通过图结构属性训练通用图模型,提升跨域泛化能力。
GraphProp: Training the Graph Foundation Models using Graph Properties
- 用图不变量预测训练结构化基础模型,捕捉抽象结构信息
- 在无节点属性图上表现显著优于基线,少样本学习提升明显
- 适合需要跨域泛化能力的图分类任务研究者
本文聚焦于训练具备强泛化能力的图基础模型(GFMs),用于图级别任务如图分类。有效训练GFMs需捕获跨领域一致的信息。我们发现图结构提供的跨域一致性高于节点特征和图标签。然而,传统GFMs主要关注将不同领域的节点特征映射到统一表示空间,常缺乏结构上的跨域泛化能力。为此,我们提出GraphProp,强调结构泛化。其训练过程分为两阶段:第一阶段通过预测图不变量训练结构化GFM,因图不变量仅依赖图的抽象结构而非具体标记或绘制方式,该模型能有效捕捉抽象结构信息,生成可跨域比较的图表示;第二阶段使用结构化GFM生成的表示作为位置编码,训练综合型GFM,利用领域特定的节点属性和图标签进一步提升跨域节点特征泛化能力。实验表明,GraphProp在监督学习和少样本学习中均显著优于对比方法,尤其在无节点属性图上表现突出。
原文摘要 · Abstract (English)
This work focuses on training graph foundation models (GFMs) that have strong generalization ability in graph-level tasks such as graph classification. Effective GFM training requires capturing information consistent across different domains. We discover that graph structures provide more consistent cross-domain information compared to node features and graph labels. However, traditional GFMs primarily focus on transferring node features from various domains into a unified representation space but often lack structural cross-domain generalization. To address this, we introduce GraphProp, which emphasizes structural generalization. The training process of GraphProp consists of two main phases. First, we train a structural GFM by predicting graph invariants. Since graph invariants are properties of graphs that depend only on the abstract structure, not on particular labellings or drawings of the graph, this structural GFM has a strong ability to capture the abstract structural information and provide discriminative graph representations comparable across diverse domains. In the second phase, we use the representations given by the structural GFM as positional encodings to train a comprehensive GFM. This phase utilizes domain-specific node attributes and graph labels to further improve cross-domain node feature generalization. Our experiments demonstrate that GraphProp significantly outperforms the competitors in supervised learning and few-shot learning, especially in handling graphs without node attributes.
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