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Anomaly Detection in IoT Environments Using Machine Learning: A Bibliometric Review, Challenges, and Future Research Directions 使用机器学习的物联网环境中的异常检测:文献计量回顾,挑战和未来的研究方向
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-23 DOI: 10.1002/cpe.70605
Mohd Ahsan Siddiqui, Mala Kalra, C. Rama Krishna

The rapid proliferation of Internet of Things (IoT) systems has underscored the critical need for robust security measures to safeguard interconnected devices and data. This study presents an extensive bibliometric analysis of research advancements in anomaly detection in an IoT environment, leveraging data from the Web of Science repository to comprehend key trends, influential contributors, and evolving research themes. The analysis identifies the most prolific organizations, authors, and countries contributing to IoT anomaly detection literature, highlighting global scientific production and collaboration networks. The study traces publication trends, revealing the temporal distribution of article production and the impact of locally and globally cited sources. It also examines the most relevant authors in the field, their scholarly influence, and the dynamics of their research output over time. The co-occurrence of authors' keywords provides insights into emerging themes and the evolution of research focus areas. At the same time, a detailed review of the most globally cited articles elucidates foundational contributions to the field. Additionally, the study analyzes the frequency and evolution of key terms, identifying trending topics that shape current and future research. The authors' and countries' collaboration networks illustrate the extent of international cooperation, highlighting key partnerships driving innovation. The application areas, challenges, and future research directions are also discussed, offering valuable guidance for further research. This bibliometric analysis offers a valuable resource for researchers and practitioners seeking to understand this domain's development, current state, and future research trajectory.

物联网(IoT)系统的快速扩散凸显了对强大安全措施的迫切需求,以保护互联设备和数据。本研究对物联网环境中异常检测的研究进展进行了广泛的文献计量分析,利用Web of Science知识库中的数据来理解关键趋势、有影响力的贡献者和不断发展的研究主题。该分析确定了对物联网异常检测文献贡献最多的组织、作者和国家,突出了全球科学生产和协作网络。该研究追踪了出版趋势,揭示了文章生产的时间分布以及本地和全球引用来源的影响。它还考察了该领域最相关的作者,他们的学术影响,以及他们的研究成果随时间的动态。作者关键词的共同出现提供了对新兴主题和研究重点领域演变的见解。同时,对全球引用最多的文章的详细回顾阐明了该领域的基础贡献。此外,该研究还分析了关键术语的频率和演变,确定了影响当前和未来研究的趋势话题。作者和国家的合作网络说明了国际合作的程度,突出了推动创新的关键伙伴关系。并对其应用领域、面临的挑战和未来的研究方向进行了讨论,为进一步的研究提供了有价值的指导。这种文献计量学分析为研究人员和从业者寻求了解该领域的发展、现状和未来的研究轨迹提供了宝贵的资源。
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引用次数: 0
Efficient Scheduling Algorithms for Multicore Cyclic Executives With Precedence and Exclusion Relations 具有优先和排斥关系的多核循环执行器的高效调度算法
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-23 DOI: 10.1002/cpe.70629
Bruno Nogueira, Alfredo Lima, Eduardo Tavares, Rodrigo Paes, Francisco Airton Silva

Cyclic executives (CEs) offer the advantage of ensuring complete determinism with minimal runtime overhead, often making them the preferred choice for safety-critical real-time systems. However, generating CEs for multicore processors while addressing task precedence and exclusion relations presents significant challenges. In this paper, unlike previous work, we tackle these challenges by proposing integer linear programming (ILP) models to generate optimal preemptive and non-preemptive CEs, considering both partitioned and global work allocation schemes. Additionally, we introduce a local search-based heuristic to efficiently produce approximate solutions. Our methods are evaluated on both synthetic and benchmark instances from the literature, encompassing thousands of tasks and complex inter-task dependencies, and include a direct comparison with a state-of-the-art approximation method. The experimental results highlight the effectiveness of the proposed approaches in generating optimal or near-optimal CEs for large-scale task sets.

循环执行器(CEs)提供了以最小的运行时开销确保完全确定性的优势,通常使它们成为安全关键型实时系统的首选。然而,在处理任务优先级和排除关系的同时为多核处理器生成ce提出了重大挑战。在本文中,与以往的工作不同,我们通过提出整数线性规划(ILP)模型来解决这些挑战,以生成最优的抢占式和非抢占式ce,同时考虑分区和全局工作分配方案。此外,我们引入了一种基于局部搜索的启发式算法来有效地产生近似解。我们的方法在文献中的综合和基准实例上进行了评估,包括数千个任务和复杂的任务间依赖关系,并与最先进的近似方法进行了直接比较。实验结果强调了所提出的方法在大规模任务集生成最优或接近最优ce方面的有效性。
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引用次数: 0
Enhancing Security and Privacy in Delay-Tolerant Networks Through the Use of Blockchain Technology 利用区块链技术增强容延迟网络的安全性和隐私性
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-23 DOI: 10.1002/cpe.70633
Pradosh Kumar Gantayat, Madhusmita Majhi

Delay-tolerant networks (DTNs) are increasingly used in environments characterized by intermittent connectivity, long delays, and limited resources, such as disaster recovery, vehicular networks, and remote sensing. However, ensuring strong security and privacy in DTNs remains challenging due to unreliable communication links and the lack of continuous trust relationships among nodes. Although blockchain technology offers decentralization, immutability, and enhanced trust, its direct integration into DTNs is hindered by scalability issues, consensus latency, and computational overhead. The motivation of this study is to design a secure and privacy-preserving DTN framework that effectively balances blockchain-induced overhead with network performance. To address these challenges, this work proposes a blockchain-enhanced DTN architecture incorporating multiple optimization and security mechanisms. Adaptive Bilateral Kernel Filtering (ABKF) is employed to eliminate noise while preserving critical data features. Network Function Virtualization Orchestration with Transport Layer Security (NFVO-TLS) ensures authenticated and secure data transmission. Secure Multi-Party Computation (SMPC) enables collaborative computation without revealing private data, while the Hypergraph Partitioning Algorithm (HGPA) improves scalable and efficient data distribution. Furthermore, a Multiplex Adaptive Modality Fusion Graph Attention Network (MAMF-GAN) is integrated to optimize latency and throughput through intelligent data prediction and routing. Simulation results demonstrate that the proposed framework achieves a Packet Delivery Ratio (PDR) of 96%, privacy preservation of 99%, and approximately 95% resistance to impersonation and data manipulation attacks, outperforming existing DTN models. The framework is implemented using Python-based simulations. Future work will focus on real-time threat detection using advanced machine learning models, energy-aware consensus optimization, and validation through real-world DTN testbeds to enhance scalability and practical deployment.

容延迟网络(delay - tolerance network, dtn)越来越多地应用于间歇性连接、长延迟和资源有限的环境中,如灾难恢复、车载网络和遥感。然而,由于不可靠的通信链路和节点之间缺乏持续的信任关系,在ddn中确保强大的安全性和保密性仍然具有挑战性。尽管区块链技术提供了去中心化、不变性和增强的信任,但其直接集成到dtn受到可伸缩性问题、共识延迟和计算开销的阻碍。本研究的动机是设计一个安全和隐私保护的DTN框架,有效地平衡区块链引起的开销和网络性能。为了应对这些挑战,本工作提出了一种区块链增强的DTN架构,该架构包含多种优化和安全机制。采用自适应双边核滤波(ABKF)消除噪声,同时保留关键数据特征。NFVO-TLS (Network Function Virtualization Orchestration with Transport Layer Security),即网络功能虚拟化编排与传输层安全。安全多方计算(SMPC)支持协作计算,而不会泄露私有数据,而超图分区算法(HGPA)提高了数据分布的可扩展性和效率。此外,集成了多路自适应模态融合图注意网络(MAMF-GAN),通过智能数据预测和路由优化延迟和吞吐量。仿真结果表明,该框架实现了96%的包投递率(PDR), 99%的隐私保护,约95%的抗冒充和数据操纵攻击,优于现有的DTN模型。该框架使用基于python的模拟实现。未来的工作将侧重于使用先进的机器学习模型进行实时威胁检测,能源感知共识优化,并通过现实世界的DTN测试平台进行验证,以增强可扩展性和实际部署。
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引用次数: 0
Multi-Step Temperature Prediction for a TGAL Regenerative Aluminum Smelting Furnace TGAL蓄热式炼铝炉的多步温度预测
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-23 DOI: 10.1002/cpe.70623
Hao Jiang, Lingfei Shen, Ningbo Li

This study addresses the industrial challenge that the temperature inside regenerative aluminum smelting furnaces cannot be directly or accurately measured. To overcome this issue, a TGAL hybrid model combining a Temporal Convolutional Network (TCN), Graph Convolutional Network (GCN), Multi-Head Attention mechanism, and Long Short-Term Memory (LSTM) network is proposed for multi-step accurate prediction of furnace temperature. The method first applies wavelet denoising to suppress noise in the industrial data collected by the SCADA system and employs the Pearson correlation coefficient to select highly correlated features, thereby improving the quality of the input data. The proposed TGAL model exploits the synergy of TCN in capturing long-term temporal dependencies, GCN in uncovering spatial correlations among variables, the attention mechanism in dynamically weighting features, and LSTM in temporal dynamic modeling. Validation on 44,640 one-minute data samples from actual production shows that, compared with traditional models, the proposed model achieves maximum improvements of 7.44% in RMSE, 24.85% in MAE, and 25.27% in MAPE for 2-step prediction, respectively. For 10-step prediction, the improvement rates remain at least 4.23% in RMSE, 6.91% in MAE, and 6.31% in MAPE. Moreover, Diebold–Mariano statistical tests confirm that the TGAL model's predictive accuracy is significantly superior to that of the comparison models. Nevertheless, the model performance under extreme operating conditions remains limited by data noise and nonlinear dynamics, and the physical mechanisms of the smelting process have yet to be incorporated. To address these limitations, future work will focus on dynamic coupling modeling and the embedding of physical information to further enhance the model's generalization capability and physical consistency.

本研究解决了蓄热式铝熔炼炉内温度无法直接或准确测量的工业难题。为了克服这一问题,提出了一种结合时序卷积网络(TCN)、图卷积网络(GCN)、多头注意机制和长短期记忆(LSTM)网络的TGAL混合模型,用于炉温的多步精确预测。该方法首先利用小波去噪对SCADA系统采集的工业数据进行噪声抑制,并利用Pearson相关系数选择高度相关的特征,从而提高输入数据的质量。提出的TGAL模型利用了TCN在捕获长期时间依赖性、GCN在揭示变量之间的空间相关性、动态加权特征的注意机制和LSTM在时间动态建模方面的协同作用。对实际生产中44,640个1分钟数据样本的验证表明,与传统模型相比,该模型在两步预测中RMSE、MAE和MAPE分别提高了7.44%、24.85%和25.27%。对于10步预测,RMSE的改善率至少为4.23%,MAE的改善率为6.91%,MAPE的改善率为6.31%。此外,Diebold-Mariano统计检验证实,TGAL模型的预测精度明显优于比较模型。然而,模型在极端操作条件下的性能仍然受到数据噪声和非线性动力学的限制,并且冶炼过程的物理机制尚未纳入。为了解决这些限制,未来的工作将集中在动态耦合建模和物理信息的嵌入上,以进一步提高模型的泛化能力和物理一致性。
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引用次数: 0
Leveraging Squeeze Aggregation Excitation and Positional Encoding in ResNet-50 for Rice Leaf Disease Classification 利用ResNet-50压缩聚集激励和位置编码进行水稻叶病分类
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-22 DOI: 10.1002/cpe.70620
Parag Bhuyan, Sujit Kumar Das, Pranav Kumar Singh

Approximately fifty percent of the world's population depend on rice as a primary food source. This situation illustrates the importance of consistent and sustainable rice cultivation for food security. A significant issue in rice cultivation is the prevalence of leaf diseases, which can substantially impact plant growth and yield. Rapid and precise identification of these diseases is crucial to mitigate crop losses and reduce excessive pesticide application. Historically, disease identification through manual inspection was based on expert visual evaluation, which is challenging, subjective, and difficult to implement on a broad scale in agricultural environments. This work proposes an advanced deep learning model named ResNet-50+SaE-PE, a modified edition of the ResNet-50 architecture, to address this issue. This model uses positional encoding (PE) to improve its ability to give more attention to spatial information and adds squeeze-aggregatio-excitation (SaE) modules to better focus on important features. These enhancements facilitate the identification and classification of disease-affected regions in rice leaves. The proposed model has been tested on a publicly available standard Rice Leaf Disease dataset consisting of 4624 images. We partitioned the dataset into 80:20 ratios for training and testing, respectively. The performance of the model has been evaluated using accuracy, recall, specificity, precision, and F1-score. The modified version of ResNet-50+SaE-PE shows that it is better at being accurate, precise, and reliable compared to older models. After experimenting with several optimizers, Stochastic Gradient Descent (SGD) with a learning rate of 0.001 emerged as the most reliable option. The average accuracy of 99.89% indicates that the model is effective for use in intelligent and scalable systems to monitor agricultural diseases.

世界上大约50%的人口以大米为主要食物来源。这种情况说明了一贯和可持续的水稻种植对粮食安全的重要性。水稻栽培中的一个重要问题是叶片病害的流行,它可以严重影响植物的生长和产量。快速和精确地识别这些病害对于减轻作物损失和减少过度施用农药至关重要。历史上,通过人工检查进行疾病鉴定是基于专家的视觉评价,这具有挑战性、主观性,并且难以在农业环境中大规模实施。本文提出了一种名为ResNet-50+SaE-PE的高级深度学习模型,该模型是ResNet-50架构的修改版本,以解决此问题。该模型使用位置编码(PE)来提高其对空间信息的关注能力,并增加挤压聚合激发(SaE)模块来更好地关注重要特征。这些改进有助于水稻叶片中受病害影响区域的识别和分类。该模型已经在一个由4624张图像组成的公开可用的标准水稻叶病数据集上进行了测试。我们将数据集分成80:20的比例,分别用于训练和测试。模型的性能通过准确性、召回率、特异性、精确度和f1评分进行评估。修改后的ResNet-50+SaE-PE显示,与旧型号相比,它在准确性,精确性和可靠性方面更胜一筹。在试验了几个优化器之后,学习率为0.001的随机梯度下降(SGD)成为最可靠的选择。平均准确率达到99.89%,表明该模型可以有效地用于智能和可扩展的农业病害监测系统。
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引用次数: 0
An Efficient Feature Selection Based Novel Deep Learning Models for Multi-Modal Sentimental Analysis in Social Media Platform 基于特征选择的社交媒体平台多模态情感分析深度学习模型
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-22 DOI: 10.1002/cpe.70568
Nasheet Tarik, Ashish Jadhav

Emotion recognition through multi-modal techniques uses multiple formats of input data in a significant area of research. However, existing studies face challenges related to the extraction of high-level emotional features and increased model complexity. Thus, this paper introduces Multi-modal data. Initially, text, video, and audio data are collected from BAUM 1 and Enterface05 datasets to classify emotions. Audio files undergo preprocessing with the Pass Gaussian Filter (PGF), while video clips are transformed into key frames using Spherical Interpolation based Q-learning (SIQ). The text data are preprocessed through tokenization and stemming. The features are extracted using a casual neural network for audio data, geometric feature calculations (GFC) for video data, and an improved term frequency-inverse document frequency (ITF-IDF) model for text data. The features are selected by the enhanced genetic gray lag goose optimization (EGG-LGO) method for audio data, the parrot optimization algorithm (POA) for video data, and the Adapted Firefly Optimization Algorithm (AFOA) for text data. The densely connected recurrent network with dual attention (D-RNA) model classifies emotions from audio data. Text emotions are classified using the self-attention based capsule-bi-directional long short term memory (SA-CBiLSTM) model, and emotions from visual data are classified using the gated attention enclosed residual context aware transformer (GRCAT). Finally, text, visual, and audio modality outputs are fused by a decision-level strategy to obtain the final output. The BAUM-1 dataset achieves accuracies of 99% for video, 99.3% for audio, and 98.4% for text data. The Enterface05 attains 98.18% accuracy for video, 98.75% for audio, and 97.7% for text.

在一个重要的研究领域中,通过多模态技术进行情感识别使用了多种格式的输入数据。然而,现有的研究面临着高层次情感特征提取和模型复杂性增加的挑战。因此,本文引入了多模态数据。最初,从BAUM 1和Enterface05数据集中收集文本、视频和音频数据来对情绪进行分类。音频文件使用Pass高斯滤波器(PGF)进行预处理,而视频片段使用基于球面插值的Q-learning (SIQ)转换为关键帧。文本数据通过标记和词干预处理。对音频数据使用随机神经网络提取特征,对视频数据使用几何特征计算(GFC),对文本数据使用改进的词频率-逆文档频率(ITF-IDF)模型提取特征。音频数据采用增强型遗传灰雁优化算法(EGG-LGO),视频数据采用鹦鹉优化算法(POA),文本数据采用自适应萤火虫优化算法(AFOA)。基于双重注意的密集连接循环网络(D-RNA)模型对音频数据中的情绪进行分类。文本情感分类采用基于自注意的胶囊-双向长短期记忆(SA-CBiLSTM)模型,视觉数据情感分类采用门状注意封闭残差上下文感知转换器(GRCAT)模型。最后,通过决策级策略融合文本、视觉和音频模态输出以获得最终输出。BAUM-1数据集对视频数据的准确率为99%,对音频数据的准确率为99.3%,对文本数据的准确率为98.4%。Enterface05对视频的准确率为98.18%,对音频的准确率为98.75%,对文本的准确率为97.7%。
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引用次数: 0
MH-XAI: Hybrid Deep Learning and XGBoost Explainable AI Model for Mental Health Prediction MH-XAI:用于心理健康预测的混合深度学习和XGBoost可解释人工智能模型
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-22 DOI: 10.1002/cpe.70634
Priyanka, Sushama Nagpal, Sangeeta Sabharwal

Integrating deep learning with interpretable machine learning methods offers significant benefits for predicting mental health risks. This research introduces a hybrid architecture MH-XAI, aimed at precisely predicting mental health while providing transparent, feature-level explanations. MH-XAI integrates a multi-scale 1D Convolutional Neural Network (CNN), channel-wise attention mechanisms, an ensemble of (XGBoost) classifiers, and SHAP (SHapley Additive exPlanations) to achieve both local and global interpretability. The model is trained on a comprehensive dataset derived from Open Sourcing Mental Illness (OSMI) Mental Health in Tech surveys conducted between 2016 and 2023. This dataset encompasses a variety of demographic, psychological, and occupational characteristics. The input features are restructured into a format that facilitates deep convolutional learning. The CNN feature extractor utilizes parallel convolutional layers with three different kernel sizes, allowing the model to capture both short-range and long-range dependencies in tabular data. The multi-scale representations are subsequently enhanced using a channel-wise attention process. The acquired features are transmitted to an ensemble of XGBoost classifiers for enhanced prediction accuracy. MH-XAI attains a test accuracy of 91.54%, F1-score of 92%, precision of 92%, and recall of 91%, surpassing standalone CNN and XGBoost. SHAP elucidates the model's predictions by quantifying the contributions of each feature. Results underscore critical factors such as past mental health history, workplace culture, current mental health, and family history that affect outcomes. MH-XAI provides a precise, scalable, and comprehensible solution for the early detection of mental health in workplace environments.

将深度学习与可解释的机器学习方法相结合,为预测心理健康风险提供了显著的好处。本研究引入了一种混合架构MH-XAI,旨在精确预测心理健康,同时提供透明的功能级解释。MH-XAI集成了多尺度一维卷积神经网络(CNN)、通道智能注意机制、(XGBoost)分类器和SHAP (SHapley Additive explanation)的集合,以实现局部和全局可解释性。该模型是在一个综合数据集上进行训练的,该数据集来自2016年至2023年间进行的开源精神疾病(OSMI)技术心理健康调查。该数据集包含各种人口统计、心理和职业特征。输入特征被重构成一种便于深度卷积学习的格式。CNN特征提取器利用具有三种不同核大小的并行卷积层,允许模型捕获表格数据中的短期和长期依赖关系。多尺度表征随后通过通道型注意过程得到增强。获得的特征被传输到XGBoost分类器的集合中,以提高预测精度。MH-XAI的测试准确率为91.54%,f1分数为92%,精密度为92%,召回率为91%,超过了独立的CNN和XGBoost。SHAP通过量化每个特征的贡献来阐明模型的预测。结果强调了影响结果的关键因素,如过去的心理健康史、工作场所文化、当前的心理健康状况和家族史。MH-XAI为工作场所环境中心理健康的早期检测提供了精确、可扩展和可理解的解决方案。
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引用次数: 0
Zero-Knowledge Proof Enabled Blockchain Smart Contracts for Efficient Health Insurance System 支持零知识证明的区块链智能合约,用于高效的健康保险系统
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-20 DOI: 10.1002/cpe.70607
Adla Sanober, Shamama Anwar

The digitization of healthcare insurance claims faces persistent challenges including data breaches, fraudulent submissions, and inefficiencies in verification and settlement. This paper presents a Zero-Knowledge Succinct Non-Interactive Argument of Knowledge (Zk-SNARK) enabled blockchain framework deployed on the Polygon Proof of Stake (PoS) network for secure and privacy-preserving health insurance processing. The proposed architecture integrates Attribute-Based Encryption (ABE) for data confidentiality and the Elliptic Curve Digital Signature Algorithm (ECDSA) for authentication, ensuring end-to-end data integrity and access control. Experimental evaluation on the Polygon PoS testbed demonstrates a transaction cost of approximately $0.002, which is over 99% lower than Ethereum's 3–10 $ per transaction, while maintaining 100% resistance to data tampering, replay attacks, and transaction manipulation. Under the Polygon real network, the proposed framework supports a network-level transaction capacity of up to 7000 transactions per second (TPS) under nominal operating conditions, with an approximately 9.3% reduction in effective capacity under stress scenarios, while maintaining 100% verification accuracy for all Zk-SNARK proofs. The average on-chain verification and settlement latency was measured at 4.7 s, confirming the system's suitability for real-time healthcare claim settlement. These results validate that the proposed Zk-SNARK enabled Polygon PoS framework offers a scalable, cost-efficient, and cryptographically robust solution for healthcare insurance automation, outperforming existing blockchain implementations across security, efficiency, and economic performance metrics.

医疗保险索赔的数字化面临着持续的挑战,包括数据泄露、欺诈性提交以及验证和结算效率低下。本文提出了一个部署在多边形权益证明(PoS)网络上的支持零知识简洁非交互式知识论证(Zk-SNARK)的区块链框架,用于安全和隐私保护的健康保险处理。该体系结构集成了基于属性的加密(ABE)和椭圆曲线数字签名算法(ECDSA),实现了数据的机密性和身份验证,确保了端到端的数据完整性和访问控制。Polygon PoS测试平台的实验评估表明,交易成本约为0.002美元,比以太坊的每笔交易3-10美元低99%以上,同时保持100%的数据篡改,重放攻击和交易操纵的抵抗力。在Polygon真实网络下,提议的框架在名义操作条件下支持高达每秒7000笔交易(TPS)的网络级交易容量,在压力场景下有效容量减少约9.3%,同时保持所有Zk-SNARK证明的100%验证准确性。链上验证和结算的平均延迟时间为4.7秒,证实了该系统适合实时医疗保健索赔结算。这些结果验证了提议的支持Zk-SNARK的Polygon PoS框架为医疗保险自动化提供了可扩展、经济高效和加密健壮的解决方案,在安全性、效率和经济性能指标方面优于现有的区块链实现。
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引用次数: 0
GPU-Accelerated One-Electron Integral Computation for Quantum Chemistry 量子化学的gpu加速单电子积分计算
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-20 DOI: 10.1002/cpe.70628
Nobuya Yokogawa, Yasuaki Ito, Satoki Tsuji, Haruto Fujii, Kanta Suzuki, Koji Nakano, Victor Parque, Akihiko Kasagi

In Quantum chemical computation, numerical schemes such as the Hartree–Fock (HF) and density functional theory (DFT) are widely used to solve the Schrödinger equation numerically, to realize experiment-free prediction and analysis of key molecular properties such as structure and energy. Computing one-electron integrals, such as kinetic energy integrals and nuclear attraction integrals, is essential in both HF and DFT to characterize the molecular electronic states. However, as molecules of practical interest grow in size and angular momentum, computing one-electron orbitals becomes computationally expensive in most cases. Although computing kinetic energy integrals on CPUs is straightforward, bottlenecks in CPU-GPU data transfer have often been overlooked. In this study, we propose an efficient method to compute both the kinetic-energy and nuclear-attractive integrals on GPUs. First, we explicitly and symbolically expand recurrence relations based on the Obara–Saika and McMurchie–Davidson methods to eliminate redundant operations, thus improving computational efficiency. Second, we implemented a hybrid method that selects the best/fastest of both methods depending on the integration task. Third, we achieved further speedups by using CUDA streams to parallelize the execution of multiple kernels and efficiently utilize multiprocessor resources on the GPU. Computational experiments using NVIDIA A100 GPUs and Intel Xeon Gold 6338 CPU on relevant molecules of interest demonstrated the superiority of our one-electron integral GPU implementations, achieving a speedup of 20.2 times over PySCF, and a speedup of 132.6 times over GPU4PySCF.

在量子化学计算中,广泛采用Hartree-Fock (HF)和密度泛函理论(DFT)等数值格式对Schrödinger方程进行数值求解,实现分子结构和能量等关键性质的无实验预测和分析。计算单电子积分,如动能积分和核吸引积分,在HF和DFT中都是表征分子电子态的必要条件。然而,随着实际分子的大小和角动量的增长,计算单电子轨道在大多数情况下变得计算昂贵。虽然在cpu上计算动能积分很简单,但CPU-GPU数据传输的瓶颈常常被忽视。在这项研究中,我们提出了一种在gpu上计算动能和核吸引积分的有效方法。首先,基于Obara-Saika和mcmurchi - davidson方法,明确地、象征性地展开递归关系,消除冗余运算,提高计算效率。其次,我们实现了一种混合方法,根据集成任务选择两种方法中最好/最快的方法。第三,我们通过使用CUDA流来并行执行多个内核,并有效利用GPU上的多处理器资源,从而实现了进一步的加速。使用NVIDIA A100 GPU和Intel Xeon Gold 6338 CPU对相关感兴趣的分子进行计算实验,证明了我们的单电子集成GPU实现的优越性,实现了比PySCF加快20.2倍,比GPU4PySCF加快132.6倍。
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引用次数: 0
Local Differential Privacy Preservation for Distributed Data With an Improved Distance-Based Clustering Method 基于改进距离聚类的分布式数据局部差分隐私保护
IF 1.5 4区 计算机科学 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-19 DOI: 10.1002/cpe.70612
Jaganmohan Reddy Kancharla, S. D. Madhu Kumar

The methods and procedures used to prevent the disclosure of private or sensitive information during data collection, processing, dissemination, or analysis are referred to as privacy preservation. K-prototypes have become a widely adopted clustering technique for mixed-type data in large-scale data mining tasks due to their efficiency and simplicity. However, as sensitive user information is frequently included in the underlying data, this approach presents privacy issues. Conventional privacy-preserving clustering techniques usually rely on a reliable third party to perform data preprocessing; however, it is frequently impractical to place total trust in such organizations. By implementing local differential privacy measures directly on user data, this study presents a revolutionary Two-tier Perturbation-based Local Differential Privacy Preservation K-prototyping (TP-LDPK) architecture that does away with the need for a trusted third party. Both numerical and categorical data are preprocessed using the Optimized Unary Encoding (OUE) algorithm and the Enhanced Min-Max Normalization (EMN) technique, respectively. The Improved chaotic map and the Obfuscation approach are used to disturb the normalized numerical data and encoded categorical data, respectively, in the first-tier perturbation. The Generalized Random Response (GRR) algorithm is used in the second tier to determine the new centroid set based on the information about the disturbed cluster. This technique protects sensitive data at every stage while enabling clustering through direct contact between the user and the server. Our approach produces high-quality clustering results under stringent local privacy restrictions, as demonstrated by both theoretical and empirical assessments that support its practical effectiveness and privacy guarantees. The TP-LDPK method yielded the lowest recall rate (0.494), accuracy rate (0.291), and F-measure (0.387).

在数据收集、处理、传播或分析过程中用于防止私人或敏感信息泄露的方法和程序称为隐私保护。k -原型由于其高效和简单的特点,已成为大规模数据挖掘任务中广泛采用的混合类型数据聚类技术。但是,由于敏感的用户信息经常包含在底层数据中,因此这种方法存在隐私问题。传统的隐私保护聚类技术通常依赖于可靠的第三方来执行数据预处理;然而,完全信任这样的组织往往是不切实际的。通过直接在用户数据上实施本地差异隐私措施,本研究提出了一种革命性的基于两层扰动的本地差异隐私保护k原型(TP-LDPK)架构,该架构消除了对可信第三方的需求。数值数据和分类数据分别采用优化一元编码(OUE)算法和增强最小-最大归一化(EMN)技术进行预处理。在第一层扰动中,分别采用改进混沌映射和模糊方法对归一化数值数据和编码分类数据进行扰动。第二层采用广义随机响应(GRR)算法,根据扰动聚类的信息确定新的质心集。该技术在每个阶段保护敏感数据,同时通过用户和服务器之间的直接接触实现集群。我们的方法在严格的局部隐私限制下产生高质量的聚类结果,正如理论和实证评估所证明的那样,支持其实际有效性和隐私保证。TP-LDPK方法的召回率最低(0.494),准确率最低(0.291),F-measure最低(0.387)。
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