提出新型图核NASK,同时捕捉异质属性与邻居结构信息。
Heterogeneous Attributed Graph Learning via Neighborhood-Aware Star Kernels
- 用指数变换的Gower相似度融合数值与类别属性
- 通过带WL迭代的星型子结构捕获多尺度邻居结构
- 在11个基准上优于16种主流方法,适合图分类任务
属性图通常具有不规则拓扑和数值与类别属性混合的特点,广泛存在于社交网络、生物信息学和化学信息学等领域。尽管图核为度量图相似性提供了合理框架,但现有方法往往难以同时捕捉属性语义与邻域信息。本文提出邻域感知星型核(NASK),一种用于属性图学习的新图核。NASK利用Gower相似度的指数变换,高效联合建模数值与类别特征,并通过引入威斯费勒-莱曼迭代的星型子结构,整合多尺度邻域结构信息。理论证明NASK为正定核,确保与SVM等基于核的学习框架兼容。在11个属性图和4个大规模真实世界图基准上进行了广泛实验,结果表明NASK在性能上持续优于16种先进基线,包括9种图核和7种图神经网络。
原文摘要 · Abstract (English)
Attributed graphs, typically characterized by irregular topologies and a mix of numerical and categorical attributes, are ubiquitous in diverse domains such as social networks, bioinformatics, and cheminformatics. While graph kernels provide a principled framework for measuring graph similarity, existing kernel methods often struggle to simultaneously capture heterogeneous attribute semantics and neighborhood information in attributed graphs. In this work, we propose the Neighborhood-Aware Star Kernel (NASK), a novel graph kernel designed for attributed graph learning. NASK leverages an exponential transformation of the Gower similarity coefficient to jointly model numerical and categorical features efficiently, and employs star substructures enhanced by Weisfeiler-Lehman iterations to integrate multi-scale neighborhood structural information. We theoretically prove that NASK is positive definite, ensuring compatibility with kernel-based learning frameworks such as SVMs. Extensive experiments are conducted on eleven attributed and four large-scale real-world graph benchmarks. The results demonstrate that NASK consistently achieves superior performance over sixteen state-of-the-art baselines, including nine graph kernels and seven Graph Neural Networks.
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