Organizations: RIKEN AIP & The Institute of Statistical Mathematics · University of Sydney · Agency for Science, Technology and Research & The Institute of Statistical Mathematics · The University of Tokyo · Nanyang Technological University · The University of Tokyo & RIKEN AIP · The Institute of Statistical Mathematics
Abstract
Diffusion models generate high-dimensional data with remarkable quality, yet how their training efficiently learns the score function, bypassing the curse of dimensionality when data is supported on low-dimensional manifolds, remains theoretically unexplained. We identify a collapse-and-refine mechanism driven by the geometry of the score function itself: at small noise scales, the diverging singularity of the score drives a rapid dimensional collapse of the induced denoising map onto the data manifold projection; at moderate noise scales, training refines the intrinsic density on the learned manifold. We instantiate this principle as Score-induced Latent Diffusion (SiLD), a two-stage framework in which both manifold learning and density estimation emerge from a single denoising score matching objective, replacing the heuristic KL regularization of VAE-based latent diffusion models. We prove that the resulting sample complexity depends on the intrinsic dimension rather than the ambient dimension. Experiments on Stacked MNIST, CelebA variants, and molecular generation benchmarks show that SiLD matches or outperforms VAE-based LDMs in generation quality and consistently improves reconstruction, validating our theoretical predictions.
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.
The remarkable success of score-based diffusion models has spurred significant efforts to establish their theoretical foundations. However, existing complexity bounds for score approximation rely heavily on restrictive assumptions like Lipschitz continuous densities or smooth manifold supports, which are routinely violated by the singularities, sharp boundaries, and disjoint clusters inherent to real-world perceptual data. This work establishes a universal score approximation theorem that works for any distribution supported on any compact set of upper Minkowski dimension d. Using a novel discrete-mixture formulation, we prove that the score function can be approximated with a ReLU network whose complexity grows exponentially only with d, thus breaking the exponential curse of ambient dimensionality. Combined with existing theories on accurately solving the backward diffusion SDE for arbitrary compact distributions, our work shows that diffusion models readily adapt to irregular, non-smooth data structures, explaining their competence in real-world generative tasks.
We introduce the Intrinsic Hybrid Latent Diffusion Model (ILDM), a generative framework that integrates probabilistic dimensionality reduction with geometry-aware diffusion on unknown manifolds. While diffusion models (DMs) have achieved state-of-the-art results in high-dimensional data synthesis, they rely on large training datasets and ignore intrinsic geometric structure. Latent diffusion models (LDMs) address the high dimensionality by learning a latent space, but they typically impose a Euclidean structure, failing to capture the underlying manifold geometry, especially problematic in data-sparse regimes. ILDM addresses these limitations by interpreting the latent space as a chart of an unknown Riemannian manifold, with geometry and uncertainty quantified through a probabilistic decoder. The forward process is a hybrid diffusion that switches between Riemannian and Euclidean dynamics based on local uncertainty, where the Riemannian component is governed by a probabilistic metric tensor derived from the decoder. To learn the generative dynamics, we introduce an approximate denoising score matching method tailored to the hybrid diffusion setting, enabling a backward process defined by hybrid Langevin dynamics. Experiments on COIL-100, MNIST, and cardiac MRI datasets demonstrate that ILDM significantly improves generation quality, achieving lower FID and LPIPS scores compared to standard diffusion and latent diffusion models.