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Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…

Machine Learning · Computer Science 2022-11-17 Ahmed ElGazzar , Rajat Thomas , Guido van Wingen

Recently, Graph Convolutional Networks (GCNs) have proven to be a powerful mean for Computer Aided Diagnosis (CADx). This approach requires building a population graph to aggregate structural information, where the graph adjacency matrix…

Artificial Intelligence · Computer Science 2021-06-17 Hao Chen , Fuzhen Zhuang , Li Xiao , Ling Ma , Haiyan Liu , Ruifang Zhang , Huiqin Jiang , Qing He

Graph Neural Networks (GNNs) are de facto solutions to structural data learning. However, it is susceptible to low-quality and unreliable structure, which has been a norm rather than an exception in real-world graphs. Existing graph…

Machine Learning · Computer Science 2023-03-20 Dongcheng Zou , Hao Peng , Xiang Huang , Renyu Yang , Jianxin Li , Jia Wu , Chunyang Liu , Philip S. Yu

Semi-supervised learning on graph structured data has received significant attention with the recent introduction of Graph Convolution Networks (GCN). While traditional methods have focused on optimizing a loss augmented with Laplacian…

Machine Learning · Computer Science 2019-01-04 Prateek Yadav , Madhav Nimishakavi , Naganand Yadati , Shikhar Vashishth , Arun Rajkumar , Partha Talukdar

Like in many other research fields, recent developments in computational imaging have focused on developing machine learning (ML) approaches to tackle its main challenges. To improve the performance of computational imaging algorithms,…

Image and Video Processing · Electrical Eng. & Systems 2024-08-16 Maximilian B. Kiss , Ander Biguri , Carola-Bibiane Schönlieb , K. Joost Batenburg , Felix Lucka

In this paper, we aim at improving the computational efficiency of graph convolutional networks (GCNs) for learning on point clouds. The basic graph convolution that is typically composed of a $K$-nearest neighbor (KNN) search and a…

Computer Vision and Pattern Recognition · Computer Science 2021-04-13 Yawei Li , He Chen , Zhaopeng Cui , Radu Timofte , Marc Pollefeys , Gregory Chirikjian , Luc Van Gool

In this work, we are interested in generalizing convolutional neural networks (CNNs) from low-dimensional regular grids, where image, video and speech are represented, to high-dimensional irregular domains, such as social networks, brain…

Machine Learning · Computer Science 2017-02-07 Michaël Defferrard , Xavier Bresson , Pierre Vandergheynst

Anatomical segmentation is a fundamental task in medical image computing, generally tackled with fully convolutional neural networks which produce dense segmentation masks. These models are often trained with loss functions such as…

Image and Video Processing · Electrical Eng. & Systems 2022-11-28 Nicolás Gaggion , Lucas Mansilla , Candelaria Mosquera , Diego H. Milone , Enzo Ferrante

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

Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…

Machine Learning · Computer Science 2025-04-29 Radia Berreziga , Mohammed Brahimi , Khairedine Kraim , Hamid Azzoune

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

In recent years, there has been a growing interest in mapping data from different domains to graph structures. Among others, neural network models such as the multi-layer perceptron (MLP) can be modeled as graphs. In fact, MLPs can be…

Machine Learning · Statistics 2024-02-06 Giannis Nikolentzos , Siyun Wang , Johannes Lutzeyer , Michalis Vazirgiannis

Recent advances in molecular representation learning have produced highly effective encodings of molecules for numerous cheminformatics and bioinformatics tasks. However, extracting general chemical insight while balancing predictive…

Machine Learning · Computer Science 2025-09-26 Rahul Khorana

Understanding how neural networks generalize on unseen data is crucial for designing more robust and reliable models. In this paper, we study the generalization gap of neural networks using methods from topological data analysis. For this…

Graph Convolutional Networks (GCNs) have been successfully applied to analyze non-grid data, where the classical convolutional neural networks (CNNs) cannot be directly used. One similarity shared by GCNs and CNNs is the requirement of…

Computer Vision and Pattern Recognition · Computer Science 2020-06-04 Qikui Zhu , Bo Du , Pingkun Yan

Convolutional Neural Networks have revolutionized vision applications. There are image domains and representations, however, that cannot be handled by standard CNNs (e.g., spherical images, superpixels). Such data are usually processed…

Computer Vision and Pattern Recognition · Computer Science 2022-07-20 David Hart , Michael Whitney , Bryan Morse

Graph neural networks (GNNs) have demonstrated their effectiveness in various tasks supported by their generalization capabilities. However, the current analysis of GNN generalization relies on the assumption that training and testing data…

Machine Learning · Computer Science 2024-09-11 Zhiyang Wang , Juan Cervino , Alejandro Ribeiro

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying…

Machine Learning · Computer Science 2023-12-21 Zhengyu Chen , Teng Xiao , Kun Kuang , Zheqi Lv , Min Zhang , Jinluan Yang , Chengqiang Lu , Hongxia Yang , Fei Wu

We define a novel type of ensemble Graph Convolutional Network (GCN) model. Using optimized linear projection operators to map between spatial scales of graph, this ensemble model learns to aggregate information from each scale for its…

Machine Learning · Computer Science 2020-04-08 C. B. Scott , Eric Mjolsness

The Convolutional Neural Network (CNN) has been successfully applied in many fields during recent decades; however it lacks the ability to utilize prior domain knowledge when dealing with many realistic problems. We present a framework…

Computer Vision and Pattern Recognition · Computer Science 2018-09-05 Yangling Ma , Yixin Luo , Zhouwang Yang