An Analysis of Regularization and Fokker-Planck Residuals in Diffusion Models for Image Generation

Benign overfitting and double descent have come to shape our understanding of generalization in deep learning, establishing that overfitting is not only compatible with good generalization but can actively benefit it. Diffusion models share much of the machinery of standard deep learning, so it is natural to assume that they also exhibit these properties. In this work, we show that this assumption is largely incorrect. We first establish fundamental impossibility results showing that, unless the sample size grows exponentially with the data dimension, overfitting and good generalization cannot occur simultaneously. Consequently, the population loss follows a classical U-shaped curve in model complexity rather than exhibiting double descent. Analyzing a simplified setting, we identify a key difference between regression and score matching: regression benefits from an alignment between the target and the empirical covariance; score matching admits no such alignment, leaving overfitting irreparably harmful. We further identify implicit regularization stemming from time-smoothness of the score and early stopping during training as mechanisms that prevent such overfitting and verify our findings with high-dimensional image generation experiments. Our results reveal that generalization in diffusion models is governed by mechanisms distinct from those of traditional regression, motivating the development of new theory.

We develop a principled framework for analyzing and designing noise schedules in diffusion models. We show that one can recast this design problem as an optimal control problem, whose state is the Fisher information of the diffusion process which evolves according to an ODE and the control input is the noise schedule. The objective of the optimal control problem is a functional involving the Fisher information, which is shown to be an upper bound on the Kullback-Leibler sampling error. By solving this optimal control problem, we obtain sufficient conditions on noise schedules under which state-of-the-art $\tilde{\mathcal{O}} (d/n)$ sampling error is achievable, where $d$ is the data dimension and $n$ is the number of discretization steps. While existing theoretical work also prove that $\tilde{\mathcal{O}}(d/n)$ sampling error bounds are achievable, these results hold for specific noise schedules, which do not include the schedules used in practice. Under a further parametric assumption on the data distribution, we show that one can obtain closed-form expressions for the noise schedules. These noise schedules generalize standard empirical schedules such as exponential and sigmoid schedules by allowing additional parameters that can be tuned. Systematically tuning the parameters of these schedules yields new schedules that achieve superior FID scores on image generation benchmarks.

We consider the problem of generating images whose internal structure -- defined by the distribution of patches across multiple scales -- matches that of a single reference image. Recent approaches address this problem by training a diffusion model on a single image. But even in this setting, training is computationally expensive and requires hours of optimization. Instead, we model the image using a dataset of its patches at different scales. As this dataset is finite and the dimensionality of its patches is small, the score function for a noisy patch can be computed tractably using an optimal, closed-form denoiser, eliminating the need for neural network training. We integrate this patch-based denoiser into an efficient, training-free image diffusion model, and we describe how our method connects to classical patch-based image restoration techniques. Our approach achieves state-of-the-art generation quality and diversity compared to trained single-image diffusion models, and we demonstrate applications, including unconditional image generation, text-guided stylization, image symmetrization, and retargeting. Further, we show that our approach is compatible with latent space diffusion, and we show multiple additional acceleration techniques to achieve megapixel single-image generation in one second, and gigapixel generation in minutes.