AKBR: Learning Adaptive Kernel-based Representations for Graph Classification
AKBR: Learning Adaptive Kernel-based Representations for Graph Classification
Lu Bai, Feifei Qian, Lixin Cui, Ming Li, Hangyuan Du, Yue Wang, Edwin Hancock
Proceedings of the Thirty-Fourth International Joint Conference on Artificial Intelligence
Main Track. Pages 2703-2712.
https://doi.org/10.24963/ijcai.2025/301
In this paper, we propose a new model to learn Adaptive Kernel-based Representations (AKBR) for graph classification. Unlike state-of-the-art R-convolution graph kernels that are defined by merely counting any pair of isomorphic substructures between graphs and cannot provide an end-to-end learning mechanism for the classifier, the proposed AKBR approach aims to define an end-to-end representation learning model to construct an adaptive kernel matrix for graphs. To this end, we commence by leveraging a novel feature-channel attention mechanism to capture the interdependencies between different substructure invariants of original graphs. The proposed AKBR model can thus effectively identify the structural importance of different substructures, and compute the R-convolution kernel between pairwise graphs associated with the more significant substructures specified by their structural attentions. Furthermore, the proposed AKBR model employs all sample graphs as the prototype graphs, naturally providing an end-to-end learning architecture between the kernel computation as well as the classifier. Experimental results show that the proposed AKBR model outperforms existing state-of-the-art graph kernels and deep learning methods on standard graph benchmarks.
Keywords:
Data Mining: DM: Mining graphs
Machine Learning: ML: Classification
Machine Learning: ML: Deep learning architectures
Machine Learning: ML: Kernel methods
