arXiv:2503.15853cs.LG2025-03被引 1

NEExT 用可解释特征快速生成图嵌入,适合无标签图数据的分析。

Network Embedding Exploration Tool (NEExT)

  • 用户自定义节点特征,提升可解释性
  • 在真实与合成图上实现媲美顶尖方法的分类性能
  • 支持有监督和无监督场景,适合缺乏标签的图分析

现实世界和人工系统中的许多过程可表示为图,如社交网络、金融交易、供应链和分子结构。在这些场景中,常需处理一组相关图,例如不同蛋白质结构或同一网络随时间演化的动态图。一个常见挑战是图或节点缺乏真实标签,需依赖无监督方法。即使有标签,现有图机器学习方法多依赖复杂深度模型,影响可解释性。为此,我们提出 NEExT(Network Embedding Exploration Tool),通过用户自定义节点特征对图集合进行嵌入。该框架优势在于:(i) 可根据任务灵活定义可解释的节点特征;(ii) 借助 Vectorizers 库实现快速图嵌入。本文展示了 NEExT 在合成与真实图数据集上的有效性。在有监督任务中,其图分类性能可与当前最先进方法相当,同时保持模型可解释性。此外,该框架也可在无标签情况下生成高质量嵌入。

原文摘要 · Abstract (English)

Many real-world and artificial systems and processes can be represented as graphs. Some examples of such systems include social networks, financial transactions, supply chains, and molecular structures. In many of these cases, one needs to consider a collection of graphs, rather than a single network. This could be a collection of distinct but related graphs, such as different protein structures or graphs resulting from dynamic processes on the same network. Examples of the latter include the evolution of social networks, community-induced graphs, or ego-nets around various nodes. A significant challenge commonly encountered is the absence of ground-truth labels for graphs or nodes, necessitating the use of unsupervised techniques to analyze such systems. Moreover, even when ground-truth labels are available, many existing graph machine learning methods depend on complex deep learning models, complicating model explainability and interpretability. To address some of these challenges, we have introduced NEExT (Network Embedding Exploration Tool) for embedding collections of graphs via user-defined node features. The advantages of the framework are twofold: (i) the ability to easily define your own interpretable node-based features in view of the task at hand, and (ii) fast embedding of graphs provided by the Vectorizers library. In this paper, we demonstrate the usefulness of NEExT on collections of synthetic and real-world graphs. For supervised tasks, we demonstrate that performance in graph classification tasks could be achieved similarly to other state-of-the-art techniques while maintaining model interpretability. Furthermore, our framework can also be used to generate high-quality embeddings in an unsupervised way, where target variables are not available.

图嵌入可解释性无监督学习

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