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Graph Neural Networks (GNNs) have made tremendous progress in the graph classification task. However, a performance gap between the training set and the test set has often been noticed. To bridge such gap, in this work we introduce the…

Machine Learning · Computer Science 2022-10-18 Yiqi Wang , Chaozhuo Li , Wei Jin , Rui Li , Jianan Zhao , Jiliang Tang , Xing Xie

In this paper, we generally formulate the dynamics prediction problem of various network systems (e.g., the prediction of mobility, traffic and topology) as the temporal link prediction task. Different from conventional techniques of…

Social and Information Networks · Computer Science 2019-01-29 Kai Lei , Meng Qin , Bo Bai , Gong Zhang , Min Yang

Temporal Graph Learning, which aims to model the time-evolving nature of graphs, has gained increasing attention and achieved remarkable performance recently. However, in reality, graph structures are often incomplete and noisy, which…

Machine Learning · Computer Science 2023-08-16 Haozhen Zhang , Xueting Han , Xi Xiao , Jing Bai

Mini-batch training of Graph Neural Networks (GNNs) is fundamentally different from training on i.i.d. data: sampling a subgraph alters the topology and introduces boundary effects, leading prior work to develop structure-aware samplers…

Machine Learning · Computer Science 2026-05-22 Clement Wang , Antoine Vialle , Robin Vaysse , Thomas Bonald

Graph classification is an important learning task for graph-structured data. Graph neural networks (GNNs) have recently gained growing attention in graph learning and have shown significant improvements in many important graph problems.…

Machine Learning · Computer Science 2024-01-31 Tao Wen , Elynn Chen , Yuzhou Chen

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

It has been demonstrated that deep neural networks outperform traditional machine learning. However, deep networks lack generalisability, that is, they will not perform as good as in a new (testing) set drawn from a different distribution…

Machine Learning · Computer Science 2022-06-28 Bruno Casella , Alessio Barbaro Chisari , Sebastiano Battiato , Mario Valerio Giuffrida

Graph Neural Networks (GNNs) became useful for learning on non-Euclidean data. However, their best performance depends on choosing the right model architecture and the training objective, also called the loss function. Researchers have…

Machine Learning · Computer Science 2025-06-18 Khushnood Abbas , Ruizhe Hou , Zhou Wengang , Dong Shi , Niu Ling , Satyaki Nan , Alireza Abbasi

Temporal Graph Learning (TGL) has become a prevalent technique across diverse real-world applications, especially in domains where data can be represented as a graph and evolves over time. Although TGL has recently seen notable progress in…

Machine Learning · Computer Science 2024-02-27 Weilin Cong , Jian Kang , Hanghang Tong , Mehrdad Mahdavi

The recent advancements in graph neural networks (GNNs) have led to state-of-the-art performances in various applications, including chemo-informatics, question-answering systems, and recommender systems. However, scaling up these methods…

Machine Learning · Computer Science 2022-03-30 Ryoma Sato , Makoto Yamada , Hisashi Kashima

Graph Neural Networks (GNNs), especially message-passing-based models, have become prominent in top-k recommendation tasks, outperforming matrix factorization models due to their ability to efficiently aggregate information from a broader…

Information Retrieval · Computer Science 2024-07-12 Yannis Karmim , Elias Ramzi , Raphaël Fournier-S'niehotta , Nicolas Thome

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

Recent works have demonstrated the benefits of capturing long-distance dependency in graphs by deeper graph neural networks (GNNs). But deeper GNNs suffer from the long-lasting scalability challenge due to the neighborhood explosion problem…

Machine Learning · Computer Science 2023-06-02 Rui Xue , Haoyu Han , MohamadAli Torkamani , Jian Pei , Xiaorui Liu

Recently, Graph Neural Networks (GNNs) have shown promising performance in tasks on dynamic graphs such as node classification, link prediction and graph regression. However, few work has studied the temporal edge regression task which has…

Machine Learning · Computer Science 2023-08-16 Lekang Jiang , Caiqi Zhang , Farimah Poursafaei , Shenyang Huang

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 have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

Machine Learning · Computer Science 2021-02-23 Vijay Lingam , Arun Iyer , Rahul Ragesh

For multilayer materials in thin substrate systems, interfacial failure is one of the most challenges. The traction-separation relations (TSR) quantitatively describe the mechanical behavior of a material interface undergoing openings,…

Computational Engineering, Finance, and Science · Computer Science 2020-12-01 Jiaxin Zhang , Congjie Wei , Chenglin Wu

Modern deep artificial neural networks have achieved great success in the domain of computer vision and beyond. However, their application to many real-world tasks is undermined by certain limitations, such as overconfident uncertainty…

Machine Learning · Computer Science 2022-05-05 Adrián Csiszárik , Beatrix Benkő , Dániel Varga

Several sampling algorithms with variance reduction have been proposed for accelerating the training of Graph Convolution Networks (GCNs). However, due to the intractable computation of optimal sampling distribution, these sampling…

Machine Learning · Computer Science 2020-06-12 Ziqi Liu , Zhengwei Wu , Zhiqiang Zhang , Jun Zhou , Shuang Yang , Le Song , Yuan Qi
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