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Graph convolutional neural network (GCN) has effectively boosted the multi-label image recognition task by introducing label dependencies based on statistical label co-occurrence of data. However, in previous methods, label correlation is…

Computer Vision and Pattern Recognition · Computer Science 2020-08-20 Yun Wang , Tong Zhang , Zhen Cui , Chunyan Xu , Jian Yang

Predicting molecular properties (e.g., atomization energy) is an essential issue in quantum chemistry, which could speed up much research progress, such as drug designing and substance discovery. Traditional studies based on density…

Computational Physics · Physics 2019-08-20 Chengqiang Lu , Qi Liu , Chao Wang , Zhenya Huang , Peize Lin , Lixin He

Graph Convolutional Networks (GCNs) have been proved successful in the field of semi-supervised node classification by extracting structural information from graph data. However, the random selection of labeled nodes used by GCNs may lead…

Machine Learning · Computer Science 2023-01-12 Yao Xiao , Ji Xu , Jing Yang , Shaobo Li

Using evolutionary computation algorithms to solve multiple tasks with knowledge sharing is a promising approach. Image feature learning can be considered as a multitask problem because different tasks may have a similar feature space.…

Computer Vision and Pattern Recognition · Computer Science 2021-07-16 Ying Bi , Bing Xue , Mengjie Zhang

Graph convolutional networks (GCNs), which can model the human body skeletons as spatial and temporal graphs, have shown remarkable potential in skeleton-based action recognition. However, in the existing GCN-based methods, graph-structured…

Computer Vision and Pattern Recognition · Computer Science 2022-10-13 Han Chen , Yifan Jiang , Hanseok Ko

Motivation: In recent years, protein function prediction has broken through the bottleneck of sequence features, significantly improving prediction accuracy using high-precision protein structures predicted by AlphaFold2. While…

Machine Learning · Computer Science 2025-04-01 Beibei Wang , Boyue Cui , Shiqu Chen , Xuan Wang , Yadong Wang , Junyi Li

The techniques of data-driven backmapping from coarse-grained (CG) to fine-grained (FG) representation often struggle with accuracy, unstable training, and physical realism, especially when applied to complex systems such as proteins. In…

Machine Learning · Computer Science 2025-05-26 Georgios Kementzidis , Erin Wong , John Nicholson , Ruichen Xu , Yuefan Deng

Gene Ontology (GO) terms are frequently used to score alignments between protein-protein interaction (PPI) networks. Methods exist to measure the GO similarity between two proteins in isolation, but pairs of proteins in a network alignment…

Molecular Networks · Quantitative Biology 2017-04-06 Wayne B. Hayes , Nil Mamano

Aiming at two molecular graph datasets and one protein association subgraph dataset in OGB graph classification task, we design a graph neural network framework for graph classification task by introducing PAS(Pooling Architecture Search).…

Machine Learning · Computer Science 2022-07-14 Xu Wang , Huan Zhao , Lanning Wei , Quanming Yao

The message-passing mechanism underlying Graph Neural Networks (GNNs) is not naturally suited for heterophilic datasets, where adjacent nodes often have different labels. Most solutions to this problem remain confined to the task of node…

Machine Learning · Computer Science 2025-06-30 Andrea Giuseppe Di Francesco , Francesco Caso , Maria Sofia Bucarelli , Fabrizio Silvestri

Recently, graph Convolutional Neural Networks (graph CNNs) have been widely used for graph data representation and semi-supervised learning tasks. However, existing graph CNNs generally use a fixed graph which may be not optimal for…

Computer Vision and Pattern Recognition · Computer Science 2018-11-27 Bo Jiang , Ziyan Zhang , Doudou Lin , Jin Tang

Graph Neural Networks (GNNs) has been widely used in a variety of fields because of their great potential in representing graph-structured data. However, lacking of rigorous uncertainty estimations limits their application in high-stakes.…

Machine Learning · Computer Science 2025-01-07 Ting Wang , Zhixin Zhou , Rui Luo

Recently, the significant achievements have been made in skeleton-based human action recognition with the emergence of graph convolutional networks (GCNs). However, the state-of-the-art (SOTA) models used for this task focus on constructing…

Computer Vision and Pattern Recognition · Computer Science 2025-01-08 Junyi Wang , Ziao Li , Bangli Liu , Haibin Cai , Mohamad Saada , Qinggang Meng

Recent years have witnessed the success of heterogeneous graph neural networks (HGNNs) in modeling heterogeneous information networks (HINs). In this paper, we focus on the benchmark task of HGNNs, i.e., node classification, and empirically…

Social and Information Networks · Computer Science 2023-04-04 Cheng Yang , Xumeng Gong , Chuan Shi , Philip S. Yu

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

Machine Learning · Computer Science 2023-06-16 Yilin Ding , Zhen Liu , Hao Hao

Multi-label image recognition is a task that predicts a set of object labels in an image. As the objects co-occur in the physical world, it is desirable to model label dependencies. Previous existing methods resort to either recurrent…

Computer Vision and Pattern Recognition · Computer Science 2019-10-01 Qing Li , Xiaojiang Peng , Yu Qiao , Qiang Peng

Segmentation-based tracking has been actively studied in computer vision and multimedia. Superpixel based object segmentation and tracking methods are usually developed for this task. However, they independently perform feature…

Computer Vision and Pattern Recognition · Computer Science 2020-09-09 Bo Jiang , Panpan Zhang , Lili Huang

The study of biological processes can greatly benefit from tools that automatically predict gene functions or directly cluster genes based on shared functionality. Existing data mining methods predict protein functionality by exploiting…

Machine Learning · Computer Science 2020-11-20 Kaiyu Shen , Razvan Bunescu , Sarah E. Wyatt

Recent studies often exploit Graph Convolutional Network (GCN) to model label dependencies to improve recognition accuracy for multi-label image recognition. However, constructing a graph by counting the label co-occurrence possibilities of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-08 Jin Ye , Junjun He , Xiaojiang Peng , Wenhao Wu , Yu Qiao

Graph convolutional network (GCN) based approaches have achieved significant progress for solving complex, graph-structured problems. GCNs incorporate the graph structure information and the node (or edge) features through message passing…

Machine Learning · Computer Science 2021-05-04 Saurav Manchanda , Da Zheng , George Karypis