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We study how neural networks trained by gradient descent extrapolate, i.e., what they learn outside the support of the training distribution. Previous works report mixed empirical results when extrapolating with neural networks: while…

Machine Learning · Computer Science 2021-03-04 Keyulu Xu , Mozhi Zhang , Jingling Li , Simon S. Du , Ken-ichi Kawarabayashi , Stefanie Jegelka

Graph machine learning has enjoyed a meteoric rise in popularity since the introduction of deep learning in graph contexts. This is no surprise due to the ubiquity of graph data in large scale industrial settings. Tacitly assumed in all…

Machine Learning · Computer Science 2024-12-10 Isay Katsman , Ethan Lou , Anna Gilbert

Graph Neural Networks (GNNs) have already been widely applied in various graph mining tasks. However, they suffer from the shallow architecture issue, which is the key impediment that hinders the model performance improvement. Although…

Machine Learning · Computer Science 2021-08-03 Wentao Zhang , Zeang Sheng , Yuezihan Jiang , Yikuan Xia , Jun Gao , Zhi Yang , Bin Cui

Due to the significant computational challenge of training large-scale graph neural networks (GNNs), various sparse learning techniques have been exploited to reduce memory and storage costs. Examples include \textit{graph sparsification}…

Machine Learning · Computer Science 2023-02-07 Shuai Zhang , Meng Wang , Pin-Yu Chen , Sijia Liu , Songtao Lu , Miao Liu

Graph Neural Networks (GNNs) have shown success in learning from graph-structured data, with applications to fraud detection, recommendation, and knowledge graph reasoning. However, training GNN efficiently is challenging because: 1) GPU…

Machine Learning · Computer Science 2021-11-12 Seung Won Min , Kun Wu , Mert Hidayetoğlu , Jinjun Xiong , Xiang Song , Wen-mei Hwu

How can we solve semi-supervised node classification in various graphs possibly with noisy features and structures? Graph neural networks (GNNs) have succeeded in many graph mining tasks, but their generalizability to various graph…

Machine Learning · Computer Science 2023-06-19 Jaemin Yoo , Meng-Chieh Lee , Shubhranshu Shekhar , Christos Faloutsos

Deep neural networks (DNNs) have become a widely deployed model for numerous machine learning applications. However, their fixed architecture, substantial training cost, and significant model redundancy make it difficult to efficiently…

Neural and Evolutionary Computing · Computer Science 2019-05-28 Xiaoliang Dai , Hongxu Yin , Niraj K. Jha

Graph Neural Networks (GNNs) excel in various graph learning tasks but face computational challenges when applied to large-scale graphs. A promising solution is to remove non-essential edges to reduce the computational overheads in GNN.…

Machine Learning · Computer Science 2024-02-05 Guibin Zhang , Yanwei Yue , Kun Wang , Junfeng Fang , Yongduo Sui , Kai Wang , Yuxuan Liang , Dawei Cheng , Shirui Pan , Tianlong Chen

While Graph Neural Networks (GNNs) recently became powerful tools in graph learning tasks, considerable efforts have been spent on improving GNNs' structural encoding ability. A particular line of work proposed subgraph GNNs that use…

Machine Learning · Computer Science 2023-10-31 Lecheng Kong , Jiarui Feng , Hao Liu , Dacheng Tao , Yixin Chen , Muhan Zhang

Graphs can model complex relationships between objects, enabling a myriad of Web applications such as online page/article classification and social recommendation. While graph neural networks(GNNs) have emerged as a powerful tool for graph…

Machine Learning · Computer Science 2023-02-28 Zemin Liu , Xingtong Yu , Yuan Fang , Xinming Zhang

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 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

Recent prevailing works on graph machine learning typically follow a similar methodology that involves designing advanced variants of graph neural networks (GNNs) to maintain the superior performance of GNNs on different graphs. In this…

Machine Learning · Computer Science 2024-06-07 Yiran Qiao , Xiang Ao , Yang Liu , Jiarong Xu , Xiaoqian Sun , Qing He

Graph neural networks (GNNs) are emerging as a powerful technique for modeling graph structures. Due to the sparsity of real-world graph data, GNN performance is limited by extensive sparse matrix multiplication (SpMM) operations involved…

Machine Learning · Computer Science 2021-11-02 Shenghao Qiu , You Liang , Zheng Wang

Mesh-based graph neural networks (GNNs) have become effective surrogates for PDE simulations, yet their deep message passing incurs high cost and over-smoothing on large, long-range meshes; hierarchical GNNs shorten propagation paths but…

Machine Learning · Computer Science 2025-09-16 Bo Lei , Victor M. Castillo , Yeping Hu

Linearized Graph Neural Networks (GNNs) have attracted great attention in recent years for graph representation learning. Compared with nonlinear Graph Neural Network (GNN) models, linearized GNNs are much more time-efficient and can…

Machine Learning · Computer Science 2023-02-02 Yulin Zhu , Xing Ai , Qimai Li , Xiao-Ming Wu , Kai Zhou

The ``pre-train, prompt" paradigm, designed to bridge the gap between pre-training tasks and downstream objectives, has been extended from the NLP domain to the graph domain and has achieved remarkable progress. Current mainstream graph…

Computation and Language · Computer Science 2026-01-27 Ziyu Zheng , Yaming Yang , Ziyu Guan , Wei Zhao , Xinyan Huang , Weigang Lu

Graph classification aims to extract accurate information from graph-structured data for classification and is becoming more and more important in graph learning community. Although Graph Neural Networks (GNNs) have been successfully…

Machine Learning · Computer Science 2020-06-24 Ning Ma , Jiajun Bu , Jieyu Yang , Zhen Zhang , Chengwei Yao , Zhi Yu , Sheng Zhou , Xifeng Yan

Graph Neural Networks (GNNs) have become popular across a diverse set of tasks in exploring structural relationships between entities. However, due to the highly connected structure of the datasets, distributed training of GNNs on…

Machine Learning · Computer Science 2025-09-08 Arefin Niam , Tevfik Kosar , M S Q Zulkar Nine

Fine-tuning pre-trained models has recently yielded remarkable performance gains in graph neural networks (GNNs). In addition to pre-training techniques, inspired by the latest work in the natural language fields, more recent work has…

Machine Learning · Computer Science 2023-12-12 Shengrui Li , Xueting Han , Jing Bai