arXiv:2502.03251cs.LG2025-02中稿 · WWW 2025被引 45

用黎曼几何构建图结构通用模型,提升跨领域图数据泛化能力

RiemannGFM: Learning a Graph Foundation Model from Riemannian Geometry

  • 基于树与环的通用结构词汇,在黎曼流形中学习图特征
  • 在多个真实图数据集上实现显著优于基线的迁移性能
  • 适合需要跨领域图分析的研究者与工业应用

基础模型开启了人工智能新纪元,通过预训练单一模型实现跨数据集的迁移能力。图神经网络擅长学习非欧几里得结构的图数据,但普遍缺乏泛化能力。因此图基础模型日益受到关注,现有工作多借助大语言模型,但主要聚焦于文本属性图,而现实中大量图缺乏丰富文本信息;同时,为大语言模型设计的序列化图描述忽略了图的结构性复杂性。这促使一个关键问题:能否超越大语言模型,预训练一个通用模型以学习任意图的结构知识?在语言和视觉领域,答案是共享词汇表。我们发现图领域也存在共通子结构,由此开启基于结构词汇的图基础模型新路径。核心创新在于发现树与环构成简单而有效的结构词汇,并探索其与黎曼几何的内在联系。为此提出通用预训练模型 RiemannGFM:首先构建新型乘积丛以融合词汇的多样几何特性;随后在此空间上堆叠黎曼层,使结构词汇在黎曼流形中学习,实现跨域可迁移性。大量实验表明,RiemannGFM 在多种真实图数据上均表现优异。

原文摘要 · Abstract (English)

The foundation model has heralded a new era in artificial intelligence, pretraining a single model to offer cross-domain transferability on different datasets. Graph neural networks excel at learning graph data, the omnipresent non-Euclidean structure, but often lack the generalization capacity. Hence, graph foundation model is drawing increasing attention, and recent efforts have been made to leverage Large Language Models. On the one hand, existing studies primarily focus on text-attributed graphs, while a wider range of real graphs do not contain fruitful textual attributes. On the other hand, the sequential graph description tailored for the Large Language Model neglects the structural complexity, which is a predominant characteristic of the graph. Such limitations motivate an important question: Can we go beyond Large Language Models, and pretrain a universal model to learn the structural knowledge for any graph? The answer in the language or vision domain is a shared vocabulary. We observe the fact that there also exist shared substructures underlying graph domain, and thereby open a new opportunity of graph foundation model with structural vocabulary. The key innovation is the discovery of a simple yet effective structural vocabulary of trees and cycles, and we explore its inherent connection to Riemannian geometry. Herein, we present a universal pretraining model, RiemannGFM. Concretely, we first construct a novel product bundle to incorporate the diverse geometries of the vocabulary. Then, on this constructed space, we stack Riemannian layers where the structural vocabulary, regardless of specific graph, is learned in Riemannian manifold offering cross-domain transferability. Extensive experiments show the effectiveness of RiemannGFM on a diversity of real graphs.

图神经网络黎曼几何基础模型结构学习

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