arXiv:2410.03396cs.LGcs.AI2024-10NeurIPS

提出跨相关图自编码器,提升小图多图结构重建能力

GraphCroc: Cross-Correlation Autoencoder for Graph Structural Reconstruction

  • 引入跨相关机制替代传统自相关,增强结构表征
  • 在小图和多图场景下,结构重建准确率显著优于现有方法
  • 适用于多种下游任务,对优化偏差有良好鲁棒性

图结构数据在众多应用中至关重要,催生了多种图表示方法。图自编码器(GAE)通过节点嵌入重构图结构,但现有模型主要依赖自相关,聚焦节点级任务,常忽略多图场景。理论分析表明,自相关在岛屿结构、对称结构及有向边等特征表征上表现不足,尤其在小图或多个图时。为此,我们提出跨相关机制,显著提升GAE的表征能力。进一步提出GraphCroc,一种支持灵活编码架构的新GAE,通过镜像编码-解码过程实现稳健的结构重建,并采用损失平衡策略缓解优化中的表示偏差。理论分析与数值实验均表明,该方法在图结构重建上显著优于基于自相关的现有GAE。

原文摘要 · Abstract (English)

Graph-structured data is integral to many applications, prompting the development of various graph representation methods. Graph autoencoders (GAEs), in particular, reconstruct graph structures from node embeddings. Current GAE models primarily utilize self-correlation to represent graph structures and focus on node-level tasks, often overlooking multi-graph scenarios. Our theoretical analysis indicates that self-correlation generally falls short in accurately representing specific graph features such as islands, symmetrical structures, and directional edges, particularly in smaller or multiple graph contexts. To address these limitations, we introduce a cross-correlation mechanism that significantly enhances the GAE representational capabilities. Additionally, we propose GraphCroc, a new GAE that supports flexible encoder architectures tailored for various downstream tasks and ensures robust structural reconstruction, through a mirrored encoding-decoding process. This model also tackles the challenge of representation bias during optimization by implementing a loss-balancing strategy. Both theoretical analysis and numerical evaluations demonstrate that our methodology significantly outperforms existing self-correlation-based GAEs in graph structure reconstruction.

图神经网络自编码器结构重建

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