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Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…

Materials Science · Physics 2021-07-16 Minyi Dai , Mehmet F. Demirel , Yingyu Liang , Jia-Mian Hu

Graph Neural Networks (GNNs) have evolved to understand graph structures through recursive exchanges and aggregations among nodes. To enhance robustness, self-supervised learning (SSL) has become a vital tool for data augmentation.…

Computation and Language · Computer Science 2024-05-08 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Lixin Su , Suqi Cheng , Dawei Yin , Chao Huang

Graph embedding methods aim at finding useful graph representations by mapping nodes to a low-dimensional vector space. It is a task with important downstream applications, such as link prediction, graph reconstruction, data visualization,…

Machine Learning · Computer Science 2022-09-13 Said Kerrache , Hafida Benhidour

Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

Machine Learning · Computer Science 2022-04-11 Manh Tuan Do , Noseong Park , Kijung Shin

Training Graph Neural Networks(GNNs) on a large monolithic graph presents unique challenges as the graph cannot fit within a single machine and it cannot be decomposed into smaller disconnected components. Distributed sampling-based…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Hesham Mostafa , Adam Grabowski , Md Asadullah Turja , Juan Cervino , Alejandro Ribeiro , Nageen Himayat

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Haiyang Lin , Mingyu Yan , Xiaochun Ye , Dongrui Fan , Shirui Pan , Wenguang Chen , Yuan Xie

Graph similarity computation is one of the core operations in many graph-based applications, such as graph similarity search, graph database analysis, graph clustering, etc. Since computing the exact distance/similarity between two graphs…

Machine Learning · Computer Science 2021-05-18 Yunsheng Bai , Hao Ding , Yizhou Sun , Wei Wang

Graph neural networks (GNN) are powerful models for many graph-structured tasks. Existing models often assume that the complete structure of the graph is available during training. In practice, however, graph-structured data is usually…

Machine Learning · Computer Science 2022-03-29 Chen Wang , Yuheng Qiu , Dasong Gao , Sebastian Scherer

Graph structure learning (GSL), which aims to learn the adjacency matrix for graph neural networks (GNNs), has shown great potential in boosting the performance of GNNs. Most existing GSL works apply a joint learning framework where the…

Machine Learning · Computer Science 2023-03-02 Jianan Zhao , Qianlong Wen , Mingxuan Ju , Chuxu Zhang , Yanfang Ye

The emergence of geometric deep learning as a novel framework to deal with graph-based representations has faded away traditional approaches in favor of completely new methodologies. In this paper, we propose a new framework able to combine…

Computer Vision and Pattern Recognition · Computer Science 2020-08-19 Pau Riba , Andreas Fischer , Josep Lladós , Alicia Fornés

End-to-end training of graph neural networks (GNN) on large graphs presents several memory and computational challenges, and limits the application to shallow architectures as depth exponentially increases the memory and space complexities.…

Machine Learning · Computer Science 2023-09-06 Oscar Pina , Verónica Vilaplana

Large-scale graph training is a notoriously challenging problem for graph neural networks (GNNs). Due to the nature of evolving graph structures into the training process, vanilla GNNs usually fail to scale up, limited by the GPU memory…

Machine Learning · Computer Science 2023-03-02 Keyu Duan , Zirui Liu , Peihao Wang , Wenqing Zheng , Kaixiong Zhou , Tianlong Chen , Xia Hu , Zhangyang Wang

Entity alignment is a crucial task in knowledge graph fusion. However, most entity alignment approaches have the scalability problem. Recent methods address this issue by dividing large KGs into small blocks for embedding and alignment…

Machine Learning · Computer Science 2022-08-25 Kexuan Xin , Zequn Sun , Wen Hua , Wei Hu , Jianfeng Qu , Xiaofang Zhou

Pre-training on graph neural networks (GNNs) aims to learn transferable knowledge for downstream tasks with unlabeled data, and it has recently become an active research area. The success of graph pre-training models is often attributed to…

Machine Learning · Computer Science 2023-11-22 Jiarong Xu , Renhong Huang , Xin Jiang , Yuxuan Cao , Carl Yang , Chunping Wang , Yang Yang

Graph neural networks (GNNs) encounter significant computational challenges when handling large-scale graphs, which severely restricts their efficacy across diverse applications. To address this limitation, graph condensation has emerged as…

Machine Learning · Computer Science 2023-12-12 Xinyi Gao , Tong Chen , Yilong Zang , Wentao Zhang , Quoc Viet Hung Nguyen , Kai Zheng , Hongzhi Yin

There is an increasing need of continual learning in dynamic systems, such as the self-driving vehicle, the surveillance drone, and the robotic system. Such a system requires learning from the data stream, training the model to preserve…

Machine Learning · Computer Science 2019-12-23 Xiaocong Du , Gouranga Charan , Frank Liu , Yu Cao

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Machine Learning · Computer Science 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

The computation of distance measures between nodes in graphs is inefficient and does not scale to large graphs. We explore dense vector representations as an effective way to approximate the same information: we introduce a simple yet…

Computation and Language · Computer Science 2019-06-18 Andrey Kutuzov , Mohammad Dorgham , Oleksiy Oliynyk , Chris Biemann , Alexander Panchenko

Small subgraphs (graphlets) are important features to describe fundamental units of a large network. The calculation of the subgraph frequency distributions has a wide application in multiple domains including biology and engineering.…

Machine Learning · Computer Science 2022-07-15 Zhongren Chen , Xinyue Xu , Shengyi Jiang , Hao Wang , Lu Mi

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