提出基于随机微分方程的超图不确定性估计框架,实现动态建模与可信推理。
Hypergraph Neural Stochastic Diffusion: An SDE Framework for Uncertainty Estimation

- 将超图表示建模为随结构演化的随机过程,通过可学习漂移与噪声项捕捉高阶依赖。
- 在多个超图基准上实现对分布外样本和误分类的有效检测,同时保持预测精度。
- 适合关注可信机器学习、高阶关系建模与不确定性量化的研究者。
超图神经网络在建模高阶关系方面表现强大,但其预测不确定性仍缺乏深入研究。与成对图不同,超图的不确定性不仅源于噪声属性和模糊标签,还来自节点-超边关联结构的变化及复杂的高阶依赖。现有方法主要从最终预测中估算不确定性,或依赖计算成本高昂的集成与贝叶斯推断,难以捕捉表示学习过程中的不确定性演化。本文提出超图神经随机扩散(HyperNSD),一种基于随机微分方程的超图不确定性估计框架。HyperNSD 将超图表示建模为随节点-超边关联结构演化的随机过程:可学习的漂移函数捕捉确定性高阶扩散动态,可学习的随机扰动函数刻画结构歧义与表示噪声。预测不确定性通过随机表示轨迹的变异性直接量化,提供超越后验置信度的内在不确定性度量。我们采用神经漂移与扩散网络构建 HyperNSD,实现预测与不确定性传播的联合学习。理论分析证明了该随机动力系统的适定性、摄动稳定性、置换等变性及数值收敛性。在多个超图基准上的实验表明,HyperNSD 能可靠地进行分布外检测与误分类识别,同时保持有竞争力的预测准确率。这些结果为可信的高阶表示学习提供了原则性的随机动力学框架。
原文摘要 · Abstract (English)
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.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。