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Graph Neural Networks (GNNs) have already been widely applied in various graph mining tasks. However, they suffer from the shallow architecture issue, which is the key impediment that hinders the model performance improvement. Although…

机器学习 · 计算机科学 2021-08-03 Wentao Zhang , Zeang Sheng , Yuezihan Jiang , Yikuan Xia , Jun Gao , Zhi Yang , Bin Cui

Edge intelligence has arisen as a promising computing paradigm for supporting miscellaneous smart applications that rely on machine learning techniques. While the community has extensively investigated multi-tier edge deployment for…

分布式、并行与集群计算 · 计算机科学 2022-11-01 Liekang Zeng , Chongyu Yang , Peng Huang , Zhi Zhou , Shuai Yu , Xu Chen

Graph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we propose a GNN model tailored for estimating electronic…

材料科学 · 物理学 2026-04-07 Yuxuan Zeng , Wei Cao , Yijing Zuo , Fang Lyu , Wenhao Xie , Tan Peng , Yue Hou , Ling Miao , Ziyu Wang , Jing Shi

Composite materials with different microstructural material symmetries are common in engineering applications where grain structure, alloying and particle/fiber packing are optimized via controlled manufacturing. In fact these…

材料科学 · 物理学 2024-04-30 Ravi Patel , Cosmin Safta , Reese E. Jones

The combination of deep learning algorithm and materials science has made significant progress in predicting novel materials and understanding various behaviours of materials. Here, we introduced a new model called as the Crystal…

材料科学 · 物理学 2024-05-21 Zijian Du , Luozhijie Jin , Le Shu , Yan Cen , Yuanfeng Xu , Yongfeng Mei , Hao Zhang

Driven by machine-learning tasks neural networks have demonstrated useful capabilities as nonlinear hypothesis classifiers. The underlying technologies performing the dot product multiplication, the summation, and the nonlinear thresholding…

应用物理 · 物理学 2019-10-01 Mario Miscuglio , Gina C. Adam , Duygu Kuzum , Volker J. Sorger

The determination of charged particle trajectories in collisions at the CERN Large Hadron Collider (LHC) is an important but challenging problem, especially in the high interaction density conditions expected during the future…

In many real-world network datasets such as co-authorship, co-citation, email communication, etc., relationships are complex and go beyond pairwise. Hypergraphs provide a flexible and natural modeling tool to model such complex…

机器学习 · 计算机科学 2019-05-23 Naganand Yadati , Madhav Nimishakavi , Prateek Yadav , Vikram Nitin , Anand Louis , Partha Talukdar

Graph Neural Networks (GNNs) have significant advantages in handling non-Euclidean data and have been widely applied across various areas, thus receiving increasing attention in recent years. The framework of GNN models mainly includes the…

机器学习 · 计算机科学 2025-02-05 Shengda Zhuo , Jiwang Fang , Hongguang Lin , Yin Tang , Min Chen , Changdong Wang , Shuqiang Huang

Evaluating node importance is a critical aspect of analyzing complex systems, with broad applications in digital marketing, rumor suppression, and disease control. However, existing methods typically rely on conventional network structures…

社会与信息网络 · 计算机科学 2025-07-29 Xiaonan Ni , Guangyuan Mei , Su-Su Zhang , Yang Chen , Xin Xu , Chuang Liu , Xiu-Xiu Zhan

We present a fast and scalable framework, leveraging graph neural networks (GNNs) and hierarchical matrix ($\mathcal{H}$-matrix) techniques, for simulating large-scale particulate suspensions, which have broader impacts across science and…

计算物理 · 物理学 2026-01-16 Zhan Ma , Zisheng Ye , Ebrahim Safdarian , Wenxiao Pan

Learning representations for graphs plays a critical role in a wide spectrum of downstream applications. In this paper, we summarize the limitations of the prior works in three folds: representation space, modeling dynamics and modeling…

机器学习 · 计算机科学 2021-04-07 Li Sun , Zhongbao Zhang , Jiawei Zhang , Feiyang Wang , Hao Peng , Sen Su , Philip S. Yu

Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

机器学习 · 计算机科学 2025-12-16 Yihan Zhang

The ongoing need for effective epidemic modeling has driven advancements in capturing the complex dynamics of infectious diseases. Traditional models, such as Susceptible-Infected-Recovered, and graph-based approaches often fail to account…

社会与信息网络 · 计算机科学 2025-04-02 Songyuan Liu , Shengbo Gong , Tianning Feng , Zewen Liu , Max S. Y. Lau , Wei Jin

Inspired by recent improvements in point cloud processing for autonomous navigation, we focus on using hierarchical graph neural networks for processing and feature learning over large-scale outdoor LiDAR point clouds. We observe that…

计算机视觉与模式识别 · 计算机科学 2023-01-18 Arulmolivarman Thieshanthan , Amashi Niwarthana , Pamuditha Somarathne , Tharindu Wickremasinghe , Ranga Rodrigo

Heterogeneous Graph Neural Networks (HGNNs) have exhibited powerful performance in heterogeneous graph learning by aggregating information from various types of nodes and edges. However, existing heterogeneous graph models often struggle to…

机器学习 · 计算机科学 2025-09-30 Ranhui Yan , Jia cai

The heterogeneity of breast cancer presents considerable challenges for its early detection, prognosis, and treatment selection. Convolutional neural networks often neglect the spatial relationships within histopathological images, which…

计算机视觉与模式识别 · 计算机科学 2023-07-18 Akhila Krishna K , Ravi Kant Gupta , Nikhil Cherian Kurian , Pranav Jeevan , Amit Sethi

Heterogeneous graph neural networks (GNNs) achieve strong performance on node classification tasks in a semi-supervised learning setting. However, as in the simpler homogeneous GNN case, message-passing-based heterogeneous GNNs may struggle…

机器学习 · 计算机科学 2022-10-24 Hongjoon Ahn , Yongyi Yang , Quan Gan , Taesup Moon , David Wipf

Recent work has demonstrated that geometric deep learning methods such as graph neural networks (GNNs) are well suited to address a variety of reconstruction problems in high energy particle physics. In particular, particle tracking data is…

Graph neural networks (GNNs) have become a core paradigm for learning on relational data. In materials science, equivariant GNNs (EGNNs) have emerged as a compelling backbone for crystalline-structure prediction, owing to their ability to…

机器学习 · 计算机科学 2025-10-08 Yang Cao , Zhao Song , Jiahao Zhang , Jiale Zhao