arXiv:2505.14867stat.MLcs.LG2025-05被引 1

用局部自举法优化图神经网络无监督表示的超参,提升模型稳定性与性能。

LOBSTUR: A Local Bootstrap Framework for Tuning Unsupervised Representations in Graph Neural Networks

  • 基于局部图结构自举生成替代图,适配无监督学习场景
  • 通过典型相关分析评估嵌入一致性,实现无需标签的模型优选
  • 在真实场景验证有效,较盲目调参提升65.9%分类准确率

图神经网络(GNN)常与无监督学习结合以提取强大节点表征,但其部署受限于对超参数敏感及缺乏最优模型选择方法。为此,本文提出 LOBSTUR-GNN(Local Bootstrap for Tuning Unsupervised Representations in GNNs),一种将自举技术适配至无监督图表示学习的新框架。该框架解决两大挑战:(a) 调整自举边与特征重采样过程,以捕捉局部图依赖关系并生成同图的替代版本;(b) 在无真实标签条件下建立稳健的表征评估指标。通过局部自举重采样与典型相关分析(CCA)评估嵌入一致性,LOBSTUR为无监督GNN提供系统性超参调优路径。在多个主流学术数据集上进行大量实验,结果表明相较未优化的超参数选择,分类准确率提升65.9%。最后,在真实应用中部署该框架,验证其在多种场景下的有效性与实用性。

原文摘要 · Abstract (English)

Graph Neural Networks (GNNs) are increasingly used in conjunction with unsupervised learning techniques to learn powerful node representations, but their deployment is hindered by their high sensitivity to hyperparameter tuning and the absence of established methodologies for selecting the optimal models. To address these challenges, we propose LOBSTUR-GNN ({\bf Lo}cal {\bf B}oot{\bf s}trap for {\bf T}uning {\bf U}nsupervised {\bf R}epresentations in GNNs) i), a novel framework designed to adapt bootstrapping techniques for unsupervised graph representation learning. LOBSTUR-GNN tackles two main challenges: (a) adapting the bootstrap edge and feature resampling process to account for local graph dependencies in creating alternative versions of the same graph, and (b) establishing robust metrics for evaluating learned representations without ground-truth labels. Using locally bootstrapped resampling and leveraging Canonical Correlation Analysis (CCA) to assess embedding consistency, LOBSTUR provides a principled approach for hyperparameter tuning in unsupervised GNNs. We validate the effectiveness and efficiency of our proposed method through extensive experiments on established academic datasets, showing an 65.9\% improvement in the classification accuracy compared to an uninformed selection of hyperparameters. Finally, we deploy our framework on a real-world application, thereby demonstrating its validity and practical utility in various settings. \footnote{The code is available at \href{https://github.com/sowonjeong/lobstur-graph-bootstrap}{github.com/sowonjeong/lobstur-graph-bootstrap}.}

图神经网络无监督学习超参调优自举方法

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