Manifold Aware Denoising Score Matching (MAD)

We study denoising score matching (DSM) when the latent distribution is supported on a smooth embedded manifold $M \subset \mathbb{R}^D$. Under ambient Gaussian corruption, the tangent denoising target contains a singular normal-fiber noise channel whose variance diverges as $d/σ^2$ as $σ\to 0^+$. We show that conditioning on the nearest-point projection $π(X)$ canonically removes this singularity: the resulting conditional expectation is the unique $L^2$-optimal Rao-Blackwellized predictor of the tangent DSM target among all estimators depending only on the projected observation $π(X)$. We then compute the small-noise expansion of this canonical target and show that it equals the intrinsic Riemannian score up to an explicit order-$σ^2$ correction that decomposes into an intrinsic Tweedie term and an extrinsic curvature term involving the Weingarten and Ricci operators. In the flat case, the construction reduces exactly to ordinary lower-dimensional Gaussian DSM, while on $S^d$ the extrinsic correction simplifies to the scalar factor $(1-d/2)\nabla_M \log q$; this extrinsic $σ^2$ correction cancels identically on $S^2$, though the intrinsic Tweedie term remains.

We study the theoretical behavior of denoising score matching--the learning task associated to diffusion models--when the data distribution is supported on a low-dimensional manifold and the score is parameterized using a random feature neural network. We derive asymptotically exact expressions for the test, train, and score errors in the high-dimensional limit. Our analysis reveals that, for linear manifolds the sample complexity required to learn the score function scales linearly with the intrinsic dimension of the manifold, rather than with the ambient dimension. Perhaps surprisingly, the benefits of low-dimensional structure starts to diminish once we have a non-linear manifold. These results indicate that diffusion models can benefit from structured data; however, the dependence on the specific type of structure is subtle and intricate.

We propose Riemannian Denoising Diffusion Probabilistic Models (RDDPMs) for learning distributions on submanifolds of Euclidean space that are level sets of functions, including most of the manifolds relevant to applications. Existing methods for generative modeling on manifolds rely on substantial geometric information such as geodesic curves or eigenfunctions of the Laplace-Beltrami operator and, as a result, they are limited to manifolds where such information is available. In contrast, our method, built on a projection scheme, can be applied to more general manifolds, as it only requires being able to evaluate the value and the first order derivatives of the function that defines the submanifold. We provide a theoretical analysis of our method in the continuous-time limit, which elucidates the connection between our RDDPMs and score-based generative models on manifolds. The capability of our method is demonstrated on datasets from previous studies and on new datasets sampled from two high-dimensional manifolds, i.e. $\mathrm{SO}(10)$ and the configuration space of molecular system alanine dipeptide with fixed dihedral angle.