BELM: Bidirectional Explicit Linear Multi-step Sampler for Exact Inversion in Diffusion Models

The inversion of diffusion model sampling, which aims to find the corresponding initial noise of a sample, plays a critical role in various tasks. Recently, several heuristic exact inversion samplers have been proposed to address the inexact inversion issue in a training-free manner. However, the theoretical properties of these heuristic samplers remain unknown and they often exhibit mediocre sampling quality. In this paper, we introduce a generic formulation, \emph{Bidirectional Explicit Linear Multi-step} (BELM) samplers, of the exact inversion samplers, which includes all previously proposed heuristic exact inversion samplers as special cases. The BELM formulation is derived from the variable-stepsize-variable-formula linear multi-step method via integrating a bidirectional explicit constraint. We highlight this bidirectional explicit constraint is the key of mathematically exact inversion. We systematically investigate the Local Truncation Error (LTE) within the BELM framework and show that the existing heuristic designs of exact inversion samplers yield sub-optimal LTE. Consequently, we propose the Optimal BELM (O-BELM) sampler through the LTE minimization approach. We conduct additional analysis to substantiate the theoretical stability and global convergence property of the proposed optimal sampler. Comprehensive experiments demonstrate our O-BELM sampler establishes the exact inversion property while achieving high-quality sampling. Additional experiments in image editing and image interpolation highlight the extensive potential of applying O-BELM in varying applications.

Tackling the Singularities at the Endpoints of Time Intervals in Diffusion Models

Most diffusion models assume that the reverse process adheres to a Gaussian distribution. However, this approximation has not been rigorously validated, especially at singularities, where t=0 and t=1. Improperly dealing with such singularities leads to an average brightness issue in applications, and limits the generation of images with extreme brightness or darkness. We primarily focus on tackling singularities from both theoretical and practical perspectives. Initially, we establish the error bounds for the reverse process approximation, and showcase its Gaussian characteristics at singularity time steps. Based on this theoretical insight, we confirm the singularity at t=1 is conditionally removable while it at t=0 is an inherent property. Upon these significant conclusions, we propose a novel plug-and-play method SingDiffusion to address the initial singular time step sampling, which not only effectively resolves the average brightness issue for a wide range of diffusion models without extra training efforts, but also enhances their generation capability in achieving notable lower FID scores.

Formulating Discrete Probability Flow Through Optimal Transport

Continuous diffusion models are commonly acknowledged to display a deterministic probability flow, whereas discrete diffusion models do not. In this paper, we aim to establish the fundamental theory for the probability flow of discrete diffusion models. Specifically, we first prove that the continuous probability flow is the Monge optimal transport map under certain conditions, and also present an equivalent evidence for discrete cases. In view of these findings, we are then able to define the discrete probability flow in line with the principles of optimal transport. Finally, drawing upon our newly established definitions, we propose a novel sampling method that surpasses previous discrete diffusion models in its ability to generate more certain outcomes. Extensive experiments on the synthetic toy dataset and the CIFAR-10 dataset have validated the effectiveness of our proposed discrete probability flow. Code is released at: https://github.com/PangzeCheung/Discrete-Probability-Flow.