The development of score-based diffusion models is deeply rooted in the theory of stochastic processes.

Score-based diffusion models have achieved remarkable empirical success in generating high-quality samples from target data distributions. Among them, the Denoising Diffusion Probabilistic Model (DDPM) is one of the most widely used samplers, generating samples via estimated score functions. Despite its empirical success, a tight theoretical understanding of DDPM -- especially its convergence properties -- remains limited. In this paper, we provide a refined convergence analysis of the DDPM sampler and establish near-optimal convergence rates under general distributional assumptions. Specifically, we introduce a relaxed smoothness condition parameterized by a constant $L$, which is small for many practical distributions (e.g., Gaussian mixture models). We prove that the DDPM sampler with accurate score estimates achieves a convergence rate of $$\widetilde{O}\left(\frac{d\min\{d,L^2\}}{T^2}\right)~\text{in Kullback-Leibler divergence},$$ where $d$ is the data dimension, $T$ is the number of iterations, and $\widetilde{O}$ hides polylogarithmic factors in $T$. This result substantially improves upon the best-known $d^2/T^2$ rate when $L < \sqrt{d}$. By establishing a matching lower bound, we show that our convergence analysis is tight for a wide array of target distributions. Moreover, it reveals that DDPM and DDIM share the same dependence on $d$, raising an interesting question of why DDIM often appears empirically faster.

This paper investigates how diffusion generative models leverage (unknown) low-dimensional structure to accelerate sampling. Focusing on two mainstream samplers -- the denoising diffusion implicit model (DDIM) and the denoising diffusion probabilistic model (DDPM) -- and assuming accurate score estimates, we prove that their iteration complexities are no greater than the order of $k/\varepsilon$ (up to some log factor), where $\varepsilon$ is the precision in total variation distance and $k$ is some intrinsic dimension of the target distribution. Our results are applicable to a broad family of target distributions without requiring smoothness or log-concavity assumptions. Further, we develop a lower bound that suggests the (near) necessity of the coefficients introduced by Ho et al.(2020) and Song et al.(2020) in facilitating low-dimensional adaptation. Our findings provide the first rigorous evidence for the adaptivity of the DDIM-type samplers to unknown low-dimensional structure, and improve over the state-of-the-art DDPM theory regarding total variation convergence.

The denoising diffusion probabilistic model (DDPM) has emerged as a mainstream generative model in generative AI. While sharp convergence guarantees have been established for the DDPM, the iteration complexity is, in general, proportional to the ambient data dimension, resulting in overly conservative theory that fails to explain its practical efficiency. This has motivated the recent work Li and Yan (2024a) to investigate how the DDPM can achieve sampling speed-ups through automatic exploitation of intrinsic low dimensionality of data. We strengthen this line of work by demonstrating, in some sense, optimal adaptivity to unknown low dimensionality. For a broad class of data distributions with intrinsic dimension $k$, we prove that the iteration complexity of the DDPM scales nearly linearly with $k$, which is optimal when using KL divergence to measure distributional discrepancy. Notably, our work is closely aligned with the independent concurrent work Potaptchik et al. (2024) -- posted two weeks prior to ours -- in establishing nearly linear-$k$ convergence guarantees for the DDPM.

This paper investigates score-based diffusion models when the underlying target distribution is concentrated on or near low-dimensional manifolds within the higher-dimensional space in which they formally reside, a common characteristic of natural image distributions. Despite previous efforts to understand the data generation process of diffusion models, existing theoretical support remains highly suboptimal in the presence of low-dimensional structure, which we strengthen in this paper. For the popular Denoising Diffusion Probabilistic Model (DDPM), we find that the dependency of the error incurred within each denoising step on the ambient dimension $d$ is in general unavoidable. We further identify a unique design of coefficients that yields a converges rate at the order of $O(k^{2}/\sqrt{T})$ (up to log factors), where $k$ is the intrinsic dimension of the target distribution and $T$ is the number of steps. This represents the first theoretical demonstration that the DDPM sampler can adapt to unknown low-dimensional structures in the target distribution, highlighting the critical importance of coefficient design. All of this is achieved by a novel set of analysis tools that characterize the algorithmic dynamics in a more deterministic manner.

Diffusion models benefit from instillation of task-specific information into the score function to steer the sample generation towards desired properties. Such information is coined as guidance. For example, in text-to-image synthesis, text input is encoded as guidance to generate semantically aligned images. Proper guidance inputs are closely tied to the performance of diffusion models. A common observation is that strong guidance promotes a tight alignment to the task-specific information, while reducing the diversity of the generated samples. In this paper, we provide the first theoretical study towards understanding the influence of guidance on diffusion models in the context of Gaussian mixture models. Under mild conditions, we prove that incorporating diffusion guidance not only boosts classification confidence but also diminishes distribution diversity, leading to a reduction in the differential entropy of the output distribution. Our analysis covers the widely adopted sampling schemes including DDPM and DDIM, and leverages comparison inequalities for differential equations as well as the Fokker-Planck equation that characterizes the evolution of probability density function, which may be of independent theoretical interest.

In this study, we propose Shortcut Fine-Tuning (SFT), a new approach for addressing the challenge of fast sampling of pretrained Denoising Diffusion Probabilistic Models (DDPMs). SFT advocates for the fine-tuning of DDPM samplers through the direct minimization of Integral Probability Metrics (IPM), instead of learning the backward diffusion process. This enables samplers to discover an alternative and more efficient sampling shortcut, deviating from the backward diffusion process. Inspired by a control perspective, we propose a new algorithm SFT-PG: Shortcut Fine-Tuning with Policy Gradient, and prove that under certain assumptions, gradient descent of diffusion models with respect to IPM is equivalent to performing policy gradient. To our best knowledge, this is the first attempt to utilize reinforcement learning (RL) methods to train diffusion models. Through empirical evaluation, we demonstrate that our fine-tuning method can further enhance existing fast DDPM samplers, resulting in sample quality comparable to or even surpassing that of the full-step model across various datasets.