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Graph neural networks (GNNs) have been widely used to learn vector representation of graph-structured data and achieved better task performance than conventional methods. The foundation of GNNs is the message passing procedure, which…

机器学习 · 计算机科学 2022-01-31 Takeshi D. Itoh , Takatomi Kubo , Kazushi Ikeda

Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However,…

Graph neural networks (GNNs) have achieved great success in many graph learning tasks. The main aspect powering existing GNNs is the multi-layer network architecture to learn the nonlinear graph representations for the specific learning…

机器学习 · 计算机科学 2022-02-21 Beibei Wang , Bo Jiang

Graph neural network have achieved impressive results in predicting molecular properties, but they do not directly account for local and hidden structures in the graph such as functional groups and molecular geometry. At each propagation…

机器学习 · 计算机科学 2020-02-25 Daniel Flam-Shepherd , Tony Wu , Pascal Friederich , Alan Aspuru-Guzik

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of…

机器学习 · 计算机科学 2020-07-21 Meng Liu , Hongyang Gao , Shuiwang Ji

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

无序系统与神经网络 · 物理学 2026-02-23 O. Duranthon , L. Zdeborová

Pre-trained graph neural networks (GNNs) transfer well, but adapting them to downstream tasks remains challenging due to mismatches between pre-training objectives and task requirements. Graph prompt tuning offers a parameter-efficient…

机器学习 · 计算机科学 2026-02-06 Long D. Nguyen , Binh P. Nguyen

Learning useful node and graph representations with graph neural networks (GNNs) is a challenging task. It is known that deep GNNs suffer from over-smoothing where, as the number of layers increases, node representations become nearly…

机器学习 · 计算机科学 2022-02-28 Pantelis Elinas , Edwin V. Bonilla

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

机器学习 · 计算机科学 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Most state-of-the-art Graph Neural Networks (GNNs) can be defined as a form of graph convolution which can be realized by message passing between direct neighbors or beyond. To scale such GNNs to large graphs, various neighbor-, layer-, or…

机器学习 · 计算机科学 2021-10-28 Mucong Ding , Kezhi Kong , Jingling Li , Chen Zhu , John P Dickerson , Furong Huang , Tom Goldstein

Graph Convolutional Networks (GCN) is a pioneering model for graph-based semi-supervised learning. However, GCN does not perform well on sparsely-labeled graphs. Its two-layer version cannot effectively propagate the label information to…

机器学习 · 计算机科学 2025-02-24 Wei Ye , Zexi Huang , Yunqi Hong , Ambuj Singh

Recently Graph Neural Network (GNN) has been applied successfully to various NLP tasks that require reasoning, such as multi-hop machine reading comprehension. In this paper, we consider a novel case where reasoning is needed over graphs…

计算与语言 · 计算机科学 2020-04-13 Ming Tu , Jing Huang , Xiaodong He , Bowen Zhou

Graph neural networks (GNNs) are composed of layers consisting of graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from data…

机器学习 · 计算机科学 2023-08-09 Luana Ruiz , Luiz F. O. Chamon , Alejandro Ribeiro

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

机器学习 · 计算机科学 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

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…

机器学习 · 计算机科学 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Session-based recommendation systems suggest relevant items to users by modeling user behavior and preferences using short-term anonymous sessions. Existing methods leverage Graph Neural Networks (GNNs) that propagate and aggregate…

信息检索 · 计算机科学 2022-01-10 Sai Mitheran , Abhinav Java , Surya Kant Sahu , Arshad Shaikh

Message passing has evolved as an effective tool for designing Graph Neural Networks (GNNs). However, most existing methods for message passing simply sum or average all the neighboring features to update node representations. They are…

机器学习 · 计算机科学 2022-06-17 Rui Yang , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong

Graph Neural Networks (GNNs) have led to state-of-the-art performance on a variety of machine learning tasks such as recommendation, node classification and link prediction. Graph neural network models generate node embeddings by merging…

机器学习 · 计算机科学 2020-11-04 Yunpeng Weng , Xu Chen , Liang Chen , Wei Liu

The recent success of State-Space Models (SSMs) in sequence modeling has motivated their adaptation to graph learning, giving rise to Graph State-Space Models (GSSMs). However, existing GSSMs operate by applying SSM modules to sequences…

Message Passing Neural Networks (MPNNs) hold a key position in machine learning on graphs, but they struggle with unintended behaviors, such as over-smoothing and over-squashing, due to irregular data structures. The observation and…

机器学习 · 计算机科学 2025-08-26 Junhyun Lee , Veronika Thost , Bumsoo Kim , Jaewoo Kang , Tengfei Ma