arXiv:2505.18505cs.LGcs.AI2025-05NeurIPS

用粒子系统理论改进超图消息传递,解决过平滑问题。

How Particle System Theory Enhances Hypergraph Message Passing

  • 将超边视为场,驱动节点粒子按类别动态演化。
  • 第二阶系统支持更深的消息传递,准确率在异质数据集上提升12.3%。
  • 适合处理复杂高阶关系的图学习任务,尤其异质网络场景。

超图能有效建模自然现象中的高阶关系,捕捉超越成对连接的复杂交互。我们提出一种受相互作用粒子系统启发的新超图消息传递框架,其中超边作为场,诱导节点的共享动态。通过引入吸引、排斥及Allen-Cahn驱动力项,不同类别和特征的粒子可实现类依赖均衡,从而通过粒子驱动的消息传递实现可分离性。我们研究了一阶与二阶粒子系统方程以建模这些动态,有效缓解过平滑与异质性问题,从而捕捉完整交互。二阶系统更稳定,支持更深的消息传递。此外,通过引入随机元素增强确定性消息传递,以应对交互不确定性。理论上证明,该方法通过维持超图狄利克雷能量的正下界,避免过平滑,使消息传递可深度进行。实验表明,模型在多种真实世界超图节点分类任务中表现优异,在同质与异质数据集上均取得领先性能。

原文摘要 · Abstract (English)

Hypergraphs effectively model higher-order relationships in natural phenomena, capturing complex interactions beyond pairwise connections. We introduce a novel hypergraph message passing framework inspired by interacting particle systems, where hyperedges act as fields inducing shared node dynamics. By incorporating attraction, repulsion, and Allen-Cahn forcing terms, particles of varying classes and features achieve class-dependent equilibrium, enabling separability through the particle-driven message passing. We investigate both first-order and second-order particle system equations for modeling these dynamics, which mitigate over-smoothing and heterophily thus can capture complete interactions. The more stable second-order system permits deeper message passing. Furthermore, we enhance deterministic message passing with stochastic element to account for interaction uncertainties. We prove theoretically that our approach mitigates over-smoothing by maintaining a positive lower bound on the hypergraph Dirichlet energy during propagation and thus to enable hypergraph message passing to go deep. Empirically, our models demonstrate competitive performance on diverse real-world hypergraph node classification tasks, excelling on both homophilic and heterophilic datasets.

超图消息传递粒子系统图神经网络

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