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To alleviate the local receptive issue of GCN, Transformers have been exploited to capture the long range dependences of nodes for graph data representation and learning. However, existing graph Transformers generally employ regular…

Machine Learning · Computer Science 2023-05-15 Bo Jiang , Fei Xu , Ziyan Zhang , Jin Tang , Feiping Nie

Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to…

Machine Learning · Computer Science 2022-02-22 Tuan Le , Marco Bertolini , Frank Noé , Djork-Arné Clevert

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a…

Machine Learning · Computer Science 2024-02-13 Bohang Zhang , Shengjie Luo , Liwei Wang , Di He

Recently, Graph Transformers have emerged as a promising solution to alleviate the inherent limitations of Graph Neural Networks (GNNs) and enhance graph representation performance. Unfortunately, Graph Transformers are computationally…

Neural and Evolutionary Computing · Computer Science 2024-03-26 Yundong Sun , Dongjie Zhu , Yansong Wang , Zhaoshuo Tian , Ning Cao , Gregory O'Hared

Graph transformers have emerged as a promising architecture for a variety of graph learning and representation tasks. Despite their successes, though, it remains challenging to scale graph transformers to large graphs while maintaining…

Machine Learning · Computer Science 2023-07-25 Hamed Shirzad , Ameya Velingker , Balaji Venkatachalam , Danica J. Sutherland , Ali Kemal Sinop

In heterophilic graphs, where neighboring nodes often belong to different classes, conventional Graph Neural Networks (GNNs) struggle due to their reliance on local homophilous neighborhoods. Prior studies suggest that modeling edge…

Machine Learning · Computer Science 2025-09-03 Arman Gupta , Govind Waghmare , Gaurav Oberoi , Nitish Srivastava

Graph neural network (GNN) has shown superior performance in dealing with graphs, which has attracted considerable research attention recently. However, most of the existing GNN models are primarily designed for graphs in Euclidean spaces.…

Machine Learning · Computer Science 2019-12-09 Yiding Zhang , Xiao Wang , Xunqiang Jiang , Chuan Shi , Yanfang Ye

Graph Neural Networks (GNNs) have shown impressive performance in graph representation learning, but they face challenges in capturing long-range dependencies due to their limited expressive power. To address this, Graph Transformers (GTs)…

Machine Learning · Computer Science 2024-06-19 Kaan Sancak , Zhigang Hua , Jin Fang , Yan Xie , Andrey Malevich , Bo Long , Muhammed Fatih Balin , Ümit V. Çatalyürek

Discrete-Time Dynamic Graphs (DTDGs), which are prevalent in real-world implementations and notable for their ease of data acquisition, have garnered considerable attention from both academic researchers and industry practitioners. The…

Machine Learning · Computer Science 2024-07-29 Xi Chen , Yun Xiong , Siwei Zhang , Jiawei Zhang , Yao Zhang , Shiyang Zhou , Xixi Wu , Mingyang Zhang , Tengfei Liu , Weiqiang Wang

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

Machine Learning · Computer Science 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Machine Learning · Computer Science 2021-05-04 Jing Huang , Jie Yang

Graph Transformer (GT) recently has emerged as a new paradigm of graph learning algorithms, outperforming the previously popular Message Passing Neural Network (MPNN) on multiple benchmarks. Previous work (Kim et al., 2022) shows that with…

Machine Learning · Computer Science 2023-06-22 Chen Cai , Truong Son Hy , Rose Yu , Yusu Wang

Graph neural networks (GNNs) have recently become the standard approach for learning with graph-structured data. Prior work has shed light into their potential, but also their limitations. Unfortunately, it was shown that standard GNNs are…

Machine Learning · Computer Science 2023-06-12 Gaspard Michel , Giannis Nikolentzos , Johannes Lutzeyer , Michalis Vazirgiannis

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge…

Machine Learning · Computer Science 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph learning architectures based on the k-dimensional Weisfeiler-Leman (k-WL) hierarchy offer a theoretically well-understood expressive power. However, such architectures often fail to deliver solid predictive performance on real-world…

Machine Learning · Computer Science 2024-11-11 Luis Müller , Daniel Kusuma , Blai Bonet , Christopher Morris

We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only…

Machine Learning · Computer Science 2023-02-28 Zhaoning Yu , Hongyang Gao

In recent years, a wide variety of graph neural network (GNN) architectures have emerged, each with its own strengths, weaknesses, and complexities. Various techniques, including rewiring, lifting, and node annotation with centrality…

Machine Learning · Computer Science 2024-10-14 Zhifei Li , Gerrit Großmann , Verena Wolf

Graph Transformers (GTs) such as SAN and GPS are graph processing models that combine Message-Passing GNNs (MPGNNs) with global Self-Attention. They were shown to be universal function approximators, with two reservations: 1. The initial…

Machine Learning · Computer Science 2024-05-21 Eran Rosenbluth , Jan Tönshoff , Martin Ritzert , Berke Kisin , Martin Grohe

Graph Neural Networks (GNNs) are powerful tools for learning on structured data, yet the relationship between their expressivity and predictive performance remains unclear. We introduce a family of premetrics that capture different degrees…

Machine Learning · Computer Science 2025-05-19 Sohir Maskey , Raffaele Paolino , Fabian Jogl , Gitta Kutyniok , Johannes F. Lutzeyer