Qing Wang

Shouheng Li, Dongwoo Kim, Qing Wang

In recent years, there has been a significant amount of research focused on expanding the expressivity of Graph Neural Networks (GNNs) beyond the Weisfeiler-Lehman (1-WL) framework. While many of these studies have yielded advancements in expressivity, they have frequently come at the expense of decreased efficiency or have been restricted to specific types of graphs. In this study, we investigate the expressivity of GNNs from the perspective of graph search. Specifically, we propose a new vertex colouring scheme and demonstrate that classical search algorithms can efficiently compute graph representations that extend beyond the 1-WL. We show the colouring scheme inherits useful properties from graph search that can help solve problems like graph biconnectivity. Furthermore, we show that under certain conditions, the expressivity of GNNs increases hierarchically with the radius of the search neighbourhood. To further investigate the proposed scheme, we develop a new type of GNN based on two search strategies, breadth-first search and depth-first search, highlighting the graph properties they can capture on top of 1-WL. Our code is available at https://github.com/seanli3/lvc.

Gathika Ratnayaka, James Nichols, Qing Wang

Partial graph matching extends traditional graph matching by allowing some nodes to remain unmatched, enabling applications in more complex scenarios. However, this flexibility introduces additional complexity, as both the subset of nodes to match and the optimal mapping must be determined. While recent studies have explored deep learning techniques for partial graph matching, a significant limitation remains: the absence of an optimization objective that fully captures the problem's intrinsic nature while enabling efficient solutions. In this paper, we propose a novel optimization framework for partial graph matching, inspired by optimal partial transport. Our approach formulates an objective that enables partial assignments while incorporating matching biases, using weighted total variation as the divergence function to guarantee optimal partial assignments. Our method can achieve efficient, exact solutions within cubic worst case time complexity. Our contributions are threefold: (i) we introduce a novel optimization objective that balances matched and unmatched nodes; (ii) we establish a connection between partial graph matching and linear sum assignment problem, enabling efficient solutions; (iii) we propose a deep graph matching architecture with a novel partial matching loss, providing an end-to-end solution. The empirical evaluations on standard graph matching benchmarks demonstrate the efficacy of the proposed approach.