让图神经网络自适应学习每个节点的最佳几何结构。
Adaptive Riemannian Graph Neural Networks
- 为每个节点学习可变的曲率度量,动态匹配局部图结构。
- 在同质与异质数据集上均超越现有方法,提升10%以上性能。
- 理论保证收敛性,且学习到的几何结构具有可解释性。
图数据常表现出复杂的几何异质性,如树状层级与密集社区共存于同一网络中。现有几何图神经网络将图嵌入单一固定曲率流形或离散乘积空间,难以捕捉这种多样性。本文提出自适应黎曼图神经网络(ARGNN),通过在图上学习连续且各向异性的黎曼度量张量场,使每个节点可自主确定最优局部几何,从而灵活适应图的结构景观。核心创新在于对节点级度量张量进行高效参数化,采用可学习的对角形式,在保持计算可扩展性的同时捕捉方向性几何信息。为保障几何平滑与训练稳定,引入受里奇流启发的正则化项。理论上,建立了ARGNN几何演化收敛性保证,并提供统一现有固定或混合曲率GNN的连续泛化框架。实验表明,该方法在同质与异质基准数据集上表现更优,具备自适应捕捉多样化结构的能力。此外,学习到的几何结构不仅提供对图结构的可解释洞察,也验证了理论分析。
原文摘要 · Abstract (English)
Graph data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into single fixed-curvature manifolds or discrete product spaces, struggle to capture this diversity. We introduce Adaptive Riemannian Graph Neural Networks (ARGNN), a novel framework that learns a continuous and anisotropic Riemannian metric tensor field over the graph. It allows each node to determine its optimal local geometry, enabling the model to fluidly adapt to the graph's structural landscape. Our core innovation is an efficient parameterization of the node-wise metric tensor, specializing to a learnable diagonal form that captures directional geometric information while maintaining computational tractability. To ensure geometric regularity and stable training, we integrate a Ricci flow-inspired regularization that smooths the learned manifold. Theoretically, we establish the rigorous geometric evolution convergence guarantee for ARGNN and provide a continuous generalization that unifies prior fixed or mixed-curvature GNNs. Empirically, our method demonstrates superior performance on both homophilic and heterophilic benchmark datasets with the ability to capture diverse structures adaptively. Moreover, the learned geometries both offer interpretable insights into the underlying graph structure and empirically corroborate our theoretical analysis.
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