用可解释的结构特征提升图分类,不依赖黑箱训练。
Graph Classification via Network Usable Information: From Representation Evaluation to Structure Selection
- 基于传播机制与经典结构描述符构建可置换不变的图表示
- 传统中心性指标在多个数据集上表现优于学习型表示
- 无需训练即可评估表示质量,适合需要可解释性的场景
我们提出NetinfoGC框架,将网络可用信息(NUI)范式扩展至图级学习。不同于依赖端到端训练的黑箱嵌入方法,NetinfoGC通过传播机制和经典结构描述符(包括图中心性度量)构建一组置换不变的图表示。为评估表示质量,我们提出一种无需训练的NUI估计方法,基于聚类一致性与真实标签比较,提供任务相关信息的代理指标。进一步利用稀疏组LASSO正则化,自动筛选有信息量的结构描述符并抑制冗余项。在基准数据集上的实验表明,经典中心性度量与学习型传播表示相当,甚至在部分情况下表现更优。同时,估计的NUI与下游分类准确率呈强相关,验证了NUI作为表示效用度量的有效性。整体上,NetinfoGC提供了一个无需端到端神经训练的统一且可解释的图表示评估与利用框架。
原文摘要 · Abstract (English)
We propose NetinfoGC, a framework for graph classification that extends the Network Usable Information (NUI) paradigm to graph-level learning. Unlike conventional graph neural network approaches that rely on end-to-end training of black-box embeddings, NetinfoGC constructs a family of permutation-invariant graph representations derived from propagation-based mechanisms and classical structural descriptors, including graph centrality measures. To evaluate representation quality, we introduce a training-free NUI estimation procedure based on clustering consistency with ground-truth labels, providing a proxy for task-relevant information without supervised learning. We further exploit the same representations using sparse-group LASSO regularization, enabling automatic selection of informative structural descriptors while suppressing redundant ones. Experiments on benchmark datasets show that classical centrality measures are highly competitive with learned propagation-based representations, and in several cases yield superior performance. Moreover, we observe a strong correlation between estimated NUI and downstream classification accuracy, validating NUI as an effective measure of representation utility. Overall, NetinfoGC provides a unified and interpretable framework for evaluating and exploiting graph representations without requiring end-to-end neural training.
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