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In this work we develop a new method, named Sub-graph Permutation Equivariant Networks (SPEN), which provides a framework for building graph neural networks that operate on sub-graphs, while using a base update function that is permutation…

Machine Learning · Computer Science 2022-10-18 Joshua Mitton , Roderick Murray-Smith

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

Graph Neural Network (GNN), with the main idea of encoding graph structure information of graphs by propagation and aggregation, has developed rapidly. It achieved excellent performance in representation learning of multiple types of graphs…

Machine Learning · Computer Science 2024-07-04 Yushan Zhu , Wen Zhang , Yajing Xu , Zhen Yao , Mingyang Chen , Huajun Chen

Graph Neural Networks (GNNs) achieve state-of-the-art performance in various graph-related tasks. However, the black-box nature often limits their interpretability and trustworthiness. Numerous explainability methods have been proposed to…

Machine Learning · Computer Science 2023-11-13 Jialin Chen , Kenza Amara , Junchi Yu , Rex Ying

Edge intelligence has arisen as a promising computing paradigm for supporting miscellaneous smart applications that rely on machine learning techniques. While the community has extensively investigated multi-tier edge deployment for…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-01 Liekang Zeng , Chongyu Yang , Peng Huang , Zhi Zhou , Shuai Yu , Xu Chen

Graph Neural Networks (GNNs) have led to state-of-the-art performance on a variety of machine learning tasks such as recommendation, node classification and link prediction. Graph neural network models generate node embeddings by merging…

Machine Learning · Computer Science 2020-11-04 Yunpeng Weng , Xu Chen , Liang Chen , Wei Liu

The expressive power of Graph Neural Networks (GNNs) has been studied extensively through the Weisfeiler-Leman (WL) graph isomorphism test. However, standard GNNs and the WL framework are inapplicable for geometric graphs embedded in…

Machine Learning · Computer Science 2024-03-05 Chaitanya K. Joshi , Cristian Bodnar , Simon V. Mathis , Taco Cohen , Pietro Liò

Graph neural networks (GNNs) are commonly described as being permutation equivariant with respect to node relabeling in the graph. This symmetry of GNNs is often compared to the translation equivariance of Euclidean convolution neural…

Machine Learning · Statistics 2023-11-20 Ningyuan Huang , Ron Levie , Soledad Villar

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks…

Machine Learning · Computer Science 2021-09-29 Yaoman Li , Irwin King

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Machine Learning · Computer Science 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

Despite significant advances in Graph Neural Networks (GNNs), their limited expressivity remains a fundamental challenge. Research on GNN expressivity has produced many expressive architectures, leading to architecture hierarchies with…

Machine Learning · Computer Science 2025-10-06 Yam Eitan , Moshe Eliasof , Yoav Gelberg , Fabrizio Frasca , Guy Bar-Shalom , Haggai Maron

Message passing has evolved as an effective tool for designing Graph Neural Networks (GNNs). However, most existing methods for message passing simply sum or average all the neighboring features to update node representations. They are…

Machine Learning · Computer Science 2022-06-17 Rui Yang , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

Machine Learning · Statistics 2022-06-14 Hamed Shirzad , Kaveh Hassani , Danica J. Sutherland

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Message passing Graph Neural Networks (GNNs) provide a powerful modeling framework for relational data. However, the expressive power of existing GNNs is upper-bounded by the 1-Weisfeiler-Lehman (1-WL) graph isomorphism test, which means…

Machine Learning · Computer Science 2021-02-08 Jiaxuan You , Jonathan Gomes-Selman , Rex Ying , Jure Leskovec

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Machine Learning · Computer Science 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations,…

Machine Learning · Computer Science 2024-07-09 Yu Huang , Min Zhou , Menglin Yang , Zhen Wang , Muhan Zhang , Jie Wang , Hong Xie , Hao Wang , Defu Lian , Enhong Chen

Geometric deep learning has made great strides towards generalizing the design of structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise to graph neural networks (GNN) that can be applied to…

Machine Learning · Statistics 2024-10-28 Frederik Wenkel , Yimeng Min , Matthew Hirn , Michael Perlmutter , Guy Wolf

Graph neural networks (GNNs) have been widely investigated in the field of semi-supervised graph machine learning. Most methods fail to exploit adequate graph information when labeled data is limited, leading to the problem of…

Machine Learning · Computer Science 2023-03-15 Linxuan Song , Wenxuan Tu , Sihang Zhou , Xinwang Liu , En Zhu