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Machine learning on graphs has recently found extensive applications across domains. However, the commonly used Message Passing Neural Networks (MPNNs) suffer from limited expressive power and struggle to capture long-range dependencies.…

机器学习 · 计算机科学 2024-10-07 Yinan Huang , Siqi Miao , Pan Li

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have…

机器学习 · 计算机科学 2025-08-26 Paul Garnier , Vincent Lannelongue , Jonathan Viquerat , Elie Hachem

Graph Neural Networks (GNNs) are powerful tools for learning graph-structured data, but their scalability is hindered by inefficient mini-batch generation, data transfer bottlenecks, and costly inter-GPU synchronization. Existing training…

机器学习 · 计算机科学 2026-01-09 Irfan Ullah , Young-Koo Lee

Graphs have become a central representation in machine learning for capturing relational and structured data across various domains. Traditional graph neural networks often struggle to capture long-range dependencies between nodes due to…

机器学习 · 计算机科学 2025-08-26 Leon Dimitrov

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…

机器学习 · 计算机科学 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Graph convolutional networks (GCNs) have been employed as a kind of significant tool on many graph-based applications recently. Inspired by convolutional neural networks (CNNs), GCNs generate the embeddings of nodes by aggregating the…

机器学习 · 计算机科学 2020-11-20 Tao Huang , Yihan Zhang , Jiajing Wu , Junyuan Fang , Zibin Zheng

Graph Neural Networks (GNNs) have emerged as promising solutions for collaborative filtering (CF) through the modeling of user-item interaction graphs. The nucleus of existing GNN-based recommender systems involves recursive message passing…

机器学习 · 计算机科学 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

机器学习 · 计算机科学 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph…

计算机视觉与模式识别 · 计算机科学 2023-07-19 Avishkar Saha , Oscar Mendez , Chris Russell , Richard Bowden

As the field of Graph Neural Networks (GNN) continues to grow, it experiences a corresponding increase in the need for large, real-world datasets to train and test new GNN models on challenging, realistic problems. Unfortunately, such graph…

机器学习 · 计算机科学 2023-06-12 Minji Yoon , Yue Wu , John Palowitch , Bryan Perozzi , Ruslan Salakhutdinov

As an alternative to classical numerical solvers for partial differential equations (PDEs) subject to boundary value constraints, there has been a surge of interest in investigating neural networks that can solve such problems efficiently.…

机器学习 · 计算机科学 2023-08-21 Winfried Lötzsch , Simon Ohler , Johannes S. Otterbach

The network embedding problem that maps nodes in a graph to vectors in Euclidean space can be very useful for addressing several important tasks on a graph. Recently, graph neural networks (GNNs) have been proposed for solving such a…

机器学习 · 计算机科学 2020-09-23 Ping-En Lu , Cheng-Shang Chang

Current graph neural networks (GNNs) lack generalizability with respect to scales (graph sizes, graph diameters, edge weights, etc..) when solving many graph analysis problems. Taking the perspective of synthesizing graph theory programs,…

机器学习 · 计算机科学 2020-10-27 Hao Tang , Zhiao Huang , Jiayuan Gu , Bao-Liang Lu , Hao Su

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

机器学习 · 计算机科学 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Node tokenized graph Transformers (GTs) have shown promising performance in node classification. The generation of token sequences is the key module in existing tokenized GTs which transforms the input graph into token sequences,…

机器学习 · 计算机科学 2025-02-13 Jinsong Chen , Chenyang Li , GaiChao Li , John E. Hopcroft , Kun He

Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learning tasks. However, the general applicability of these…

Scalability of graph neural networks remains one of the major challenges in graph machine learning. Since the representation of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes…

机器学习 · 计算机科学 2021-06-10 Zengfeng Huang , Shengzhong Zhang , Chong Xi , Tang Liu , Min Zhou

Graph Transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to…

机器学习 · 计算机科学 2025-11-12 Timo Stoll , Luis Müller , Christopher Morris

Graph contrastive learning (GCL) has become a hot topic in the field of graph representation learning. In contrast to traditional supervised learning relying on a large number of labels, GCL exploits augmentation strategies to generate…

机器学习 · 计算机科学 2025-03-28 Jianqing Liang , Xinkai Wei , Min Chen , Zhiqiang Wang , Jiye Liang

Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise…

机器学习 · 计算机科学 2021-09-03 Ming Chen , Zhewei Wei , Bolin Ding , Yaliang Li , Ye Yuan , Xiaoyong Du , Ji-Rong Wen