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Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective…

Machine Learning · Computer Science 2020-06-30 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Kai-Wei Chang , Yizhou Sun

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Graph convolutional network (GCN) is an emerging neural network approach. It learns new representation of a node by aggregating feature vectors of all neighbors in the aggregation process without considering whether the neighbors or…

Machine Learning · Computer Science 2022-04-01 Li Zhang , Heda Song , Nikolaos Aletras , Haiping Lu

Graph neural networks (GNNs) have shown great success in learning from graph-based data. The key mechanism of current GNNs is message passing, where a node's feature is updated based on the information passing from its local neighbourhood.…

Machine Learning · Computer Science 2024-05-09 Yongze Wang , Haimin Zhang , Qiang Wu , Min Xu

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved,…

Machine Learning · Computer Science 2022-05-20 Max Wasserman , Saurabh Sihag , Gonzalo Mateos , Alejandro Ribeiro

Graph neural networks are increasingly becoming the framework of choice for graph-based machine learning. In this paper, we propose a new graph neural network architecture that substitutes classical message passing with an analysis of the…

Machine Learning · Computer Science 2024-01-18 Alessandro Bicciato , Luca Cosmo , Giorgia Minello , Luca Rossi , Andrea Torsello

Graph neural networks (GNNs) have emerged as powerful models for learning representations of graph data showing state of the art results in various tasks. Nevertheless, the superiority of these methods is usually supported by either…

Machine Learning · Computer Science 2024-11-22 Tianqi Zhao , Megha Khosla

We target open-world feature extrapolation problem where the feature space of input data goes through expansion and a model trained on partially observed features needs to handle new features in test data without further retraining. The…

Machine Learning · Computer Science 2023-06-14 Qitian Wu , Chenxiao Yang , Junchi Yan

Graph convolutional neural networks (GCNs) generalize tradition convolutional neural networks (CNNs) from low-dimensional regular graphs (e.g., image) to high dimensional irregular graphs (e.g., text documents on word embeddings). Due to…

Machine Learning · Computer Science 2021-03-30 Mehrnaz Najafi , Philip S. Yu

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

One fundamental challenge in graph machine learning is generalizing to new graphs. Many existing methods following the inductive setup can generalize to test graphs with new structures, but assuming the feature and label spaces remain the…

Machine Learning · Computer Science 2025-04-09 Jianan Zhao , Zhaocheng Zhu , Mikhail Galkin , Hesham Mostafa , Michael Bronstein , Jian Tang

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Graph Neural Networks (GNNs) are a popular class of machine learning models. Inspired by the learning to explain (L2X) paradigm, we propose L2XGNN, a framework for explainable GNNs which provides faithful explanations by design. L2XGNN…

Machine Learning · Computer Science 2024-06-17 Giuseppe Serra , Mathias Niepert

Graph Convolutional Networks (GCNs) gained traction for graph representation learning, with recent attention on improving performance on heterophilic graphs for various real-world applications. The localized feature aggregation in a typical…

Machine Learning · Computer Science 2025-07-30 Garv Kaushik

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge…

Machine Learning · Computer Science 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Graph neural networks (GNNs), which propagate the node features through the edges and learn how to transform the aggregated features under label supervision, have achieved great success in supervised feature extraction for both node-level…

Machine Learning · Statistics 2022-11-01 Yilin He , Chaojie Wang , Hao Zhang , Bo Chen , Mingyuan Zhou

Graph Neural Networks (GNNs) have proven to be highly effective in various graph learning tasks. A key characteristic of GNNs is their use of a fixed number of message-passing steps for all nodes in the graph, regardless of each node's…

Machine Learning · Computer Science 2025-09-03 Yassine Abbahaddou , Fragkiskos D. Malliaros , Johannes F. Lutzeyer , Michalis Vazirgiannis

Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely…

Machine Learning · Computer Science 2021-06-16 Jiong Zhu , Ryan A. Rossi , Anup Rao , Tung Mai , Nedim Lipka , Nesreen K. Ahmed , Danai Koutra

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Most Graph Neural Networks (GNNs) propagate messages by treating node embeddings as holistic feature vectors, implicitly assuming uniform relevance across feature dimensions. This limits their ability to selectively transmit informative…

Machine Learning · Computer Science 2025-12-24 Longlong Li , Mengyang Zhao , Guanghui Wang , Cunquan Qu