Learning manifold diffusion semigroups from graph transition matrices
2026-05-25 • Machine Learning
Machine Learning
AI summaryⓘ
The authors study a way to approximate heat flow on a curved surface (manifold) using a graph built from random samples. They show that repeatedly applying a graph-based operator can closely mimic the true heat diffusion, even for functions that are not very smooth. They provide precise error bounds for their approximation and extend results to situations where sample points come from varying densities by adjusting the graph construction. Their method also works well for predicting heat flow at new, unseen points, and they verify their findings with computer experiments.
manifoldgraph diffusionheat semigroupgraph LaplacianGaussian kerneli.i.d. samplingoperator normnon-uniform densitykernel convolutionspectral graph theory
Authors
Xiuyuan Cheng, Nan Wu
Abstract
We consider graph diffusion processes constructed from finite i.i.d. samples drawn from an unknown manifold embedded in ambient Euclidean space, where the graph affinity is defined by an ambient Gaussian kernel matrix. We show that the manifold heat semigroup $Q_t = e^{tΔ}$ can be approximated directly by iterating the graph transition matrix $P$, under only low regularity assumptions on the test function $f$, including the case $f \in L^\infty$. We bound $\| P^n f - Q_t f \|$ in $\infty$-norm, with the operator application to $f$ properly defined, and we recover the classical graph-Laplacian pointwise rate $O(N^{-2/(d+6)})$ up to logarithmic factors, for diffusion times $t $ up to $O(1)$ and longer. The rate holds for in-sample error as well as out-of-sample generalization, where the estimator of $Q_t f$ at a new point is defined via kernel convolution. To handle non-uniform sampling densities on the manifold, we introduce a right-normalization of the graph transition matrix; under the assumption that the sampling density $p$ is $C^3$ and bounded away from zero, the same convergence rates hold. We numerically demonstrate the performance of the proposed estimator on simulated data.