提出基于几何感知的图池化方法,更好保留图结构信息。
Geometry-Aware Edge Pooling for Graph Neural Networks
- 通过边坍缩构建结构感知的图池化,利用扩散几何保持图度量结构。
- 在多种图分类任务中性能领先,且在不同池化比例下仍保持高精度。
- 适合需要结构可解释性的图学习场景,如生物网络、社交网络分析。
图神经网络(GNN)在图相关任务中表现优异。由于真实应用中数据集规模庞大,图池化层对GNN至关重要。通过缩减输入图的大小,池化可加速训练并提升泛化能力。然而,现有池化方法常为任务目标牺牲基础图结构,降低可解释性,导致在不同数据集类型、下游任务和池化比例下表现不稳定。为此,我们提出新型图池化层,通过边坍缩实现结构感知的池化。方法利用扩散几何,在迭代缩减图规模的同时,保持其度量结构与结构多样性。通过无偏移的多样性度量‘magnitude’引导池化过程,控制压缩保真度;进一步采用度量空间展开度作为更快更稳定的替代方案,保障计算效率。实验表明,所提方法(i)在多种多样的图分类任务中表现最优,(ii)有效保留输入图的关键谱特性,(iii)在不同池化比例下仍保持高准确率。
原文摘要 · Abstract (English)
Graph Neural Networks (GNNs) have shown significant success for graph-based tasks. Motivated by the prevalence of large datasets in real-world applications, pooling layers are crucial components of GNNs. By reducing the size of input graphs, pooling enables faster training and potentially better generalisation. However, existing pooling operations often optimise for the learning task at the expense of discarding fundamental graph structures, thus reducing interpretability. This leads to unreliable performance across dataset types, downstream tasks and pooling ratios. Addressing these concerns, we propose novel graph pooling layers for structure-aware pooling via edge collapses. Our methods leverage diffusion geometry and iteratively reduce a graph's size while preserving both its metric structure and its structural diversity. We guide pooling using magnitude, an isometry-invariant diversity measure, which permits us to control the fidelity of the pooling process. Further, we use the spread of a metric space as a faster and more stable alternative ensuring computational efficiency. Empirical results demonstrate that our methods (i) achieve top performance compared to alternative pooling layers across a range of diverse graph classification tasks, (ii) preserve key spectral properties of the input graphs, and (iii) retain high accuracy across varying pooling ratios.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。