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arXiv 2025年

作者： Zeng, Jinzhe Zhang, Duo Peng, Anyang Zhang, Xiangyu He, Sensen Wang, Yan Liu, Xinzijian Bi, Hangrui Li, Yifan Cai, Chun Zhang, Chengqian Du, Yiming Zhu, Jia-Xin Mo, Pinghui Huang, Zhengtao Zeng, Qiyu Shi, Shaochen Qin, Xuejian Yu, Zhaoxi Luo, Chenxing Ding, Ye Liu, Yun-Pei Shi, Ruosong Wang, Zhenyu Bore, Sigbjørn Løland Chang, Junhan Deng, Zhe Ding, Zhaohan Han, Siyuan Jiang, Wanrun Ke, Guolin Liu, Zhaoqing Lu, Denghui Muraoka, Koki Oliaei, Hananeh Singh, Anurag Kumar Que, Haohui Xu, Weihong Xu, Zhangmancang Zhuang, Yong-Bin Dai, Jiayu Giese, Timothy J. Jia, Weile Xu, Ben York, Darrin M. Zhang, Linfeng Wang, Han School of Artificial Intelligence and Data Science Unversity of Science and Technology of China Hefei China AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China State Key Lab of Processors Institute of Computing Technology Chinese Academy of Sciences Beijing100871 China University of Chinese Academy of Sciences Beijing China Baidu Inc. Beijing China Department of Computer Science University of Toronto TorontoON Canada Department of Chemistry Princeton University PrincetonNJ08540 United States University of Chinese Academy of Sciences Beijing100871 China State Key Laboratory of Physical Chemistry of Solid Surfaces iChEM College of Chemistry and Chemical Engineering Xiamen University Xiamen361005 China College of Integrated Circuits Hunan University Changsha410082 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center for Smart Materials and Device Integration School of Material Science and Engineering Wuhan University of Technology Wuhan430070 China College of Science National University of Defense Technology Changsha410073 China Hunan Key Laboratory of Extreme Matter and Applications National University of Defense Technology Changsha410073 China ByteDance Research Beijing100098 China Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo315201 China College of Materials Science and Opto-Electronic Technology University of Chinese Academy of Sciences Beijing100049 China Key Laboratory of Theoretical and Computational Photochemistry of Ministry of Education College of Chemistry Beijing Normal University Beijing100875 China Department of Geosciences Princeton University PrincetonNJ08544 United States Department of Applied Physics and Applied Mathematics Columbia University New YorkNY10027 United States IKKEM Fujian Xiamen361005 China Graduate

In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for molecular dynamics (MD) simulations and related applications. These packages, typically built on specific machine learning frameworks such as TensorFlow, PyTorch, or JAX, face integration challenges when advanced applications demand communication across different frameworks. The previous TensorFlow-based implementation of DeePMD-kit exemplified these limitations. In this work, we introduce DeePMD-kit version 3, a significant update featuring a multi-backend framework that supports TensorFlow, PyTorch, JAX, and PaddlePaddle backends, and demonstrate the versatility of this architecture through the integration of other MLPs packages and of Differentiable Molecular Force Field. This architecture allows seamless backend switching with minimal modifications, enabling users and developers to integrate DeePMD-kit with other packages using different machine learning frameworks. This innovation facilitates the development of more complex and interoperable workflows, paving the way for broader applications of MLPs in scientific research. Copyright © 2025, The Authors. All rights reserved.

关键词： Molecular dynamics

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Non-Gaussian Lagrangian Stochastic Model for Wind Field Simulation in the Surface Layer

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Advances in Atmospheric sciences 2020年第1期37卷 90-104页

作者： Chao LIU Li FU Dan YANG David R.MILLER Junming WANG Key Laboratory of Dependable Service Computing in Cyber Physical Society Ministry of Education Chongqing UniversityChongqing 401331China School of Big Data and Software Engineering Chongqing UniversityChongqing 401331China Department of Natural Resources and Environment University of ConnecticutStorrsCT 06268USA Climate and Atmospheric Science Section Illinois State Water SurveyPrairie Research InstituteUniversity of Illinois at Urbana-ChampaignChampaignIL 61820USA

Wind field simulation in the surface layer is often used to manage natural resources in terms of air quality,gene flow(through pollen drift),and plant disease transmission(spore dispersion).Although Lagrangian stochastic(LS)models describe stochastic wind behaviors,such models assume that wind velocities follow Gaussian ***,measured surface-layer wind velocities show a strong skewness and *** paper presents an improved model,a non-Gaussian LS model,which incorporates controllable non-Gaussian random variables to simulate the targeted non-Gaussian velocity distribution with more accurate skewness and *** velocity statistics generated by the non-Gaussian model are evaluated by using the field data from the Cooperative Atmospheric Surface Exchange Study,October 1999 experimental dataset and comparing the data with statistics from the original Gaussian *** show that the non-Gaussian model improves the wind trajectory simulation by stably producing precise skewness and kurtosis in simulated wind velocities without sacrificing other features of the traditional Gaussian LS model,such as the accuracy in the mean and variance of simulated *** improvement also leads to better accuracy in friction velocity(i.e.,a coupling of three-dimensional velocities).The model can also accommodate various non-Gaussian wind fields and a wide range of skewness–kurtosis ***,improved skewness and kurtosis in the simulated velocity will result in a significantly different dispersion for wind/particle ***,the non-Gaussian model is worth applying to wind field simulation in the surface layer.

关键词： Lagrangian stochastic model wind field simulation non-Gaussian wind velocity surface layer

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A Mobile Cloud-Based eHealth Scheme

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Computers, Materials & Continua 2020年第4期63卷 31-39页

作者： Yihe Liu Aaqif Afzaal Abbasi Atefeh Aghaei Almas Abbasi Amir Mosavi Shahaboddin Shamshirband Mohammed A.A.Al-qaness Data Recovery Key Laboratory of Sichuan Province College of Computer Science and AINeijiang Normal UniversityNeijiang641100China Department of Software Engineering Foundation UniversityIslamabad44000Pakistan Department of Communication Faculty of Social SciencesUniversity of TehranTehran***Iran Department of Computer Science International Islamic UniversityIslamabad46000Pakistan Institute of Research and Development Duy Tan UniversityDa Nang550000Vietnam Kalman Kando Faculty of Electrical Engineering Obuda UniversityBudapest1034Hungary School of the Built Environment Oxford Brookes UniversityOxfordOX30BPUK Department for Management of Science and Technology Development Ton Duc Thang UniversityHo Chi Minh CityVietnam Faculty of Information Technology Ton Duc Thang UniversityHo Chi Minh CityVietnam School of Computer Science Wuhan UniversityWuhan430072China

Mobile cloud computing is an emerging field that is gaining popularity across borders at a rapid ***,the field of health informatics is also considered as an extremely important *** work observes the collaboration between these two fields to solve the traditional problem of extracting Electrocardiogram signals from trace reports and then performing *** developed system has two front ends,the first dedicated for the user to perform the photographing of the trace *** the photographing is complete,mobile computing is used to extract the *** the signal is extracted,it is uploaded into the server and further analysis is performed on the signal in the *** this is done,the second interface,intended for the use of the physician,can download and view the trace from the *** data is securely held using a password-based authentication *** system presented here is one of the first attempts at delivering the total solution,and after further upgrades,it will be possible to deploy the system in a commercial setting.

关键词： Cloud computing electrocardiograms health-care signal analysis signal processing

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PRAD: Unsupervised KPI Anomaly Detection by Joint Prediction and Reconstruction of Multivariate Time Series

PRAD: Unsupervised KPI Anomaly Detection by Joint Prediction...

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Symposia and Workshops on Ubiquitous, Autonomic and Trusted Computing, UIC-ATC

作者： Zhiying Xiong Qilin Fan Kai Wang Xiuhua Li Xu Zhang Qingyu Xiong School of Big Data and Software Engineering Chongqing University Chongqing China Chongqing Key Laboratory of Digital Cinema Art Theory and Technology Chongqing University Chongqing China School of Computer Science and Technology Harbin Institute of Technology Weihai China Research Institute of Cyberspace Security Harbin Institute of Technology Weihai China Haihe Laboratory of Information Technology Application Innovation Tianjin China Department of Computer Science University of Exeter Exeter UK

Detecting anomalies for key performance indicator (KPI) data is of paramount importance to ensure the quality and reliability of network services. However, building the anomaly detection system for KPI is challenging due to the scarcity of abnormal labels and highly dynamic or even unseen patterns. In this paper, we propose an unsupervised KPI anomaly detection framework named PRAD by jointly optimizing prediction-based and reconstruction-based modules. Specifically, PRAD employs two parallel graph attention networks (GATs) to learn metric-oriented and time-oriented relationships. A temporal convolutional attention network (TCAN) is used to capture complex long-term dependencies. Furthermore, to tackle the overfitting issue in the variational auto-encoder (VAE), PRAD designs a reconstruction-based module that combines VAE with a generative adversarial network (GAN). The experimental results on the two public datasets demonstrate that the proposed PRAD outperforms existing anomaly detection methods.

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Novel Truncated-rank Graph-structured and Tree-guided Sparse Linear Mixed Models for Variable Selection on Genome-wide Association Studies

Novel Truncated-rank Graph-structured and Tree-guided Sparse...

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IEEE International Conference on Bioinformatics and Biomedicine (BIBM)

作者： Xiang Liu Xueling Liu Jing Diao Mengyao Zheng Jihe Li Yongyi Xie Kang Lai Xiao Geng Yijun Song Linshan Jiang School of Computing National University of Singapore Group Technology Office National University Health System Department of Preventive Dentistry Peking University School and Hospital of Stomatology National Center for Stomatology & National Clinical Research Center for Oral Diseases Harvard T.H. Chan School of Public Health Harvard University School of Software and Microelectronics Peking University Shanghai Skin Disease Hospital Institute of Dermatology School of Medicine Tongji University School of Mechanical & Aerospace Engineering Nanyang Technological University Orthopaedic Department Peking University Third Hospital Engineering Research Center of Bone and Joint Precision Medicine Ministry of Education Dongfang College Zhejiang University of Finance & Economics Institute of Data Science National University of Singapore

ISBN: (数字)9798350386226

ISBN: (纸本)9798350386233

Variable selection for genome-wide association studies is a key focus for bioinformatics researchers in high-performance computing. The rapid growth of biological and biomedical data demands has led to high-dimensional, heterogeneous datasets characterized by non-i.i.d. properties and numerous response variables, often resulting in false negatives or positives in recovered results. Traditional methods, when nal̈ively applied, yield suboptimal performance due to confounding factors. To account for the complex interdependencies in heterogeneous data and enhance the practical outcomes of genome-wide association studies, we introduce two methods, TGsLMM and TTsLMM, which balance effects between response and explanatory variables for subpopulation inference. Our unified framework performs sparse variable selection using graph-structured or tree-guided structures in a low-rank linear mixed model. Additionally, we extend our approach to high-dimensional datasets and adaptively select the covariance structure for genomic data. Extensive experiments on synthetic and three real-world datasets emphasize the robustness and effectiveness of our proposed methods, achieving the highest ROC area compared to baselines and superior results for future potential.

关键词： Adaptation models Input variables Biological system modeling High performance computing Noise Genomics Medical services data models Robustness Bioinformatics

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Incorruptible Auditing: Blockchain-Powered Graph database Management

Incorruptible Auditing: Blockchain-Powered Graph Database Ma...

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IEEE International Conference on Blockchain and Cryptocurrency (ICBC)

作者： Victor Ermolaev Indrek Klangberg Yash Madhwal Silver Vapper Sjoerd Wels Yury Yanovich Software Department Bitfury Amsterdam The Netherlands Electrical Engineering Mathematics and Computer Science Department University of Twente Enschede The Netherlands Center for Computational and Data-Intensive Science and Engineering Skolkovo Institute of Science and Technology (Skoltech) Moscow Russia

ISBN: (数字)9781728166803

ISBN: (纸本)9781728166810

In modern and interconnected world, information is accumulatively stored digitally, making the process of exchanging, gathering and querying the information much easier. Continuously, it has introduced new challenges about how to ensure its consistency and reliability due to the sheer volume of data. A blockchain-based information system can provide an incorruptible record of history, enabling better auditing and data management practices. The paper describes how to combine an Exonum blockchain and a Neo4j graph database into a system that can provide a verifiable audit trail of data integrity and its modifications for information stored in a graph database.

关键词： History Bitcoin Peer-to-peer computing Contracts

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Image super-resolution with an enhanced group convolutional neural network

arXiv

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arXiv 2022年

作者： Tian, Chunwei Yuan, Yixuan Zhang, Shichao Lin, Chia-Wen Zuo, Wangmeng Zhang, David School of Software Northwestern Polytechnical University Shaanxi Xi’an710129 China National Engineering Laboratory for Integrated Aero-Space-Ground-Ocean Big Data Application Technology Shaanxi Xi’an710129 China Department of Electrical Engineering City University of Hong Kong Hong Kong School of Computer Science and Engineering Central South University Hunan Changsha410083 China Department of Electrical Engineering the Institute of Communications Engineering National Tsing Hua University Hsinchu Taiwan School of Computer Science and Technology Harbin Institute of Technology Heilongjiang Harbin150001 China Peng Cheng Laboratory Guangdong Shenzhen518055 China Guangdong Shenzhen518172 China Shenzhen Institute of Artificial Intelligence and Robotics for Society Shenzhen China

CNNs with strong learning abilities are widely chosen to resolve super-resolution problem. However, CNNs depend on deeper network architectures to improve performance of image super-resolution, which may increase computational cost in general. In this paper, we present an enhanced super-resolution group CNN (ESRGCNN) with a shallow architecture by fully fusing deep and wide channel features to extract more accurate low-frequency information in terms of correlations of different channels in single image super-resolution (SISR). Also, a signal enhancement operation in the ESRGCNN is useful to inherit more long-distance contextual information for resolving long-term dependency. An adaptive up-sampling operation is gathered into a CNN to obtain an image super-resolution model with low-resolution images of different sizes. Extensive experiments report that our ESRGCNN surpasses the state-of-the-arts in terms of SISR performance, complexity, execution speed, image quality evaluation and visual effect in SISR. Code is found at https://***/hellloxiaotian/ESRGCNN. Copyright © 2022, The Authors. All rights reserved.

关键词： Convolution

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Location embedding based pairwise distance learning for fine-grained diagnosis of urinary stones

arXiv

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arXiv 2024年

作者： Jin, Qiangguo Huang, Jiapeng Sun, Changming Cui, Hui Xuan, Ping Su, Ran Wei, Leyi Wu, Yu-Jie Wu, Chia-An Duh, Henry B.L. Lu, Yueh-Hsun School of Software Northwestern Polytechnical University Shaanxi China Yangtze River Delta Research Institute of NPU Suzhou China CSIRO Data61 Sydney Australia Department of Computer Science and Information Technology La Trobe University Melbourne Australia School of Engineering Shantou University Guangdong China College of Intelligence and Computing Tianjin University Tianjin China School of Information Xiamen University Xiamen China AIDD Faculty of Applied Science Macao Polytechnic University China Department of Radiology Shuang-Ho Hospital Taipei Medical University Taipei Taiwan Master of Public Health Program National Yang Ming Chiao Tung University Taipei Taiwan School of Design The Hong Kong Polytechnic University Hong Kong Department of Radiology School of Medicine College of Medicine Taipei Medical University Taipei Taiwan

The precise diagnosis of urinary stones is crucial for devising effective treatment strategies. The diagnostic process, however, is often complicated by the low contrast between stones and surrounding tissues, as well as the variability in stone locations across different patients. To address this issue, we propose a novel location embedding based pairwise distance learning network (LEPD-Net) that leverages low-dose abdominal X-ray imaging combined with location information for the fine-grained diagnosis of urinary stones. LEPD-Net enhances the representation of stone-related features through context-aware region enhancement, incorporates critical location knowledge via stone location embedding, and achieves recognition of fine-grained objects with our innovative fine-grained pairwise distance learning. Additionally, we have established an in-house dataset on urinary tract stones to demonstrate the effectiveness of our proposed approach. Comprehensive experiments conducted on this dataset reveal that our framework significantly surpasses existing state-of-the-art methods. Copyright © 2024, The Authors. All rights reserved.

关键词： Embeddings

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Kernel-Based Fuzzy Intuitionistic Possibilistic Clustering: Analyzing High-Dimensional Gene Expression Cancer database

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data-Enabled Discovery and Applications 2020年第1期4卷 1-18页

作者： R, Kannan S Kashyap, Esha Last, Mark Department of Mathematics Pondicherry University Puducherry India Head of Ben-Gurion University Data Science Research Center Department of Software and Information Systems Engineering Ben-Gurion University of the Negev Beer-Sheva Israel

Identifying cohesion of genes for subtypes of diseases in a high-dimensional gene expression database is a highly challenging problem, since the subtypes are based on slight intensity differences between gene expressions. The existed clustering methods are biased with training dataset in identifying the subtypes, and the methods have received irrelevant subtypes. Therefore, this paper introduces unsupervised way of fuzzy clustering to identify the subtypes of genes in a breast cancer database. Here, we have used the dataset which contains 12,634 genes and 288 for finding three available subclasses. In order to cluster the similar intensity genes in the breast cancer dataset, this paper incorporates possibilistic approach, intuitionistic fuzzy sets, and kernel functions with proposed fuzzy clustering techniques. The experimental part of this paper shows that the proposed clustering method how notably identifies the similar gene patterns for common subtypes of breast cancer.

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Deep Learning in Digital Breast Tomosynthesis: Current Status, Challenges, and Future Trends

MedComm

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MedComm 2025年第6期6卷 e70247页

作者： Wang, Ruoyun Chen, Fanxuan Chen, Haoman Lin, Chenxing Shuai, Jincen Wu, Yutong Ma, Lixiang Hu, Xiaoqu Wu, Min Wang, Jin Zhao, Qi Shuai, Jianwei Pan, Jingye Oujiang Laboratory (Zhejiang Lab for Regenerative Medicine Vision and Brain Health) Wenzhou Institute University of Chinese Academy of Sciences Wenzhou China Wenzhou Medical University Wenzhou China UCSC Baskin School of Engineering University of California Santa Cruz CA United States Department of Anatomy Histology & Embryology School of Basic Medical Sciences Fudan University Shanghai China Department of Medicine Harvard Medical School and Brigham and Women's Hospital Boston MA United States Joint Research Centre on Medicine The Affiliated Xiangshan Hospital of Wenzhou Medical University Ningbo China Stony Brook University Stony Brook NY United States School of Computer Science and Software Engineering University of Science and Technology Liaoning Anshan China Key Laboratory of Intelligent Treatment and Life Support for Critical Diseases of Zhejiang Province Wenzhou China Department of Big Data in Health Science The First Affiliated Hospital of Wenzhou Medical University Wenzhou China Zhejiang Engineering Research Center for Hospital Emergency and Process Digitization Wenzhou China

The high-resolution three-dimensional (3D) images generated with digital breast tomosynthesis (DBT) in the screening of breast cancer offer new possibilities for early disease diagnosis. Early detection is especially important as the incidence of breast cancer increases. However, DBT also presents challenges in terms of poorer results for dense breasts, increased false positive rates, slightly higher radiation doses, and increased reading times. Deep learning (DL) has been shown to effectively increase the processing efficiency and diagnostic accuracy of DBT images. This article reviews the application and outlook of DL in DBT-based breast cancer screening. First, the fundamentals and challenges of DBT technology are introduced. The applications of DL in DBT are then grouped into three categories: diagnostic classification of breast diseases, lesion segmentation and detection, and medical image generation. Additionally, the current public databases for mammography are summarized in detail. Finally, this paper analyzes the main challenges in the application of DL techniques in DBT, such as the lack of public datasets and model training issues, and proposes possible directions for future research, including large language models, multisource domain transfer, and data augmentation, to encourage innovative applications of DL in medical imaging. © 2025 The Author(s). MedComm published by Sichuan International Medical Exchange & Promotion Association (SCIMEA) and John Wiley & Sons Australia, Ltd.

关键词： deep learning digital breast tomosynthesis early breast cancer screening medical image analysis public database

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