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Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…

Machine Learning · Computer Science 2024-09-16 Chengyu Yao , Hong Huang , Hang Gao , Fengge Wu , Haiming Chen , Junsuo Zhao

Linear Graph Convolutional Networks (GCNs) are used to classify the node in the graph data. However, we note that most existing linear GCN models perform neural network operations in Euclidean space, which do not explicitly capture the…

Machine Learning · Computer Science 2024-06-17 Qiuyu Liang , Weihua Wang , Feilong Bao , Guanglai Gao

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Machine Learning · Computer Science 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

At present, there are a large number of quantum neural network models to deal with Euclidean spatial data, while little research have been conducted on non-Euclidean spatial data. In this paper, we propose a novel quantum graph…

Signal Processing · Electrical Eng. & Systems 2021-07-08 Jin Zheng , Qing Gao , Yanxuan Lv

Graph-level representations are crucial tools for characterising structural differences between graphs. However, comparing graphs with different cardinalities, even when sampled from the same underlying distribution, remains challenging.…

Machine Learning · Computer Science 2026-05-08 Katharina Limbeck , Nadja Häusermann , Martin Carrasco , Guy Wolf , Bastian Rieck

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular…

Machine Learning · Computer Science 2020-09-29 Zeren Shui , George Karypis

Colorectal cancer (CRC) grading is typically carried out by assessing the degree of gland formation within histology images. To do this, it is important to consider the overall tissue micro-environment by assessing the cell-level…

Image and Video Processing · Electrical Eng. & Systems 2019-09-04 Yanning Zhou , Simon Graham , Navid Alemi Koohbanani , Muhammad Shaban , Pheng-Ann Heng , Nasir Rajpoot

In recent years, deep learning based methods have shown success in essential medical image analysis tasks such as segmentation. Post-processing and refining the results of segmentation is a common practice to decrease the misclassifications…

Image and Video Processing · Electrical Eng. & Systems 2021-08-29 Ufuk Demir , Atahan Ozer , Yusuf H. Sahin , Gozde Unal

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

Graph convolutional neural networks have shown significant potential in natural and histopathology images. However, their use has only been studied in a single magnification or multi-magnification with late fusion. In order to leverage the…

Computer Vision and Pattern Recognition · Computer Science 2023-08-22 Roozbeh Bazargani , Ladan Fazli , Larry Goldenberg , Martin Gleave , Ali Bashashati , Septimiu Salcudean

Many real-world problems can be represented as graph-based learning problems. In this paper, we propose a novel framework for learning spatial and attentional convolution neural networks on arbitrary graphs. Different from previous…

Machine Learning · Computer Science 2019-02-26 Hao Peng , Jianxin Li , Qiran Gong , Senzhang Wang , Yuanxing Ning , Philip S. Yu

Convolutional neural networks (CNNs) are widely used for image recognition and text analysis, and have been suggested for application on one-dimensional data as a way to reduce the need for pre-processing steps. Pre-processing is an…

Machine Learning · Computer Science 2020-05-18 Ine L. Jernelv , Dag Roar Hjelme , Yuji Matsuura , Astrid Aksnes

Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…

Machine Learning · Computer Science 2021-10-14 Dhananjay Bhaskar , Jackson D. Grady , Michael A. Perlmutter , Smita Krishnaswamy

Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs).…

Machine Learning · Computer Science 2024-08-22 Zixiao Wang , Jicong Fan

Machine learning techniques have recently been adopted in various applications in medicine, biology, chemistry, and material engineering. An important task is to predict the properties of molecules, which serves as the main subroutine in…

Machine Learning · Computer Science 2019-11-12 Shengchao Liu , Mehmet Furkan Demirel , Yingyu Liang

We propose a novel computational framework leveraging hypergraph theory to analyse cancer stem cell markers (CSCMs) across multiple organs. Hypergraphs provide a robust representation of CSCM co-expression patterns, capturing their complex…

Biological Physics · Physics 2025-08-01 David H. Margarit , Gustavo Paccosi , Marcela V. Reale , Lilia M. Romanelli

Colon cancer also known as Colorectal cancer, is one of the most malignant types of cancer worldwide. Early-stage detection of colon cancer is highly crucial to prevent its deterioration. This research presents a hybrid multi-scale deep…

Computer Vision and Pattern Recognition · Computer Science 2025-09-04 Sadra Saremi , Amirhossein Ahmadkhan Kordbacheh

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…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Akhila Krishna K , Ravi Kant Gupta , Nikhil Cherian Kurian , Pranav Jeevan , Amit Sethi

Nuclei classification is a critical step in computer-aided diagnosis with histopathology images. In the past, various methods have employed graph neural networks (GNN) to analyze cell graphs that model inter-cell relationships by…

Computer Vision and Pattern Recognition · Computer Science 2024-02-21 Wei Lou , Guanbin Li , Xiang Wan , Haofeng Li

Graph-based semi-supervised learning, which can exploit the connectivity relationship between labeled and unlabeled data, has been shown to outperform the state-of-the-art in many artificial intelligence applications. One of the most…

Machine Learning · Computer Science 2022-01-28 Jianpeng Liao , Qian Tao , Jun Yan
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