Hypergraph Neural Stochastic Diffusion: An SDE Framework for Uncertainty Estimation

Abstract

Hypergraph neural networks have shown powerful capability in modeling higher-order relations, yet their predictive uncertainty remains underexplored. Unlike pairwise graphs, uncertainty in hypergraphs arises not only from noisy attributes and ambiguous labels, but also from variations in node-hyperedge incidence structures and complex higher-order dependencies. Existing approaches mainly estimate uncertainty from final predictions or rely on computationally expensive ensembles and Bayesian inference, limiting their ability to capture uncertainty evolution during representation learning. In this paper, we propose Hypergraph Neural Stochastic Diffusion(HyperNSD), a stochastic differential equation framework for uncertainty estimation on hypergraphs. HyperNSD models hypergraph representations as stochastic processes evolving over node-hyperedge incidence structures. A learnable drift function captures deterministic higher-order diffusion dynamics, while a learnable stochastic forcing function characterizes structural ambiguity and representation noise. Predictive uncertainty is directly quantified through the variability of stochastic representation trajectories, providing an intrinsic uncertainty measure beyond post-hoc confidence scores. We formulate HyperNSD with neural drift and diffusion networks, enabling joint learning of prediction and uncertainty propagation. Theoretical analyses establish well posedness, perturbation stability,permutation equivariance, and numerical convergence of the proposed stochastic dynamics. Experiments on multiple hypergraph benchmarks demonstrate that HyperNSD achieves reliable uncertainty estimation for out-of-distribution and misclassification detection while preserving competitive prediction accuracy. These results provide a principled stochastic-dynamical framework for trustworthy higher-order representation learning.