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With the increasing use of Graph Neural Networks (GNNs) in critical real-world applications, several post hoc explanation methods have been proposed to understand their predictions. However, there has been no work in generating explanations…

Machine Learning · Computer Science 2022-12-02 Valentina Giunchiglia , Chirag Varun Shukla , Guadalupe Gonzalez , Chirag Agarwal

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

Machine Learning · Computer Science 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

Graph Neural Networks (GNNs) have established themselves as the preferred methodology in a multitude of domains, ranging from computer vision to computational biology, especially in contexts where data inherently conform to graph…

Machine Learning · Computer Science 2024-04-05 Yifan Qu , Oliver Krzysik , Hans De Sterck , Omer Ege Kara

Deep Graph Neural Networks struggle with oversmoothing. This paper introduces a novel, physics-inspired GNN model designed to mitigate this issue. Our approach integrates with existing GNN architectures, introducing an entropy-aware message…

Machine Learning · Computer Science 2024-03-08 Philipp Nazari , Oliver Lemke , Davide Guidobene , Artiom Gesp

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

Graph neural networks (GNNs) have shown remarkable performance on diverse graph mining tasks. Although different GNNs can be unified as the same message passing framework, they learn complementary knowledge from the same graph. Knowledge…

Machine Learning · Computer Science 2023-04-06 Zhichun Guo , Chunhui Zhang , Yujie Fan , Yijun Tian , Chuxu Zhang , Nitesh Chawla

Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the…

Machine Learning · Computer Science 2021-05-27 Keyulu Xu , Mozhi Zhang , Stefanie Jegelka , Kenji Kawaguchi

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

The network embedding problem that maps nodes in a graph to vectors in Euclidean space can be very useful for addressing several important tasks on a graph. Recently, graph neural networks (GNNs) have been proposed for solving such a…

Machine Learning · Computer Science 2020-09-23 Ping-En Lu , Cheng-Shang Chang

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

Machine Learning · Computer Science 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Graph convolutional networks have been successfully applied in various graph-based tasks. In a typical graph convolutional layer, node features are updated by aggregating neighborhood information. Repeatedly applying graph convolutions can…

Machine Learning · Computer Science 2022-07-11 Haimin Zhang , Min Xu , Guoqiang Zhang , Kenta Niwa

Scalability of graph neural networks remains one of the major challenges in graph machine learning. Since the representation of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes…

Machine Learning · Computer Science 2021-06-10 Zengfeng Huang , Shengzhong Zhang , Chong Xi , Tang Liu , Min Zhou

Despite Graph Neural Networks demonstrating considerable promise in graph representation learning tasks, GNNs predominantly face significant issues with over-fitting and over-smoothing as they go deeper as models of computer vision realm.…

Machine Learning · Computer Science 2023-08-22 Kun Wang , Guohao Li , Shilong Wang , Guibin Zhang , Kai Wang , Yang You , Xiaojiang Peng , Yuxuan Liang , Yang Wang

Graph convolutional networks (GCNs) have recently achieved great empirical success in learning graph-structured data. To address its scalability issue due to the recursive embedding of neighboring features, graph topology sampling has been…

Machine Learning · Computer Science 2023-12-12 Hongkang Li , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Graph neural networks (GNNs) are a powerful solution for various structure learning applications due to their strong representation capabilities for graph data. However, traditional GNNs, relying on message-passing mechanisms that gather…

Machine Learning · Computer Science 2024-03-19 Wei Duan , Jie Lu , Yu Guang Wang , Junyu Xuan

Semi-supervised node classification on graphs is an important research problem, with many real-world applications in information retrieval such as content classification on a social network and query intent classification on an e-commerce…

Machine Learning · Computer Science 2022-03-29 Zhihao Wen , Yuan Fang , Zemin Liu

The performance of GNNs degrades as they become deeper due to the over-smoothing. Among all the attempts to prevent over-smoothing, residual connection is one of the promising methods due to its simplicity. However, recent studies have…

Machine Learning · Computer Science 2022-05-31 Jie Chen , Weiqi Liu , Zhizhong Huang , Junbin Gao , Junping Zhang , Jian Pu

Graph Transformers (GTs) have emerged as a promising graph learning tool, leveraging their all-pair connected property to effectively capture global information. To address the over-smoothing problem in deep GNNs, global attention was…

Machine Learning · Computer Science 2025-12-17 Chaohao Yuan , Zhenjie Song , Ercan Engin Kuruoglu , Kangfei Zhao , Yang Liu , Deli Zhao , Hong Cheng , Yu Rong

Graph Neural Networks (GNNs) have shown great promise in tasks like node and graph classification, but they often struggle to generalize, particularly to unseen or out-of-distribution (OOD) data. These challenges are exacerbated when…