arXiv:2604.10955cs.LG2026-04被引 2

用偏微分方程思想改进超图神经网络的消息传递,提升稳定性和可解释性。

Hypergraph Neural Diffusion: A PDE-Inspired Framework for Hypergraph Message Passing

论文配图:Hypergraph Neural Diffusion: A PDE-Inspired Framework for Hypergraph Message Passing
图 1 · 摘自论文原文
  • 将超图消息传递建模为连续时间扩散过程,通过可学习系数调节传播方向。
  • 理论证明能量衰减、解有界且数值稳定,支持多种求解器构建深层模型。
  • 适用于复杂超图结构,尤其适合需要高稳定性和可解释性的任务。

超图神经网络(HGNN)在建模真实世界数据中的高阶关系方面展现出巨大潜力,但现有方法常面临传播浅层、过度平滑和对复杂超图结构适应性差的问题。本文提出超图神经扩散(HND),一种将非线性扩散方程与超图上的神经消息传递统一的新型框架。HND基于连续时间超图扩散方程,利用超图梯度与散度算子构建,并由一个可学习的、结构感知的超边-节点系数矩阵调制。该偏微分方程(PDE)形式提供了物理可解释视角,将特征传播理解为由局部不一致性驱动、自适应扩散系数控制的各向异性扩散过程。从这一视角出发,神经消息传递被视作离散化的梯度流,逐步最小化扩散能量泛函。我们推导了严格的理论保证,包括能量耗散、通过离散最大值原理实现的解有界性,以及显式和隐式数值格式下的稳定性。HND支持多种集成策略,如非自适应步长(如龙格-库塔)和自适应步长求解器,可构建深层、稳定且可解释的架构。在基准数据集上的大量实验表明,HND取得了具有竞争力的性能。结果凸显了基于偏微分方程设计在提升超图学习的稳定性、表达能力和可解释性方面的强大作用。

原文摘要 · Abstract (English)

Hypergraph neural networks (HGNNs) have shown remarkable potential in modeling high-order relationships that naturally arise in many real-world data domains. However, existing HGNNs often suffer from shallow propagation, oversmoothing, and limited adaptability to complex hypergraph structures. In this paper, we propose Hypergraph Neural Diffusion (HND), a novel framework that unifies nonlinear diffusion equations with neural message passing on hypergraphs. HND is grounded in a continuous-time hypergraph diffusion equation, formulated via hypergraph gradient and divergence operators, and modulated by a learnable, structure-aware coefficient matrix over hyperedge-node pairs. This partial differential equation (PDE) based formulation provides a physically interpretable view of hypergraph learning, where feature propagation is understood as an anisotropic diffusion process governed by local inconsistency and adaptive diffusion coefficient. From this perspective, neural message passing becomes a discretized gradient flow that progressively minimizes a diffusion energy functional. We derive rigorous theoretical guarantees, including energy dissipation, solution boundedness via a discrete maximum principle, and stability under explicit and implicit numerical schemes. The HND framework supports a variety of integration strategies such as non-adaptive-step (like Runge-Kutta) and adaptive-step solvers, enabling the construction of deep, stable, and interpretable architectures. Extensive experiments on benchmark datasets demonstrate that HND achieves competitive performance. Our results highlight the power of PDE-inspired design in enhancing the stability, expressivity, and interpretability of hypergraph learning.

超图神经网络偏微分方程消息传递可解释性

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。