A Gaussian Perspective for Distributional Discrepancy in Generative Diffusion Models

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.

Practical diffusion sampling is a numerical approximation problem: under a fixed inference budget, one must simulate a reverse-time ODE or SDE using only a limited number of denoising steps, so discretization error is often the dominant source of error. Existing non-asymptotic analyses provide convergence guarantees, but are typically too loose and too insensitive to diffusion parameters to guide practical design: broad families of schedules receive the same rates, which depend on coarse worst-case quantities such as the dimension or the drift Lipschitz constant. We take a less ambitious but more informative route. In the exact-score setting, we derive first-order asymptotic expansions of the Euler-Maruyama weak and Fréchet discretization errors. These formulas hold for general smooth reverse diffusions and become fully explicit under Gaussian data. They show how discretization error adapts to the geometry of the data through the covariance spectrum, and how this geometry interacts with key diffusion parameters, including the diffusion schedules and the diffusion-term coefficient. This yields tractable objectives for geometry-aware parameter optimization. Finally, we show that the qualitative predictions of the Gaussian formulas remain robust across diffusion sampling problems with different geometries, including image generation on different datasets and image posterior sampling.

Sampling in score-based diffusion models can be performed by solving either a reverse-time stochastic differential equation (SDE) parameterized by an arbitrary stochasticity function or a probability flow ODE, corresponding to setting this stochasticity function to zero. In this work, we investigate the effect of this stochasticity on the generation process through the evolution of Kullback-Leibler (KL) divergences, obtaining general KL divergence bounds and a novel analysis of the impact of the time-profile of the score error on model performance. For exact score functions, stochasticity has a contractive effect, decreasing KL divergence along the sampling trajectory. For approximate scores, however, a trade-off arises between correcting accumulated errors and amplifying current score errors, meaning stochasticity can either improve or degrade generation performance. Theoretical considerations indicate that the gain from stochasticity depends on the time-localization of the trained model error. We test this in experiments on both toy and benchmark data sets, also comparing the KL divergence evolution with the obtained bounds. We also present a fully analytical example, where all the relevant quantities can be computed, and the optimal stochasticity function can be characterized via an optimal control analysis.