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Graph Neural Networks (GNNs) have emerged as potent tools for predicting outcomes in graph-structured data. Despite their efficacy, a significant drawback of GNNs lies in their limited ability to provide robust uncertainty estimates, posing…

Machine Learning · Computer Science 2025-03-26 S. Akansha

Graph Neural Networks (GNNs) are de facto node classification models in graph structured data. However, during testing-time, these algorithms assume no data shift, i.e., $\Pr_\text{train}(X,Y) = \Pr_\text{test}(X,Y)$. Domain adaption…

Machine Learning · Computer Science 2022-03-31 Qi Zhu , Chao Zhang , Chanyoung Park , Carl Yang , Jiawei Han

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 achieved remarkable success in various applications, but their performance can be sensitive to specific data properties of the graph datasets they operate on. Current literature on understanding the…

Machine Learning · Computer Science 2023-10-31 Ting Wei Li , Qiaozhu Mei , Jiaqi Ma

Graph convolutional neural networks (GCNNs) have emerged as powerful tools for analyzing graph-structured data, achieving remarkable success across diverse applications. However, the theoretical understanding of the stability of these…

Machine Learning · Computer Science 2025-10-28 Ning Zhang , Henry Kenlay , Li Zhang , Mihai Cucuringu , Xiaowen Dong

As powerful tools for representation learning on graphs, graph neural networks (GNNs) have facilitated various applications from drug discovery to recommender systems. Nevertheless, the effectiveness of GNNs is immensely challenged by…

Machine Learning · Computer Science 2023-02-28 Wei Jin , Tong Zhao , Jiayuan Ding , Yozen Liu , Jiliang Tang , Neil Shah

In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be…

Machine Learning · Computer Science 2023-11-02 Gleb Bazhenov , Denis Kuznedelev , Andrey Malinin , Artem Babenko , Liudmila Prokhorenkova

Graph neural networks (GNNs) have shown great prowess in learning representations suitable for numerous graph-based machine learning tasks. When applied to semi-supervised node classification, GNNs are widely believed to work well due to…

Machine Learning · Computer Science 2023-07-24 Yao Ma , Xiaorui Liu , Neil Shah , Jiliang Tang

Graph learning plays a pivotal role and has gained significant attention in various application scenarios, from social network analysis to recommendation systems, for its effectiveness in modeling complex data relations represented by graph…

Machine Learning · Computer Science 2024-03-08 Man Wu , Xin Zheng , Qin Zhang , Xiao Shen , Xiong Luo , Xingquan Zhu , Shirui Pan

Graph Neural Networks (GNNs) exhibit excellent performance when graphs have strong homophily property, i.e. connected nodes have the same labels. However, they perform poorly on heterophilic graphs. Several approaches address the issue of…

Machine Learning · Computer Science 2021-07-29 Vijay Lingam , Rahul Ragesh , Arun Iyer , Sundararajan Sellamanickam

Graph Neural Networks (GNNs) often struggle with heterophilic data, where connected nodes may have dissimilar labels, as they typically assume homophily and rely on local message passing. To address this, we propose creating alternative…

Machine Learning · Computer Science 2025-06-11 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Over the last few years, we have witnessed the availability of an increasing data generated from non-Euclidean domains, which are usually represented as graphs with complex relationships, and Graph Neural Networks (GNN) have gained a high…

Machine Learning · Computer Science 2023-08-15 Andrea Apicella , Francesco Isgrò , Andrea Pollastro , Roberto Prevete

In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain…

Machine Learning · Computer Science 2023-06-07 Shikun Liu , Tianchun Li , Yongbin Feng , Nhan Tran , Han Zhao , Qiu Qiang , Pan Li

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

Machine Learning · Computer Science 2025-04-07 Nikhil Shivakumar Nayak

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

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

Out-of-distribution (OOD) generalization has gained increasing attentions for learning on graphs, as graph neural networks (GNNs) often exhibit performance degradation with distribution shifts. The challenge is that distribution shifts on…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Fan Nie , Chenxiao Yang , Tianyi Bao , Junchi Yan

Graph is a flexible and effective tool to represent complex structures in practice and graph neural networks (GNNs) have been shown to be effective on various graph tasks with randomly separated training and testing data. In real…

Machine Learning · Computer Science 2021-10-11 Shengyu Zhang , Kun Kuang , Jiezhong Qiu , Jin Yu , Zhou Zhao , Hongxia Yang , Zhongfei Zhang , Fei Wu

Recent years have witnessed significant advancements in machine learning methods on graphs. However, transferring knowledge effectively from one graph to another remains a critical challenge. This highlights the need for algorithms capable…

Machine Learning · Computer Science 2025-12-16 Xinwei Tai , Dongmian Zou , Hongfei Wang
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