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Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Recent research on graph neural networks (GNNs) has explored mechanisms for capturing local uncertainty and exploiting graph hierarchies to mitigate data sparsity and leverage structural properties. However, the synergistic integration of…

Machine Learning · Computer Science 2025-05-06 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures;…

Machine Learning · Computer Science 2022-01-19 Yixin Liu , Yu Zheng , Daokun Zhang , Hongxu Chen , Hao Peng , Shirui Pan

Link prediction is a fundamental task in graph learning, inherently shaped by the topology of the graph. While traditional heuristics are grounded in graph topology, they encounter challenges in generalizing across diverse graphs. Recent…

Machine Learning · Computer Science 2024-06-18 Juzheng Zhang , Lanning Wei , Zhen Xu , Quanming Yao

Nowadays, cloud-based services are widely favored over the traditional approach of locally training a Neural Network (NN) model. Oftentimes, a cloud service processes multiple requests from users--thus training multiple NN models…

Machine Learning · Computer Science 2024-08-07 Sifat Ut Taki , Arthi Padmanabhan , Spyridon Mastorakis

Deep neural networks (DNN) have demonstrated unprecedented success for medical imaging applications. However, due to the issue of limited dataset availability and the strict legal and ethical requirements for patient privacy protection, the…

Machine Learning · Computer Science 2023-09-19 Chris Xing Tian , Haoliang Li , Yufei Wang , Shiqi Wang

Recently, Geometric Deep Learning (GDL) has been introduced as a novel and versatile framework for computer-aided disease classification. GDL uses patient meta-information such as age and gender to model patient cohort relations in a graph…

Machine Learning · Computer Science 2020-05-05 Hendrik Burwinkel , Anees Kazi , Gerome Vivar , Shadi Albarqouni , Guillaume Zahnd , Nassir Navab , Seyed-Ahmad Ahmadi

The success of deep learning has set new benchmarks for many medical image analysis tasks. However, deep models often fail to generalize in the presence of distribution shifts between training (source) data and test (target) data. One…

Image and Video Processing · Electrical Eng. & Systems 2022-06-28 Dwarikanath Mahapatra

Image alignment across domains has recently become one of the realistic and popular topics in the research community. In this problem, a deep learning-based image alignment method is usually trained on an available largescale database.…

Computer Vision and Pattern Recognition · Computer Science 2019-06-03 Thanh-Dat Truong , Khoa Luu , Chi Nhan Duong , Ngan Le , Minh-Triet Tran

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Graph representation learning based on graph neural networks (GNNs) can greatly improve the performance of downstream tasks, such as node and graph classification. However, the general GNN models do not aggregate node information in a…

Machine Learning · Computer Science 2020-07-30 Fei Ding , Xiaohong Zhang , Justin Sybrandt , Ilya Safro

Convolutional Neural Networks (CNNs) achieve impressive performance in a wide variety of fields. Their success benefited from a massive boost when very deep CNN models were able to be reliably trained. Despite their merits, CNNs fail to…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Guohao Li , Matthias Müller , Ali Thabet , Bernard Ghanem

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…

Machine Learning · Computer Science 2020-11-20 Tao Huang , Yihan Zhang , Jiajing Wu , Junyuan Fang , Zibin Zheng

Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger…

Machine Learning · Computer Science 2023-10-27 Hyungeun Lee , Kijung Yoon

Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

Machine Learning · Computer Science 2020-12-15 Davide Buffelli , Fabio Vandin

Despite the recent success of Graph Neural Networks, it remains challenging to train a GNN on large graphs with millions of nodes and billions of edges, which are prevalent in many graph-based applications. Traditional sampling-based…

Machine Learning · Computer Science 2022-10-04 Zheng Chai , Guangji Bai , Liang Zhao , Yue Cheng

Communication is a key bottleneck for distributed graph neural network (GNN) training. This paper proposes GNNPipe, a new approach that scales the distributed full-graph deep GNN training. Being the first to use layer-level model…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-26 Jingji Chen , Zhuoming Chen , Xuehai Qian

Exploring the complex structure of the human brain is crucial for understanding its functionality and diagnosing brain disorders. Thanks to advancements in neuroimaging technology, a novel approach has emerged that involves modeling the…

Machine Learning · Computer Science 2024-06-06 Xuexiong Luo , Jia Wu , Jian Yang , Shan Xue , Amin Beheshti , Quan Z. Sheng , David McAlpine , Paul Sowman , Alexis Giral , Philip S. Yu

Graph Convolutional Networks (GCNs) have been drawing significant attention with the power of representation learning on graphs. Unlike Convolutional Neural Networks (CNNs), which are able to take advantage of stacking very deep layers,…

Machine Learning · Computer Science 2020-06-16 Guohao Li , Chenxin Xiong , Ali Thabet , Bernard Ghanem

Graph learning has become essential in various domains, including recommendation systems and social network analysis. Graph Neural Networks (GNNs) have emerged as promising techniques for encoding structural information and improving…

Machine Learning · Computer Science 2024-10-10 Lianghao Xia , Ben Kao , Chao Huang
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