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Graph spectra are an important class of structural features on graphs that have shown promising results in enhancing Graph Neural Networks (GNNs). Despite their widespread practical use, the theoretical understanding of the power of…

Machine Learning · Computer Science 2025-03-04 Jingchu Gai , Yiheng Du , Bohang Zhang , Haggai Maron , Liwei Wang

A large driver of the complexity of graph learning is the interplay between structure and features. When analyzing the expressivity of graph neural networks, however, existing approaches ignore features in favor of structure, making it…

Machine Learning · Computer Science 2026-03-04 Martin Carrasco , Olga Zaghen , Kavir Sumaraj , Erik Bekkers , Bastian Rieck

Subgraph isomorphism counting is an important problem on graphs, as many graph-based tasks exploit recurring subgraph patterns. Classical methods usually boil down to a backtracking framework that needs to navigate a huge search space with…

Machine Learning · Computer Science 2024-01-25 Xingtong Yu , Zemin Liu , Yuan Fang , Xinming Zhang

In recent years many algorithms have been developed for finding patterns in graphs and networks. A disadvantage of these algorithms is that they use subgraph isomorphism to determine the support of a graph pattern; subgraph isomorphism is a…

Data Structures and Algorithms · Computer Science 2015-03-19 Anton Dries , Siegfried Nijssen

Computing subgraph frequencies is a fundamental task that lies at the core of several network analysis methodologies, such as network motifs and graphlet-based metrics, which have been widely used to categorize and compare networks from…

Data Structures and Algorithms · Computer Science 2021-12-30 Pedro Ribeiro , Pedro Paredes , Miguel E. P. Silva , David Aparicio , Fernando Silva

Despite the celebrated popularity of Graph Neural Networks (GNNs) across numerous applications, the ability of GNNs to generalize remains less explored. In this work, we propose to study the generalization of GNNs through a novel…

Machine Learning · Computer Science 2024-04-17 Shouheng Li , Dongwoo Kim , Qing Wang

Graph homomorphism counts, first explored by Lov\'asz in 1967, have recently garnered interest as a powerful tool in graph-based machine learning. Grohe (PODS 2020) proposed the theoretical foundations for using homomorphism counts in…

Machine Learning · Computer Science 2023-11-21 Hinrikus Wolf , Luca Oeljeklaus , Pascal Kühner , Martin Grohe

Homomorphism is a key mapping technique between graphs that preserves their structure. Given a graph and a pattern, the subgraph homomorphism problem involves finding a mapping from the pattern to the graph, ensuring that adjacent vertices…

Artificial Intelligence · Computer Science 2025-12-18 Shuyang Guo , Wenjin Xie , Ping Lu , Ting Deng , Richong Zhang , Jianxin Li , Xiangping Huang , Zhongyi Liu

We investigate the representation power of graph neural networks in the semi-supervised node classification task under heterophily or low homophily, i.e., in networks where connected nodes may have different class labels and dissimilar…

Machine Learning · Computer Science 2020-10-26 Jiong Zhu , Yujun Yan , Lingxiao Zhao , Mark Heimann , Leman Akoglu , Danai Koutra

Hypergraphs provide a natural framework to model higher-order interactions in scientific, social, and biological systems. Hypergraph neural networks (HGNNs) aim to learn from such data, yet it remains unclear which higher-order structures…

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world…

Machine Learning · Computer Science 2023-10-17 Haitao Mao , Zhikai Chen , Wei Jin , Haoyu Han , Yao Ma , Tong Zhao , Neil Shah , Jiliang Tang

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Machine Learning · Computer Science 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

Representing graphs by their homomorphism counts has led to the beautiful theory of homomorphism indistinguishability in recent years. Moreover, homomorphism counts have promising applications in database theory and machine learning, where…

Data Structures and Algorithms · Computer Science 2023-10-16 Jan Böker , Louis Härtel , Nina Runde , Tim Seppelt , Christoph Standke

Counting small patterns in a large dataset is a fundamental algorithmic task. The most common version of this task is subgraph/homomorphism counting, wherein we count the number of occurrences of a small pattern graph $H$ in an input graph…

Data Structures and Algorithms · Computer Science 2025-10-21 Daniel Paul-Pena , C. Seshadhri

Graph neural networks (GNNs) have shown great prowess in learning representations suitable for numerous graph-based machine learning tasks. When applied to semi-supervised node classification, GNNs are widely believed to work well due to…

Machine Learning · Computer Science 2023-07-24 Yao Ma , Xiaorui Liu , Neil Shah , Jiliang Tang

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

Machine Learning · Computer Science 2025-01-13 Bingxu Zhang , Changjun Fan , Shixuan Liu , Kuihua Huang , Xiang Zhao , Jincai Huang , Zhong Liu

Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure…

Machine Learning · Computer Science 2024-01-17 Bohang Zhang , Jingchu Gai , Yiheng Du , Qiwei Ye , Di He , Liwei Wang

The ability of graph neural networks (GNNs) to count homomorphisms has recently been proposed as a practical and fine-grained measure of their expressive power. Although several existing works have investigated the homomorphism counting…

Machine Learning · Computer Science 2024-10-07 Junru Zhou , Muhan Zhang

In this paper, we study a new graph learning problem: learning to count subgraph isomorphisms. Different from other traditional graph learning problems such as node classification and link prediction, subgraph isomorphism counting is…

Machine Learning · Computer Science 2020-06-19 Xin Liu , Haojie Pan , Mutian He , Yangqiu Song , Xin Jiang , Lifeng Shang

We introduce graph motif parameters, a class of graph parameters that depend only on the frequencies of constant-size induced subgraphs. Classical works by Lov\'asz show that many interesting quantities have this form, including, for fixed…

Data Structures and Algorithms · Computer Science 2017-05-05 Radu Curticapean , Holger Dell , Dániel Marx
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