Score-based diffusion models for severely ill-posed problems in diffuse optical tomography
Authors: Fabian Schneider, Meghdoot Mozumder, Konstantin Tamarov, Leila Taghizadeh, Tanja Tarvainen, Tapio Helin, Duc-Lam Duong
Organizations: Department of Computational Engineering, School of Engineering Science LUT University, Finland. · Institute of Analysis and Scientific Computing, TU Wien, Austria. · Department of Technical Physics, Faculty of Science, Forestry and Technology, University of Eastern Finland, Finland. · Research Unit of Mathematical Sciences, University of Oulu, Finland.
Score-based diffusion models are a recently developed framework for posterior sampling in Bayesian inverse problems, enabling high-quality reconstructions in inverse problems by leveraging expressive prior distributions learned from empirical data. Despite their strong empirical performance and growing interest within the machine learning community, their behaviour in realistic, severely ill-posed inverse problems with experimental measurement data remains under-explored. Diffuse optical tomography (DOT) is an inverse boundary value problem that uses boundary measurements of near-infrared light to recover spatially varying absorption and scattering parameters in biological tissue. The problem is highly ill-posed and particularly sensitive to both measurement noise and modelling errors. We introduce a regularization strategy by constructing a mixed score consisting of a learned component and a model-based component. We show that the resulting mixed score approximates the score of a corresponding mixture distribution locally and in the small diffusion-time regime, providing a theoretical justification for the approach. We compare four approaches for difference imaging in DOT: a classical model-based method, an approximate score-based diffusion method (DPS), an exact posterior sampling method (UCoS) and a novel, regularized version of UCoS. We show that both the model-based approach and approximate diffusion-based sampling degrade significantly in the presence of limited-view geometry and real experimental data, whereas UCoS yields more accurate reconstructions.
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.
Score-based diffusion models demonstrate superior performance in generative tasks but encounter fundamental bottlenecks in inverse problems due to the analytical intractability of the time-dependent likelihood score. To bridge this gap, we propose a novel proximal-based generative modeling (PGM) framework that rigorously circumvents explicit likelihood evaluation. Our framework is built upon a theoretical equivalence between Gaussian convolution in diffusion processes and Moreau-Yosida regularization in nonsmooth optimization. This enables a new sampling mechanism driven by the proposed Moreau score, which admits a closed-form expression via proximal operators. Moreover, we introduce Moreau score matching to learn the proximal operators that rely solely on samples drawn from the prior distribution. Theoretically, PGM eliminates the early-stopping bias inherent in the score-based diffusion model and achieves non-asymptotic convergence. Experiments demonstrate that PGM significantly surpasses state-of-the-art methods in reconstruction quality and sampling time.
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.