffusion posterior sampling to stochastic optimal control while preserving the Bayesian structure needed for uncertainty quantification. We introduce a time reparameterization that makes the path-space control problem well posed by removing the bias induced by the unknown initial value function, without auxiliary training. We then learn the control via a trust-region path-space optimization method with log-variance objectives. The path-space perspective also unifies our learned control approach with existing guidance-based samplers, quantifies the sampling error induced by approximate controls, and yields importance sampling corrections for asymptotically exact posterior expectations. We evaluate the proposed framework on a suite of benchmark inverse problems with analytically characterized or high-quality reference posteriors, enabling principled assessment of sampling accuracy and uncertainty quantification. These experiments provide insight into the behavior of diffusion-based posterior samplers and demonstrate improved accuracy and robustness over leading approaches.
Diffusion-based posterior samplers use pretrained diffusion priors to sample from measurement- or reward-conditioned posteriors, and are widely used for inverse problems. Yet their theoretical behavior remains poorly understood: even with exact prior scores, their outputs are biased, and in low-temperature regimes their discretizations can become unstable. We characterize this bias by introducing a tractable surrogate path connecting the true posterior to a standard Gaussian and comparing it to the sampler's path. Their density ratio satisfies a parabolic PDE whose reaction term measures the accumulated bias. A Feynman-Kac representation then expresses the Radon-Nikodym correction as an explicit path expectation, identifying which posterior regions are over- or under-sampled. We apply this framework to DPS and STSL, a related sampler. For DPS, the correction is an Ornstein-Uhlenbeck path expectation coupling the data conditional covariance with the reward curvature, revealing where DPS over- or under-samples. Next, we reinterpret STSL as an auxiliary drift that steers trajectories toward low-uncertainty regions, flattening the spatially varying part of the DPS reaction term. Finally, we characterize early guidance-stopping, a common mitigation for low-temperature instabilities caused by forward-Euler integration of the vector field. Together, these results clarify sampler bias, explain existing correctives, and guide stable variant designs.
Matias G. Delgadino, Sebastien Motsch, Advait Parulekar +2
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.