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

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 isotropic Gaussian, back to a complex, possibly non-log-concave initial measure $\mu$. The score function performs denoising, going backward in time, predicting the conditional mean of the past location given the current. 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.

Learning When the Concept Shifts: Confounding, Invariance, and Dimension Reduction

Practitioners often deploy a learned prediction model in a new environment where the joint distribution of covariate and response has shifted. In observational data, the distribution shift is often driven by unobserved confounding factors lurking in the environment, with the underlying mechanism unknown. Confounding can obfuscate the definition of the best prediction model (concept shift) and shift covariates to domains yet unseen (covariate shift). Therefore, a model maximizing prediction accuracy in the source environment could suffer a significant accuracy drop in the target environment. This motivates us to study the domain adaptation problem with observational data: given labeled covariate and response pairs from a source environment, and unlabeled covariates from a target environment, how can one predict the missing target response reliably? We root the adaptation problem in a linear structural causal model to address endogeneity and unobserved confounding. We study the necessity and benefit of leveraging exogenous, invariant covariate representations to cure concept shifts and improve target prediction. This further motivates a new representation learning method for adaptation that optimizes for a lower-dimensional linear subspace and, subsequently, a prediction model confined to that subspace. The procedure operates on a non-convex objective-that naturally interpolates between predictability and stability/invariance-constrained on the Stiefel manifold. We study the optimization landscape and prove that, when the regularization is sufficient, nearly all local optima align with an invariant linear subspace resilient to both concept and covariate shift. In terms of predictability, we show a model that uses the learned lower-dimensional subspace can incur a nearly ideal gap between target and source risk. Three real-world data sets are investigated to validate our method and theory.