arXiv:2504.12715cs.LG2025-04被引 8

提出分层向量量化图自编码器,解决图数据建模中的代码利用不足和稀疏问题。

Hierarchical Vector Quantized Graph Autoencoder with Annealing-Based Code Selection

  • 采用渐进式编码策略,提升早期训练中代码的广泛使用
  • 设计两级分层码本,增强节点特征与拓扑结构的关联学习
  • 在多个数据集上优于16个基线模型,适用于图表示学习

图自监督学习近年来受到广泛关注。然而,许多现有方法严重依赖扰动,不当扰动可能破坏图的固有信息。向量量化变分自编码器(VQ-VAE)在计算机视觉等领域表现优异,但在图数据上的应用仍不充分。本文对图自编码器中的向量量化进行了实证分析,证明其显著提升了模型捕捉图拓扑结构的能力。同时识别出两个关键挑战:码本利用率低与码本空间稀疏。针对第一个挑战,提出基于退火的编码策略,在训练初期促进广泛使用代码,随训练推进逐步聚焦高效代码;针对第二个挑战,引入分层双层码本,通过聚类捕获嵌入间的关联关系,第二层码本连接相似代码,促使模型为具有相似特征与拓扑结构的节点学习更接近的嵌入。所提模型在多个数据集上的自监督链接预测与节点分类任务中,超越16种代表性基线方法。

原文摘要 · Abstract (English)

Graph self-supervised learning has gained significant attention recently. However, many existing approaches heavily depend on perturbations, and inappropriate perturbations may corrupt the graph's inherent information. The Vector Quantized Variational Autoencoder (VQ-VAE) is a powerful autoencoder extensively used in fields such as computer vision; however, its application to graph data remains underexplored. In this paper, we provide an empirical analysis of vector quantization in the context of graph autoencoders, demonstrating its significant enhancement of the model's capacity to capture graph topology. Furthermore, we identify two key challenges associated with vector quantization when applying in graph data: codebook underutilization and codebook space sparsity. For the first challenge, we propose an annealing-based encoding strategy that promotes broad code utilization in the early stages of training, gradually shifting focus toward the most effective codes as training progresses. For the second challenge, we introduce a hierarchical two-layer codebook that captures relationships between embeddings through clustering. The second layer codebook links similar codes, encouraging the model to learn closer embeddings for nodes with similar features and structural topology in the graph. Our proposed model outperforms 16 representative baseline methods in self-supervised link prediction and node classification tasks across multiple datasets.

图神经网络自监督学习向量量化码本设计

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