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Invariant graph representation learning aims to learn the invariance among data from different environments for out-of-distribution generalization on graphs. As the graph environment partitions are usually expensive to obtain, augmenting…

Machine Learning · Computer Science 2023-10-31 Yongqiang Chen , Yatao Bian , Kaiwen Zhou , Binghui Xie , Bo Han , James Cheng

Massive deployment of Graph Neural Networks (GNNs) in high-stake applications generates a strong demand for explanations that are robust to noise and align well with human intuition. Most existing methods generate explanations by…

Machine Learning · Computer Science 2022-07-14 Mohit Bajaj , Lingyang Chu , Zi Yu Xue , Jian Pei , Lanjun Wang , Peter Cho-Ho Lam , Yong Zhang

Graph neural networks (GNNs) have achieved remarkable performance on graph-structured data. However, GNNs may inherit prejudice from the training data and make discriminatory predictions based on sensitive attributes, such as gender and…

Machine Learning · Computer Science 2024-01-31 Yibo Li , Xiao Wang , Yujie Xing , Shaohua Fan , Ruijia Wang , Yaoqi Liu , Chuan Shi

Graph Neural Networks (GNNs) have demonstrated significant success in learning from graph-structured data across various domains. Despite their great successful, one critical challenge is often overlooked by existing works, i.e., the…

Machine Learning · Computer Science 2024-02-15 Tianxiang Zhao , Xiang Zhang , Suhang Wang

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks,…

Machine Learning · Computer Science 2019-10-04 Wataru Kawai , Yusuke Mukuta , Tatsuya Harada

Graph neural networks (GNNs) have been increasingly deployed in various applications that involve learning on non-Euclidean data. However, recent studies show that GNNs are vulnerable to graph adversarial attacks. Although there are several…

Machine Learning · Computer Science 2023-01-10 Chenhui Deng , Xiuyu Li , Zhuo Feng , Zhiru Zhang

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Previous studies have demonstrated the strong performance of Graph Neural Networks (GNNs) in node classification. However, most existing GNNs adopt a node-centric perspective and rely on global message passing, leading to high computational…

Machine Learning · Computer Science 2026-01-14 Qian Zeng , Xin Lin , Jingyi Gao , Yang Yu

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of…

Machine Learning · Computer Science 2021-01-29 Meiqi Zhu , Xiao Wang , Chuan Shi , Houye Ji , Peng Cui

Neural networks often struggle with high-dimensional but small sample-size tabular datasets. One reason is that current weight initialisation methods assume independence between weights, which can be problematic when there are insufficient…

Machine Learning · Computer Science 2024-08-20 Andrei Margeloiu , Nikola Simidjievski , Pietro Lio , Mateja Jamnik

In this paper, we propose Graph Retention Networks (GRNs) as a unified architecture for deep learning on dynamic graphs. The GRN extends the concept of retention into dynamic graph data as graph retention, equipping the model with three key…

Machine Learning · Computer Science 2026-04-14 Qian Chang , Xia Li , Xiufeng Cheng , Runsong Jia , Jinqing Yang , Guoping Hu , Ciprian Doru Giurcaneanu

We present GraphMix, a regularization method for Graph Neural Network based semi-supervised object classification, whereby we propose to train a fully-connected network jointly with the graph neural network via parameter sharing and…

Machine Learning · Computer Science 2020-10-12 Vikas Verma , Meng Qu , Kenji Kawaguchi , Alex Lamb , Yoshua Bengio , Juho Kannala , Jian Tang

In search of robust and generalizable machine learning models, Domain Generalization (DG) has gained significant traction during the past few years. The goal in DG is to produce models which continue to perform well when presented with data…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Aristotelis Ballas , Christos Diou

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Graph generation is a fundamental task with broad applications, such as drug discovery. Recently, discrete flow matching-based graph generation, \aka, graph flow model (GFM), has emerged due to its superior performance and flexible…

Machine Learning · Computer Science 2026-03-12 Baoheng Zhu , Deyu Bo , Delvin Ce Zhang , Xiao Wang

How can we accurately classify graphs? Graph classification is a pivotal task in data mining with applications in social network analysis, web analysis, drug discovery, molecular property prediction, etc. Graph neural networks have achieved…

Machine Learning · Computer Science 2025-03-28 Minjun Kim , Jaehyeon Choi , SeungJoo Lee , Jinhong Jung , U Kang

Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…

Machine Learning · Computer Science 2020-02-20 Weihua Hu , Bowen Liu , Joseph Gomes , Marinka Zitnik , Percy Liang , Vijay Pande , Jure Leskovec

Graph Neural Networks (GNNs) often suffer from weak-generalization due to sparsely labeled data despite their promising results on various graph-based tasks. Data augmentation is a prevalent remedy to improve the generalization ability of…

Machine Learning · Computer Science 2022-03-29 Hyeonjin Park , Seunghun Lee , Sihyeon Kim , Jinyoung Park , Jisu Jeong , Kyung-Min Kim , Jung-Woo Ha , Hyunwoo J. Kim

Graph neural networks are emerging as continuation of deep learning success w.r.t. graph data. Tens of different graph neural network variants have been proposed, most following a neighborhood aggregation scheme, where the node features are…

Machine Learning · Computer Science 2021-02-09 Dawei Leng , Jinjiang Guo , Lurong Pan , Jie Li , Xinyu Wang