将曲率与谱信号融合,提升图神经网络对复杂结构的建模能力。
Spectro-Riemannian Graph Neural Networks
- 融合双曲/球面/欧氏几何曲率与谱滤波,统一建模图结构
- 在8个数据集上节点分类准确率最高提升5.3%
- 适合处理层级、循环等复杂图结构,如社交网络、生物网络
能否通过融合谱信号与曲率信息,释放图表示学习的新潜力?非欧几何(尤其是双曲与球面流形)为刻画尺度自由、层级化和循环型图结构提供了强大归纳偏置。而谱滤波在处理图上信号变化方面表现优异,适用于同质与异质场景。联合利用二者可显著增强表征能力。为此,我们提出Spectro-Riemannian图神经网络(CUSP),首个统一曲率(几何)与谱信息的图学习范式。CUSP是一种混合曲率谱图神经网络,在常曲率流形(双曲、球面、欧氏)的乘积空间中学习谱滤波器以优化节点嵌入。其包含三个创新组件:(a) Cusp拉普拉斯算子,基于Ollivier-Ricci曲率扩展传统图拉普拉斯,更优捕捉曲率信号;(b) Cusp滤波,采用多个黎曼图滤波器获取特征谱各频段线索;(c) Cusp池化,结合层次注意力与曲率位置编码,评估不同曲率子结构的重要性。在8个同质与异质数据集上的实证表明,其在节点分类与链接预测任务中均优于现有模型,最高提升达5.3%。代码已公开于https://github.com/amazon-science/cusp。
原文摘要 · Abstract (English)
Can integrating spectral and curvature signals unlock new potential in graph representation learning? Non-Euclidean geometries, particularly Riemannian manifolds such as hyperbolic (negative curvature) and spherical (positive curvature), offer powerful inductive biases for embedding complex graph structures like scale-free, hierarchical, and cyclic patterns. Meanwhile, spectral filtering excels at processing signal variations across graphs, making it effective in homophilic and heterophilic settings. Leveraging both can significantly enhance the learned representations. To this end, we propose Spectro-Riemannian Graph Neural Networks (CUSP) - the first graph representation learning paradigm that unifies both CUrvature (geometric) and SPectral insights. CUSP is a mixed-curvature spectral GNN that learns spectral filters to optimize node embeddings in products of constant-curvature manifolds (hyperbolic, spherical, and Euclidean). Specifically, CUSP introduces three novel components: (a) Cusp Laplacian, an extension of the traditional graph Laplacian based on Ollivier-Ricci curvature, designed to capture the curvature signals better; (b) Cusp Filtering, which employs multiple Riemannian graph filters to obtain cues from various bands in the eigenspectrum; and (c) Cusp Pooling, a hierarchical attention mechanism combined with a curvature-based positional encoding to assess the relative importance of differently curved substructures in our graph. Empirical evaluation across eight homophilic and heterophilic datasets demonstrates the superiority of CUSP in node classification and link prediction tasks, with a gain of up to 5.3% over state-of-the-art models. The code is available at: https://github.com/amazon-science/cusp.
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