J. Lee

Junhyun Lee, Bumsoo Kim, Minji Jeon et al.

Graph Neural Networks (GNNs) have proven to be effective in processing and learning from graph-structured data. However, previous works mainly focused on understanding single graph inputs while many real-world applications require pair-wise analysis for graph-structured data (e.g., scene graph matching, code searching, and drug-drug interaction prediction). To this end, recent works have shifted their focus to learning the interaction between pairs of graphs. Despite their improved performance, these works were still limited in that the interactions were considered at the node-level, resulting in high computational costs and suboptimal performance. To address this issue, we propose a novel and efficient graph-level approach for extracting interaction representations using co-attention in graph pooling. Our method, Co-Attention Graph Pooling (CAGPool), exhibits competitive performance relative to existing methods in both classification and regression tasks using real-world datasets, while maintaining lower computational complexity.

Junhyun Lee, Veronika Thost, Bumsoo Kim et al.

Message Passing Neural Networks (MPNNs) hold a key position in machine learning on graphs, but they struggle with unintended behaviors, such as over-smoothing and over-squashing, due to irregular data structures. The observation and formulation of these limitations have become foundational in constructing more informative graph representations. In this paper, we delve into the limitations of MPNNs, focusing on aspects that have previously been overlooked. Our observations reveal that even within a single layer, the information specific to an individual node can become significantly diluted. To delve into this phenomenon in depth, we present the concept of Over-dilution and formulate it with two dilution factors: intra-node dilution for attribute-level and inter-node dilution for node-level representations. We also introduce a transformer-based solution that alleviates over-dilution and complements existing node embedding methods like MPNNs. Our findings provide new insights and contribute to the development of informative representations. The implementation and supplementary materials are publicly available at https://github.com/LeeJunHyun/NATR.