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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

This extended abstract describes a framework for analyzing the expressiveness, learning, and (structural) generalization of hypergraph neural networks (HyperGNNs). Specifically, we focus on how HyperGNNs can learn from finite datasets and…

Machine Learning · Computer Science 2023-03-10 Zhezheng Luo , Jiayuan Mao , Joshua B. Tenenbaum , Leslie Pack Kaelbling

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

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

Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…

Machine Learning · Computer Science 2025-12-29 Chengyu Tian , Wenbin Pei

A large body of work has investigated the properties of graph neural networks and identified several limitations, particularly pertaining to their expressive power. Their inability to count certain patterns (e.g., cycles) in a graph lies at…

Machine Learning · Computer Science 2024-06-11 Emily Jin , Michael Bronstein , İsmail İlkan Ceylan , Matthias Lanzinger

Graph Neural Networks (GNNs) show strong expressive power on graph data mining, by aggregating information from neighbors and using the integrated representation in the downstream tasks. The same aggregation methods and parameters for each…

Machine Learning · Computer Science 2022-03-22 Xiaojun Ma , Qin Chen , Yuanyi Ren , Guojie Song , Liang Wang

Most of the current hypergraph learning methodologies and benchmarking datasets in the hypergraph realm are obtained by lifting procedures from their graph analogs, leading to overshadowing specific characteristics of hypergraphs. This…

Artificial Intelligence · Computer Science 2025-03-19 Lev Telyatnikov , Maria Sofia Bucarelli , Guillermo Bernardez , Olga Zaghen , Simone Scardapane , Pietro Lio

Molecular interactions often involve high-order relationships that cannot be fully captured by traditional graph-based models limited to pairwise connections. Hypergraphs naturally extend graphs by enabling multi-way interactions, making…

Machine Learning · Computer Science 2025-05-12 Tien Dang , Truong-Son Hy

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns,…

Machine Learning · Computer Science 2025-02-26 Jinluan Yang , Zhengyu Chen , Teng Xiao , Wenqiao Zhang , Yong Lin , Kun Kuang

Real-world graphs are typically complex, exhibiting heterogeneity in the global structure, as well as strong heterophily within local neighborhoods. While a growing body of literature has revealed the limitations of common graph neural…

Machine Learning · Computer Science 2023-10-19 Jintang Li , Zheng Wei , Jiawang Dan , Jing Zhou , Yuchang Zhu , Ruofan Wu , Baokun Wang , Zhang Zhen , Changhua Meng , Hong Jin , Zibin Zheng , Liang Chen

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

We propose high-order hypergraph walks as a framework to generalize graph-based network science techniques to hypergraphs. Edge incidence in hypergraphs is quantitative, yielding hypergraph walks with both length and width. Graph methods…

Physics and Society · Physics 2020-06-09 Sinan G. Aksoy , Cliff Joslyn , Carlos Ortiz Marrero , Brenda Praggastis , Emilie Purvine

A hallmark of graph neural networks is their ability to distinguish the isomorphism class of their inputs. This study derives hardness results for the classification variant of graph isomorphism in the message-passing model (MPNN). MPNN…

Machine Learning · Computer Science 2020-10-19 Andreas Loukas

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

Graph Neural Networks (GNNs) have achieved remarkable success across diverse applications, yet they remain limited by oversmoothing and poor performance on heterophilic graphs. To address these challenges, we introduce a novel framework…

Machine Learning · Computer Science 2025-11-19 Cristina López Amado , Tassilo Schwarz , Yu Tian , Renaud Lambiotte

Graph neural networks (GNNs) based on message passing between neighboring nodes are known to be insufficient for capturing long-range interactions in graphs. In this project we study hierarchical message passing models that leverage a…

Machine Learning · Computer Science 2021-08-17 Ladislav Rampášek , Guy Wolf

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

Complex systems are often driven by higher-order interactions among multiple units, naturally represented as hypergraphs. Understanding dependency structures within these hypergraphs is crucial for understanding and predicting the behavior…

Social and Information Networks · Computer Science 2025-05-29 John Hood , Caterina De Bacco , Aaron Schein

Hypergraph neural networks (HNNs) using neural networks to encode hypergraphs provide a promising way to model higher-order relations in data and further solve relevant prediction tasks built upon such higher-order relations. However,…

Machine Learning · Computer Science 2023-02-16 Peihao Wang , Shenghao Yang , Yunyu Liu , Zhangyang Wang , Pan Li
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