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Graph neural networks (GNNs) have demonstrated excellent performance in a wide range of applications. However, the enormous size of large-scale graphs hinders their applications under real-time inference scenarios. Although existing…

Machine Learning · Computer Science 2022-12-29 Xinyi Gao , Wentao Zhang , Yingxia Shao , Quoc Viet Hung Nguyen , Bin Cui , Hongzhi Yin

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

High-fidelity fracture mechanics simulations of multiple microcracks interaction via physics-based models quickly become computationally expensive as the number of microcracks increases. This work develops a Graph Neural Network (GNN) based…

Materials Science · Physics 2022-05-12 Roberto Perera , Davide Guzzetti , Vinamra Agrawal

In recent years, owing to the outstanding performance in graph representation learning, graph neural network (GNN) techniques have gained considerable interests in many real-world scenarios, such as recommender systems and social networks.…

Machine Learning · Computer Science 2021-12-09 Weibin Li , Mingkai He , Zhengjie Huang , Xianming Wang , Shikun Feng , Weiyue Su , Yu Sun

Traffic flow forecasting is a critical spatio-temporal data mining task with wide-ranging applications in intelligent route planning and dynamic traffic management. Recent advancements in deep learning, particularly through Graph Neural…

Machine Learning · Computer Science 2025-05-14 Weiyang Kong , Kaiqi Wu , Sen Zhang , Yubao Liu

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…

Machine Learning · Computer Science 2021-10-28 Mucong Ding , Kezhi Kong , Jingling Li , Chen Zhu , John P Dickerson , Furong Huang , Tom Goldstein

Graph Neural Network (GNN) training and inference involve significant challenges of scalability with respect to both model sizes and number of layers, resulting in degradation of efficiency and accuracy for large and deep GNNs. We present…

Machine Learning · Computer Science 2023-08-30 Shuang Wang , Bahaeddin Eravci , Rustam Guliyev , Hakan Ferhatosmanoglu

Burst image processing is becoming increasingly popular in recent years. However, it is a challenging task since individual burst images undergo multiple degradations and often have mutual misalignments resulting in ghosting and zipper…

Computer Vision and Pattern Recognition · Computer Science 2023-04-14 Nancy Mehta , Akshay Dudhane , Subrahmanyam Murala , Syed Waqas Zamir , Salman Khan , Fahad Shahbaz Khan

Graph Neural Networks (GNNs) have achieved great success in processing graph data by extracting and propagating structure-aware features. Existing GNN research designs various propagation schemes to guide the aggregation of neighbor…

Machine Learning · Computer Science 2021-12-03 Jun Hu , Shengsheng Qian , Quan Fang , Changsheng Xu

Recent researches on panoptic segmentation resort to a single end-to-end network to combine the tasks of instance segmentation and semantic segmentation. However, prior models only unified the two related tasks at the architectural level…

Computer Vision and Pattern Recognition · Computer Science 2020-04-15 Yangxin Wu , Gengwei Zhang , Yiming Gao , Xiajun Deng , Ke Gong , Xiaodan Liang , Liang Lin

Deep graph neural networks (GNNs) have achieved excellent results on various tasks on increasingly large graph datasets with millions of nodes and edges. However, memory complexity has become a major obstacle when training deep GNNs for…

Machine Learning · Computer Science 2022-04-12 Guohao Li , Matthias Müller , Bernard Ghanem , Vladlen Koltun

Graph Convolutional Neural Network (GCNN) is a popular class of deep learning (DL) models in material science to predict material properties from the graph representation of molecular structures. Training an accurate and comprehensive GCNN…

Machine Learning · Computer Science 2022-07-26 Jong Youl Choi , Pei Zhang , Kshitij Mehta , Andrew Blanchard , Massimiliano Lupo Pasini

Conformal prediction for graph neural networks (GNNs) offers a promising framework for quantifying uncertainty, enhancing GNN reliability in high-stakes applications. However, existing methods predominantly focus on static graphs,…

Machine Learning · Computer Science 2025-07-04 Tuo Wang , Jian Kang , Yujun Yan , Adithya Kulkarni , Dawei Zhou

Message-passing neural networks (MPNNs) have been successfully applied to representation learning on graphs in a variety of real-world applications. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent…

Machine Learning · Computer Science 2020-02-17 Hongbin Pei , Bingzhe Wei , Kevin Chen-Chuan Chang , Yu Lei , Bo Yang

Recently, graph neural networks (GNNs) have shown its unprecedented success in many graph-related tasks. However, GNNs face the label scarcity issue as other neural networks do. Thus, recent efforts try to pre-train GNNs on a large-scale…

Machine Learning · Computer Science 2024-03-04 Zhili Wang , Shimin Di , Lei Chen , Xiaofang Zhou

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Simulating complex dynamics like fluids with traditional simulators is computationally challenging. Deep learning models have been proposed as an efficient alternative, extending or replacing parts of traditional simulators. We investigate…

Machine Learning · Computer Science 2022-03-16 Jonathan Klimesch , Philipp Holl , Nils Thuerey

Scalable graph neural networks (GNNs) have emerged as a promising technique, which exhibits superior predictive performance and high running efficiency across numerous large-scale graph-based web applications. However, (i) Most scalable…

Machine Learning · Computer Science 2024-02-12 Xunkai Li , Jingyuan Ma , Zhengyu Wu , Daohan Su , Wentao Zhang , Rong-Hua Li , Guoren Wang

Deep neural networks (DNNs) have achieved great success in the area of computer vision. The disparity estimation problem tends to be addressed by DNNs which achieve much better prediction accuracy than traditional hand-crafted feature-based…

Computer Vision and Pattern Recognition · Computer Science 2021-10-07 Qiang Wang , Shaohuai Shi , Shizhen Zheng , Kaiyong Zhao , Xiaowen Chu

Graph Neural Networks (GNN) are indispensable in learning from graph-structured data, yet their rising computational costs, especially on massively connected graphs, pose significant challenges in terms of execution performance. To tackle…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-05 Aishwarya Sarkar , Sayan Ghosh , Nathan R. Tallent , Ali Jannesari