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arXiv 2403.03599cs.LG
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通过簇泛化学习图神经网络的不变表示

Learning Invariant Representations of Graph Neural Networks via Cluster Generalization

Beijing University of Posts and Telecommunications(北京邮电大学);Beihang University(北京航空航天大学)

Donglin Xia, Xiao Wang, Nian Liu, Chuan Shi

AI总结:

针对图神经网络在结构偏移下性能下降的问题,提出即插即用的簇信息迁移机制,通过结合簇信息并保留簇无关信息、生成跨簇节点来学习不变表示,经理论分析和三类场景实验验证可有效提升泛化性能。

摘要:

图神经网络(GNNs)凭借其通过聚合局部结构信息学习节点表示的能力,在建模图结构数据方面日益流行。但学界普遍认为,测试图结构可能与训练图结构存在差异,进而引发结构偏移。本文通过实验发现,当发生结构偏移时,GNNs的性能会显著下降,这表明所学习的模型可能对特定结构模式存在偏倚。为应对这一挑战,我们提出了簇信息迁移(Cluster Information Transfer,CIT)机制(代码可在https://github.com/BUPT-GAMMA/CITGNN获取),该机制能够为GNNs学习不变表示,从而提升其对存在结构偏移的各类未知测试图的泛化能力。CIT机制通过将不同的簇信息与节点相结合,同时保留节点的簇无关信息来实现这一目标。通过生成跨不同簇的节点,该机制显著提升了节点的多样性,帮助GNNs学习到不变表示。我们对CIT机制进行了理论分析,结果表明,在结构偏移过程中,簇变化带来的影响可在迁移后得到缓解。此外,所提出的机制是一种即插即用组件,可便捷地用于改进现有GNNs。我们在三种典型的结构偏移场景下对所提方法进行了全面评估,证明了其在提升GNNs性能方面的有效性。

英文摘要:

Graph neural networks (GNNs) have become increasingly popular in modeling graph-structured data due to their ability to learn node representations by aggregating local structure information. However, it is widely acknowledged that the test graph structure may differ from the training graph structure, resulting in a structure shift. In this paper, we experimentally find that the performance of GNNs drops significantly when the structure shift happens, suggesting that the learned models may be biased towards specific structure patterns. To address this challenge, we propose the Cluster Information Transfer (CIT) mechanism (Code available at https://github.com/BUPT-GAMMA/CITGNN), which can learn invariant representations for GNNs, thereby improving their generalization ability to various and unknown test graphs with structure shift. The CIT mechanism achieves this by combining different cluster information with the nodes while preserving their cluster-independent information. By generating nodes across different clusters, the mechanism significantly enhances the diversity of the nodes and helps GNNs learn the invariant representations. We provide a theoretical analysis of the CIT mechanism, showing that the impact of changing clusters during structure shift can be mitigated after transfer. Additionally, the proposed mechanism is a plug-in that can be easily used to improve existing GNNs. We comprehensively evaluate our proposed method on three typical structure shift scenarios, demonstrating its effectiveness in enhancing GNNs' performance.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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