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Recently, Graph Convolutional Network (GCN) has been widely used in Hyperspectral Image (HSI) classification due to its satisfactory performance. However, the number of labeled pixels is very limited in HSI, and thus the available…

Computer Vision and Pattern Recognition · Computer Science 2023-05-03 Wentao Yu , Sheng Wan , Guangyu Li , Jian Yang , Chen Gong

Latent Graph Inference (LGI) relaxed the reliance of Graph Neural Networks (GNNs) on a given graph topology by dynamically learning it. However, most of LGI methods assume to have a (noisy, incomplete, improvable, ...) input graph to rewire…

Machine Learning · Computer Science 2023-08-04 Claudio Battiloro , Indro Spinelli , Lev Telyatnikov , Michael Bronstein , Simone Scardapane , Paolo Di Lorenzo

As a necessary process in drug development, finding a drug compound that can selectively bind to a specific protein is highly challenging and costly. Drug-target affinity (DTA), which represents the strength of drug-target interaction…

Biomolecules · Quantitative Biology 2023-12-18 Zhiqin Zhu , Zheng Yao , Guanqiu Qi , Neal Mazur , Baisen Cong

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

Machine Learning · Computer Science 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through…

Machine Learning · Computer Science 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements…

Machine Learning · Computer Science 2022-08-31 Weimin Zhu , Yi Zhang , DuanCheng Zhao , Jianrong Xu , Ling Wang

We propose a novel framework and a solution to tackle the continual learning (CL) problem with changing network architectures. Most CL methods focus on adapting a single architecture to a new task/class by modifying its weights. However,…

Computer Vision and Pattern Recognition · Computer Science 2023-06-16 Divyam Madaan , Hongxu Yin , Wonmin Byeon , Jan Kautz , Pavlo Molchanov

Graph representation learning is to learn universal node representations that preserve both node attributes and structural information. The derived node representations can be used to serve various downstream tasks, such as node…

Machine Learning · Computer Science 2020-11-16 Yuxiang Ren , Bo Liu , Chao Huang , Peng Dai , Liefeng Bo , Jiawei Zhang

In recent years, heterogeneous graph neural networks (HGNNs) have achieved excellent performance in handling heterogeneous information networks (HINs). Curriculum learning is a machine learning strategy where training examples are presented…

Machine Learning · Computer Science 2024-05-13 Yili Wang

Contrastive deep clustering has recently gained significant attention with its ability of joint contrastive learning and clustering via deep neural networks. Despite the rapid progress, previous works mostly require both positive and…

Machine Learning · Computer Science 2023-01-12 Xiaozhi Deng , Dong Huang , Chang-Dong Wang

Graph Attention Network (GAT) is one of the most popular Graph Neural Network (GNN) architecture, which employs the attention mechanism to learn edge weights and has demonstrated promising performance in various applications. However, since…

Machine Learning · Computer Science 2024-03-05 Qincheng Lu , Jiaqi Zhu , Sitao Luan , Xiao-Wen Chang

Virtual stain transfer leverages computer-assisted technology to transform the histochemical staining patterns of tissue samples into other staining types. However, existing methods often lose detailed pathological information due to the…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Haiyan Wei , Hangrui Xu , Bingxu Zhu , Yulian Geng , Aolei Liu , Wenfei Yin , Jian Liu

Drug-target interaction (DTI) prediction is a critical component of the drug discovery process. In the drug development engineering field, predicting novel drug-target interactions is extremely crucial.However, although existing methods…

Biomolecules · Quantitative Biology 2024-05-24 Hongzhi Zhang , Xiuwen Gong , Shirui Pan , Jia Wu , Bo Du , Wenbin Hu

Accurately predicting the binding affinity between drugs and proteins is an essential step for computational drug discovery. Since graph neural networks (GNNs) have demonstrated remarkable success in various graph-related tasks, GNNs have…

Quantitative Methods · Quantitative Biology 2020-12-18 Jingbo Zhou , Shuangli Li , Liang Huang , Haoyi Xiong , Fan Wang , Tong Xu , Hui Xiong , Dejing Dou

Graph-based collaborative filtering has been established as a prominent approach in recommendation systems, leveraging the inherent graph topology of user-item interactions to model high-order connectivity patterns and enhance…

Information Retrieval · Computer Science 2025-03-21 Fan Huang , Wei Wang

Learning node-level representations of heterophilic graphs is crucial for various applications, including fraudster detection and protein function prediction. In such graphs, nodes share structural similarity identified by the equivalence…

Machine Learning · Computer Science 2023-08-22 Asif Khan , Amos Storkey

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

Predicting drug-drug interactions (DDIs) is essential for safe pharmacological treatments. Previous graph neural network (GNN) models leverage molecular structures and interaction networks but mostly rely on linear aggregation and symmetric…

Machine Learning · Computer Science 2026-02-04 Kunyi Fan , Mengjie Chen , Longlong Li , Cunquan Qu

Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful…

Machine Learning · Computer Science 2021-09-27 Shuangli Li , Jingbo Zhou , Tong Xu , Dejing Dou , Hui Xiong

Contrastive learning has achieved great success in self-supervised visual representation learning, but existing approaches mostly ignored spatial information which is often crucial for visual representation. This paper presents…

Computer Vision and Pattern Recognition · Computer Science 2020-11-20 Xinyue Huo , Lingxi Xie , Longhui Wei , Xiaopeng Zhang , Hao Li , Zijie Yang , Wengang Zhou , Houqiang Li , Qi Tian