用图神经网络实现可推广的聚类,大幅提速且保持精度。
Inductive Correlation Clustering with Graph Neural Networks
- 用GNN学习图结构模式,实现对新图的快速聚类。
- 推理速度提升达5个数量级,精度仅比最优基线低10%。
- 适合需要快速处理大量新图的场景,如图分类中的池化层。
相关聚类(CC)是组合优化中一种自然的聚类形式,通过图表示输入数据,无需预先指定聚类数量。给定n个对象和成对相似性函数,目标是将相似对象分到同一簇,不相似对象分到不同簇。现有CC算法存在显著可扩展性问题,且本质上是传导式的:每次新实例都需从头计算。本文通过引入图神经网络(GNN),提出一种新型归纳式相关聚类方法,可处理未见图实例。训练过程中学习共有的结构模式与节点特征,使模型在来自相同分布的新图上泛化良好,计算开销远低于传统算法。实验表明,该框架在归纳设置下推理时间降低高达5个数量级,同时近似比保持在最佳基线的约10%以内;在标准(传导式)聚类基准上也表现良好。此外,我们展示了其作为图分类中可学习池化机制的实际应用,结果表明该方法能有效增强GNN捕捉网络层次结构信息的能力。
原文摘要 · Abstract (English)
Correlation Clustering (CC) is a natural formulation of clustering in combinatorial optimization, which uses a graph representation of the input and does not require a pre-specified number of clusters. Given $n$ objects and a pairwise similarity function, the goal is to cluster the objects so that similar objects are put in the same cluster and dissimilar objects are put in different clusters. Despite its versatility, existing CC algorithms suffer from significant scalability issues and are inherently transductive: i.e., the algorithm must be executed from scratch for any new problem instance. In this work, we bridge this gap by leveraging Graph Neural Networks (GNNs) to solve Inductive Correlation Clustering, a novel generalization of the CC problem designed to handle unseen graph instances. By learning to exploit common structural patterns and node features during training, our framework generalizes to new graphs drawn from the same distribution with minimal computational overhead with respect to standard algorithms. We demonstrate the effectiveness and scalability of our approach through extensive experiments. Our framework not only excels in the inductive setting, e.g., lowering the inference time up to $5$ order of magnitude, while maintaining an approximation ratio within $~10\%$ of the best baseline solution, but also achieves competitive results on standard (transductive) CC benchmarks. Finally, we showcase a practical application of our framework as a learnable pooling mechanism for graph classification. Our results indicate that our method serves as an efficient pooling layer, enhancing the ability of GNNs to capture hierarchical structural information in networks.
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