Maximum Likelihood on the Joint (Data, Condition) Distribution for Solving Ill-Posed Problems with Conditional Flow Models

This study presents a conditional flow matching framework for solving physics-constrained Bayesian inverse problems. In this setting, samples from the joint distribution of inferred variables and measurements are assumed available, while explicit evaluation of the prior and likelihood densities is not required. We derive a simple and self-contained formulation of both the unconditional and conditional flow matching algorithms, tailored specifically to inverse problems. In the conditional setting, a neural network is trained to learn the velocity field of a probability flow ordinary differential equation that transports samples from a chosen source distribution directly to the posterior distribution conditioned on observed measurements. This black-box formulation accommodates nonlinear, high-dimensional, and potentially non-differentiable forward models without restrictive assumptions on the noise model. We further analyze the behavior of the learned velocity field in the regime of finite training data. Under mild architectural assumptions, we show that overtraining can induce degenerate behavior in the generated conditional distributions, including variance collapse and a phenomenon termed selective memorization, wherein generated samples concentrate around training data points associated with similar observations. A simplified theoretical analysis explains this behavior, and numerical experiments confirm it in practice. We demonstrate that standard early-stopping criteria based on monitoring test loss effectively mitigate such degeneracy. The proposed method is evaluated on several physics-based inverse problems. We investigate the impact of different choices of source distributions, including Gaussian and data-informed priors. Across these examples, conditional flow matching accurately captures complex, multimodal posterior distributions while maintaining computational efficiency.

Flow matching methods for imaging inverse problems typically incorporate measurements through network conditioning or guidance during sampling. Neither approach explicitly applies the forward operator within the learned conditional velocity field. We develop a principled measurement-conditional velocity parameterization that does. For a linear interpolation path, we express the optimal velocity through the posterior mean $E[x_1|x_t, y]$ and show that this mean is the unique minimizer of a variational objective with an explicit data-consistency term. The velocity defined by this minimizer provably transports the source distribution to the measurement-conditioned posterior. This result leads to a forward operator-aware velocity field that is trained end-to-end and requires no separate guidance during sampling. Across five imaging tasks, our method achieves leading reconstruction quality with up to $50\times$ fewer network evaluations than competitive flow-based methods. Varying the number of sampling steps also controls the distortion-perception trade-off without retraining.

Flow-based generative models have emerged as powerful priors for solving inverse problems. One option is to directly optimize the initial latent code (noise), such that the flow output solves the inverse problem. However, this requires backpropagating through the entire generative trajectory, incurring high memory costs and numerical instability. We propose MS-Flow, which represents the trajectory as a sequence of intermediate latent states rather than a single initial code. By enforcing the flow dynamics locally and coupling segments through trajectory-matching penalties, MS-Flow alternates between updating intermediate latent states and enforcing consistency with observed data. This reduces memory consumption while improving reconstruction quality. We demonstrate the effectiveness of MS-Flow over existing methods on image recovery and inverse problems, including inpainting, super-resolution, and computed tomography.