Title: Sample-efficient evidence estimation of score based priors for model selection
Primary area: applications to physical sciences (physics, chemistry, biology, etc.)
Keywords: Computational imaging, inverse problems, model selection, posterior sampling, diffusion models

Abstract: The choice of prior is central to solving ill-posed imaging inverse problems, making it essential to select one consistent with the measurements $y$ to avoid severe bias. In Bayesian inverse problems, this could be achieved by evaluating the model evidence $p(y \mid M)$ under different models $M$ that specify the prior and then selecting the one with the highest value. Diffusion models are the state-of-the-art approach to solving inverse problems with a data-driven prior; however, directly computing the model evidence with respect to a diffusion prior is intractable. Furthermore, most existing model evidence estimators require either many pointwise evaluations of the unnormalized prior density or an accurate clean prior score. We propose DiME, an estimator of the model evidence under a diffusion prior by integrating over the time-marginals of posterior sampling methods. Our method leverages the large amount of intermediate samples that are naturally obtained during the reverse diffusion sampling process to obtain an accurate estimation of the model evidence using only a handful of posterior samples (e.g., 20). We demonstrate how to implement our estimator in tandem with recent diffusion posterior sampling methods. Empirically, our estimator matches the model evidence when it can be computed analytically, and it is able to both select the correct diffusion model prior and diagnose prior misfit under different highly ill-conditioned, non-linear inverse problems, including a real-world black hole imaging problem.