从频谱视角重新评估GNN,发现其能力远超简单的邻域聚合。
Graph Neural Networks Are More Than Filters: Revisiting and Benchmarking from A Spectral Perspective
- 通过频谱分析揭示GNN能灵活响应不同频率成分。
- 实验证明GNN在无特定频率输入时仍可生成多样输出。
- 为理解GNN本质提供新视角,适合图学习研究者参考。
图神经网络(GNN)在各类图学习任务中表现卓越。尽管其性能常归因于强大的邻域聚合机制,但近期研究指出,非线性层等其他组件也可能显著影响GNN在频谱域对图数据的处理方式。这一发现挑战了当前认为邻域聚合主导GNN频谱行为的普遍观点。为澄清此矛盾,本文提出一个全面的基准测试框架,用于衡量和评估GNN在捕捉与利用输入图数据中不同频率成分信息方面的性能。我们首先开展探索性研究,证明即使某些频率成分被移除或过滤,GNN仍可灵活产生具有多种频率特性的输出。随后,我们构建了一个新的频谱视角下的评估问题,并设计了一套基于完整理论分析的评估协议。最后,在真实世界数据集上建立了综合性基准,揭示出与现有主流认知相悖的洞见。我们相信这些发现将为该领域未来发展开辟新路径。代码已公开于:https://github.com/yushundong/Spectral-benchmark。
原文摘要 · Abstract (English)
Graph Neural Networks (GNNs) have achieved remarkable success in various graph-based learning tasks. While their performance is often attributed to the powerful neighborhood aggregation mechanism, recent studies suggest that other components such as non-linear layers may also significantly affecting how GNNs process the input graph data in the spectral domain. Such evidence challenges the prevalent opinion that neighborhood aggregation mechanisms dominate the behavioral characteristics of GNNs in the spectral domain. To demystify such a conflict, this paper introduces a comprehensive benchmark to measure and evaluate GNNs' capability in capturing and leveraging the information encoded in different frequency components of the input graph data. Specifically, we first conduct an exploratory study demonstrating that GNNs can flexibly yield outputs with diverse frequency components even when certain frequencies are absent or filtered out from the input graph data. We then formulate a novel research problem of measuring and benchmarking the performance of GNNs from a spectral perspective. To take an initial step towards a comprehensive benchmark, we design an evaluation protocol supported by comprehensive theoretical analysis. Finally, we introduce a comprehensive benchmark on real-world datasets, revealing insights that challenge prevalent opinions from a spectral perspective. We believe that our findings will open new avenues for future advancements in this area. Our implementations can be found at: https://github.com/yushundong/Spectral-benchmark.
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