arXiv:2501.12554cs.LG2025-01被引 8

首次为四类超图神经网络建立理论泛化界,揭示结构与权重对泛化的影响。

Generalization Performance of Hypergraph Neural Networks

  • 基于PAC-Bayes框架,提出超图神经网络的泛化边界分析方法。
  • 实证发现理论边界与实际损失高度相关,多数情况具统计显著性。
  • 适合关注超图模型理论解释与泛化性能的研究者阅读。

超图神经网络在处理高阶数据学习任务中表现出色,广泛应用于网页图建模多向超链接结构及复杂用户交互。然而其泛化能力的理论理解仍不充分。本文针对四类代表性超图神经网络——基于卷积的方法(UniGCN)、基于集合聚合的方法(AllDeepSets)、不变与等变变换方法(M-IGN)以及张量方法(T-MPHN),通过PAC-Bayes框架建立了基于边界的泛化性能分析。研究揭示了超图结构与学习权重的谱范数如何影响泛化界,关键技术挑战在于为超图神经网络设计新的扰动分析,从而提供对模型权重和结构变化如何影响泛化行为的严格理解。实验在合成与真实数据集上验证了理论边界与实际性能之间的关系,结果显示理论边界与经验损失之间存在强相关性,在大多数情况下具有统计显著性。

原文摘要 · Abstract (English)

Hypergraph neural networks have been promising tools for handling learning tasks involving higher-order data, with notable applications in web graphs, such as modeling multi-way hyperlink structures and complex user interactions. Yet, their generalization abilities in theory are less clear to us. In this paper, we seek to develop margin-based generalization bounds for four representative classes of hypergraph neural networks, including convolutional-based methods (UniGCN), set-based aggregation (AllDeepSets), invariant and equivariant transformations (M-IGN), and tensor-based approaches (T-MPHN). Through the PAC-Bayes framework, our results reveal the manner in which hypergraph structure and spectral norms of the learned weights can affect the generalization bounds, where the key technical challenge lies in developing new perturbation analysis for hypergraph neural networks, which offers a rigorous understanding of how variations in the model's weights and hypergraph structure impact its generalization behavior. Our empirical study examines the relationship between the practical performance and theoretical bounds of the models over synthetic and real-world datasets. One of our primary observations is the strong correlation between the theoretical bounds and empirical loss, with statistically significant consistency in most cases.

超图神经网络泛化理论机器学习

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