arXiv:2412.17591cs.LGstat.ML2024-12中稿 · the 18th ACM Inter…被引 2

解决图数据大小不均问题,提升小图分类性能

Graph Size-imbalanced Learning with Energy-guided Structural Smoothing

  • 构建图间关联的抽象图,平滑头尾图结构差异
  • 基于能量传播重加权,缓解小图特征不匹配问题
  • 在5个公开数据集上显著优于现有方法

图是表示实体间关系的常见数据结构,广泛用于分子、社交网络等系统建模。然而,现实世界中的图在多图分类任务中常呈现节点数分布长尾现象,即大小图数量极不平衡。现有研究发现,通用图神经网络(GNN)在此类设置下性能显著下降。本文分析发现,长尾分布会加剧图结构特征的差异。为此,提出名为SIMBA的能量引导式大小不均衡学习框架,通过构建基于图间相关性的高层抽象图(Graphs-to-Graph),连接独立图并平滑结构差异;同时设计基于能量传播的消息传递信念传播方法,在训练中对低兼容性图进行重加权,并进一步缓解局部特征偏差。在五个公开大小不均衡数据集上的实验表明,该方法在图分类任务中具有优越性能。

原文摘要 · Abstract (English)

Graph is a prevalent data structure employed to represent the relationships between entities, frequently serving as a tool to depict and simulate numerous systems, such as molecules and social networks. However, real-world graphs usually suffer from the size-imbalanced problem in the multi-graph classification, i.e., a long-tailed distribution with respect to the number of nodes. Recent studies find that off-the-shelf Graph Neural Networks (GNNs) would compromise model performance under the long-tailed settings. We investigate this phenomenon and discover that the long-tailed graph distribution greatly exacerbates the discrepancies in structural features. To alleviate this problem, we propose a novel energy-based size-imbalanced learning framework named \textbf{SIMBA}, which smooths the features between head and tail graphs and re-weights them based on the energy propagation. Specifically, we construct a higher-level graph abstraction named \textit{Graphs-to-Graph} according to the correlations between graphs to link independent graphs and smooths the structural discrepancies. We further devise an energy-based message-passing belief propagation method for re-weighting lower compatible graphs in the training process and further smooth local feature discrepancies. Extensive experimental results over five public size-imbalanced datasets demonstrate the superior effectiveness of the model for size-imbalanced graph classification tasks.

图神经网络长尾分布图分类

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