Denoising Diffusions with Optimal Transport: Localization, Curvature, and Multi-Scale Complexity

TL;DR

This paper explores the theoretical foundations of diffusion-based generative models, revealing how curvature and multi-scale complexity influence the denoising process and establishing the score function as an optimal transport map.

Contribution

It introduces a novel analysis linking curvature and multi-scale complexity to denoising difficulty, providing new insights into the optimal transport interpretation of score-based diffusion models.

Findings

Score denoising is the optimal backward map in transportation cost.

Curvature determines localization uncertainty in denoising.

Multi-scale curvature complexity predicts denoising difficulty at different SNR scales.

Abstract

Adding noise is easy; what about denoising? Diffusion is easy; what about reverting a diffusion? Diffusion-based generative models aim to denoise a Langevin diffusion chain, moving from a log-concave equilibrium measure $\nu$, say an isotropic Gaussian, back to a complex, possibly non-log-concave initial measure $\mu$. The score function performs denoising, moving backward in time, and predicting the conditional mean of the past location given the current one. We show that score denoising is the optimal backward map in transportation cost. What is its localization uncertainty? We show that the curvature function determines this localization uncertainty, measured as the conditional variance of the past location given the current. We study in this paper the effectiveness of the diffuse-then-denoise process: the contraction of the forward diffusion chain, offset by the possible expansion of the backward denoising chain, governs the denoising difficulty. For any initial measure $\mu$, we prove that this offset net contraction at time $t$ is characterized by the curvature complexity of a smoothed $\mu$ at a specific signal-to-noise ratio (SNR) scale $r(t)$. We discover that the multi-scale curvature complexity collectively determines the difficulty of the denoising chain. Our multi-scale complexity quantifies a fine-grained notion of average-case curvature instead of the worst-case. Curiously, it depends on an integrated tail function, measuring the relative mass of locations with positive curvature versus those with negative curvature; denoising at a specific SNR scale is easy if such an integrated tail is light. We conclude with several non-log-concave examples to demonstrate how the multi-scale complexity probes the bottleneck SNR for the diffuse-then-denoise process.