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Metallic Softness Influence on Magic Numbers of Clusters
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作者 Liu Hao-yang Zou Xian-wu +1 位作者 Ren Da-zhi Jin Zhun-zhi 《Wuhan University Journal of Natural Sciences》 EI CAS 2000年第3期301-306,共6页
The metallic softness parameterαr 0 determines the structure of the cluster and governs the rule of magic numbers. Using molecular dynamic method, the stable structures and magic numbers are determined for the cluste... The metallic softness parameterαr 0 determines the structure of the cluster and governs the rule of magic numbers. Using molecular dynamic method, the stable structures and magic numbers are determined for the clusters consisting of 13 up to 147 atoms in medium range Morse potentials, which is suitable for most of metals. As the number of atoms constituting the cluster increases, the stable structures undergo transition from face-centered (FC) to edge-centered (EC) structures. The magic number take ones of FC series before transition and take ones of EC series after that. The transition point from FC to EC structures depends on the value of softness parameter. 展开更多
关键词 cluster magic number SOFTNESS
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Different Criteria for the Optimal Number of Clusters and Selection of Variables with R
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作者 Alessandro Attanasio Maurizio Maravalle Alessio Scalzini 《Journal of Mathematics and System Science》 2013年第9期469-476,共8页
One of the most important problems of clustering is to define the number of classes. In fact, it is not easy to find an appropriate method to measure whether the cluster configuration is acceptable or not. In this pap... One of the most important problems of clustering is to define the number of classes. In fact, it is not easy to find an appropriate method to measure whether the cluster configuration is acceptable or not. In this paper we propose a possible and non-automatic solution considering different criteria of clustering and comparing their results. In this way robust structures of an analyzed dataset can be often caught (or established) and an optimal cluster configuration, which presents a meaningful association, may be defined. In particular, we also focus on the variables which may be used in cluster analysis. In fact, variables which contain little clustering information can cause misleading and not-robustness results. Therefore, three algorithms are employed in this study: K-means partitioning methods, Partitioning Around Medoids (PAM) and the Heuristic Identification of Noisy Variables (HINoV). The results are compared with robust methods ones. 展开更多
关键词 clusterING K-MEANS PAM number of clusters.
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基于HS-Clustering的风电场机组分组功率预测 被引量:4
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作者 高小力 张智博 +1 位作者 田启明 刘永前 《现代电力》 北大核心 2017年第3期12-18,共7页
为了寻求风电场功率预测精度和计算效率二者的平衡,提出了一种基于霍普金斯统计量与聚类算法(HSClustering)的风电场机组分组功率预测方法,该方法将霍普金斯统计量与聚类算法的优势有效结合,采用霍普金斯统计量确定场内机组分组个数,通... 为了寻求风电场功率预测精度和计算效率二者的平衡,提出了一种基于霍普金斯统计量与聚类算法(HSClustering)的风电场机组分组功率预测方法,该方法将霍普金斯统计量与聚类算法的优势有效结合,采用霍普金斯统计量确定场内机组分组个数,通过聚类算法识别不同机组的相似性将风电场分成不同的机组群,然后对每组机群分别建立功率预测模型,从而叠加得到整场输出功率;另外以实测风速、实测功率及二者组合作为机组分组模型输入,分析其对预测精度的影响程度。实例分析表明基于HSClustering的分组预测方法可以显著提高预测精度,同时保证较高的计算效率;风速是影响分组效果的主要因素,对于某些分组模型,功率又可以作为风速的重要补充。 展开更多
关键词 机组分组个数 功率预测 霍普金斯统计量 聚类算法
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A Study on Numerical Calculation Method of Small Cluster Density in Percolation Model
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作者 Xucheng Wang Junhui Gao 《Journal of Applied Mathematics and Physics》 2016年第8期1507-1512,共6页
Percolation theory deals with the numbers and properties of the clusters formed in the different occupation probability. In this Paper, we study the calculation method of small clusters. We calcu-lated the small clust... Percolation theory deals with the numbers and properties of the clusters formed in the different occupation probability. In this Paper, we study the calculation method of small clusters. We calcu-lated the small cluster density of 1, 2 and 3 in the percolation model with the exact method and the numerical method. The results of the two methods are very close, which can be verified by each other. We find that the cluster density of all three kinds of small clusters reaches the highest value when the occupation probability is between 0.1 and 0.2. It is very difficult to get the analytical formula for the exact method when the cluster area is relatively large (such as the area is more than 50), so we can get the density value of the cluster by numerical method. We find that the time required calculating the cluster density is proportional to the percolation area, which is indepen-dent of the cluster size and the occupation probability. 展开更多
关键词 Percolation Model cluster number Density Numerical Method
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2000年以来二氧化碳地质封存研究动态与趋势
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作者 邴瑶耀 曹珂 +4 位作者 万义钊 王建强 辛梅 张治晟 刘金庆 《中国地质调查》 2026年第1期81-91,共11页
碳捕集、利用与封存(carbon capture, utilization and storage, CCUS)是实现碳中和的兜底技术,已引起国际学界广泛关注。基于2000—2024年CNKI与WOS数据库的1 519篇文献,通过文献计量与关键词聚类分析,系统梳理了该领域的研究动态与趋... 碳捕集、利用与封存(carbon capture, utilization and storage, CCUS)是实现碳中和的兜底技术,已引起国际学界广泛关注。基于2000—2024年CNKI与WOS数据库的1 519篇文献,通过文献计量与关键词聚类分析,系统梳理了该领域的研究动态与趋势。研究显示:全球发文量年均增长12%,中国自2006年起步后,于2023年达峰值(557篇),重点聚焦“咸水层”“数值模拟”“碳中和”与“封存潜力”,而国际研究更倾向“封存”“注入”“容量”等工程实践。关键技术进展体现在4个方面:(1)静态体积法和容量计算方法普遍用于量化储量,全球封存潜力评估框架初步形成;(2)建立了完整的储层评级系统,深部咸水层成为主流封存靶体,其他新型储层不断被发掘;(3)数值模拟多场耦合技术显著提升,大大提高了储层评估和潜力评估的可靠性,当前已有MIN3P、TOUGH等多种数值模拟器被开发并应用于实践;(4)环境风险评估机制逐步完善,通过四维地震监测与无人机遥感可实现泄漏预警。但二氧化碳地质封存仍面临储层参数不确定性导致封存效率波动、长期监测技术不成熟引发泄漏风险、环境监测成本高等挑战,有待进一步开发。研究对二氧化碳地质封存领域发展方向具有指导意义,可为今后二氧化碳地质封存研究重点提供参考。 展开更多
关键词 CO_(2)地质封存 研究态势 发文量 聚类分析 潜力评价
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The Effective Clustering Partition Algorithm Based on the Genetic Evolution 被引量:1
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作者 廖芹 李希雯 《Journal of Donghua University(English Edition)》 EI CAS 2006年第6期43-46,共4页
To the problem that it is hard to determine the clustering number and the abnormal points by using the clustering validity function, an effective clustering partition model based on the genetic algorithm is built in t... To the problem that it is hard to determine the clustering number and the abnormal points by using the clustering validity function, an effective clustering partition model based on the genetic algorithm is built in this paper. The solution to the problem is formed by the combination of the clustering partition and the encoding samples, and the fitness function is defined by the distances among and within clusters. The clustering number and the samples in each cluster are determined and the abnormal points are distinguished by implementing the triple random crossover operator and the mutation. Based on the known sample data, the results of the novel method and the clustering validity function are compared. Numerical experiments are given and the results show that the novel method is more effective. 展开更多
关键词 clustering validity genetic algorithm clustering number abnormal point.
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A numerical model for cloud cavitation based on bubble cluster 被引量:1
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作者 Tezhuan Du Yiwei Wang +1 位作者 Chenguang Huang Lijuan Liao 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2017年第4期231-234,共4页
The cavitation cloud of different internal structures results in different collapse pressures owing to the interaction among bubbles. The internal structure of cloud cavitation is required to accurately predict collap... The cavitation cloud of different internal structures results in different collapse pressures owing to the interaction among bubbles. The internal structure of cloud cavitation is required to accurately predict collapse pressure. A cavitation model was developed through dimensional analysis and direct numerical simulation of collapse of bubble cluster. Bubble number density was included in proposed model to characterize the internal structure of bubble cloud. Implemented on flows over a projectile, the proposed model predicts a higher collapse pressure compared with Singhal model. Results indicate that the collapse pressure of detached cavitation cloud is affected by bubble number density. 展开更多
关键词 Cavitation model Bubble number density Bubble cluster Collapse
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Particle swarm optimization computer simulation of Ni clusters 被引量:2
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作者 周继承 李文娟 朱金波 《中国有色金属学会会刊:英文版》 EI CSCD 2008年第2期410-415,共6页
The stable structures and energies of Ni clusters were investigated using particle swarm optimization(PSO)combined with simulated annealing(SA).Sutton-Chen many-body potential was used in describing the interatomic in... The stable structures and energies of Ni clusters were investigated using particle swarm optimization(PSO)combined with simulated annealing(SA).Sutton-Chen many-body potential was used in describing the interatomic interactions.The simulation results indicate that the structures of Ni clusters are icosahedral-like and binding energy per atom tends to approach that of bulk materials when the atoms number increases.The stability of Ni clusters depends not only on size but also on symmetrical characterization.The structure stability of Nin clusters increases with the increase of total atom number n.It is also found that there exists direct correlation between stability and geometrical structures of the clusters,and relatively higher symmetry clusters are more stable.From the results of the second difference in the binding energy,the clusters at n=3 is more stable than others,and the magic numbers effect is also found. 展开更多
关键词 最优化计算 计算机模拟技术 合金 计算方法
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A heuristic clustering algorithm based on high density-connected partitions
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作者 Yuan Lufeng Yao Erlin Tan Guangming 《High Technology Letters》 EI CAS 2018年第2期149-155,共7页
Clustering data with varying densities and complicated structures is important,while many existing clustering algorithms face difficulties for this problem. The reason is that varying densities and complicated structu... Clustering data with varying densities and complicated structures is important,while many existing clustering algorithms face difficulties for this problem. The reason is that varying densities and complicated structure make single algorithms perform badly for different parts of data. More intensive parts are assumed to have more information probably,an algorithm clustering from high density part is proposed,which begins from a tiny distance to find the highest density-connected partition and form corresponding super cores,then distance is iteratively increased by a global heuristic method to cluster parts with different densities. Mean of silhouette coefficient indicates the cluster performance. Denoising function is implemented to eliminate influence of noise and outliers. Many challenging experiments indicate that the algorithm has good performance on data with widely varying densities and extremely complex structures. It decides the optimal number of clusters automatically.Background knowledge is not needed and parameters tuning is easy. It is robust against noise and outliers. 展开更多
关键词 heuristic clustering density-based spatial clustering of applications with noise( DBSCAN) density-based clustering agglomerative clustering machine learning high density-connected partitions optimal clustering number
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Performances of Clustering Methods Considering Data Transformation and Sample Size: An Evaluation with Fisheries Survey Data
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作者 WO Jia ZHANG Chongliang +2 位作者 XU Binduo XUE Ying REN Yiping 《Journal of Ocean University of China》 SCIE CAS CSCD 2020年第3期659-668,共10页
Clustering is a group of unsupervised statistical techniques commonly used in many disciplines. Considering their applications to fish abundance data, many technical details need to be considered to ensure reasonable ... Clustering is a group of unsupervised statistical techniques commonly used in many disciplines. Considering their applications to fish abundance data, many technical details need to be considered to ensure reasonable interpretation. However, the reliability and stability of the clustering methods have rarely been studied in the contexts of fisheries. This study presents an intensive evaluation of three common clustering methods, including hierarchical clustering(HC), K-means(KM), and expectation-maximization(EM) methods, based on fish community surveys in the coastal waters of Shandong, China. We evaluated the performances of these three methods considering different numbers of clusters, data size, and data transformation approaches, focusing on the consistency validation using the index of average proportion of non-overlap(APN). The results indicate that the three methods tend to be inconsistent in the optimal number of clusters. EM showed relatively better performances to avoid unbalanced classification, whereas HC and KM provided more stable clustering results. Data transformation including scaling, square-root, and log-transformation had substantial influences on the clustering results, especially for KM. Moreover, transformation also influenced clustering stability, wherein scaling tended to provide a stable solution at the same number of clusters. The APN values indicated improved stability with increasing data size, and the effect leveled off over 70 samples in general and most quickly in EM. We conclude that the best clustering method can be chosen depending on the aim of the study and the number of clusters. In general, KM is relatively robust in our tests. We also provide recommendations for future application of clustering analyses. This study is helpful to ensure the credibility of the application and interpretation of clustering methods. 展开更多
关键词 hierarchical cluster K-means cluster expectation-maximization cluster optimal number of clusters stability data transformation
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Automatic Data Clustering Based Mean Best Artificial Bee Colony Algorithm
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作者 Ayat Alrosan Waleed Alomoush +4 位作者 Mohammed Alswaitti Khalid Alissa Shahnorbanun Sahran Sharif Naser Makhadmeh Kamal Alieyan 《Computers, Materials & Continua》 SCIE EI 2021年第8期1575-1593,共19页
Fuzzy C-means(FCM)is a clustering method that falls under unsupervised machine learning.The main issues plaguing this clustering algorithm are the number of the unknown clusters within a particular dataset and initial... Fuzzy C-means(FCM)is a clustering method that falls under unsupervised machine learning.The main issues plaguing this clustering algorithm are the number of the unknown clusters within a particular dataset and initialization sensitivity of cluster centres.Artificial Bee Colony(ABC)is a type of swarm algorithm that strives to improve the members’solution quality as an iterative process with the utilization of particular kinds of randomness.However,ABC has some weaknesses,such as balancing exploration and exploitation.To improve the exploration process within the ABC algorithm,the mean artificial bee colony(MeanABC)by its modified search equation that depends on solutions of mean previous and global best is used.Furthermore,to solve the main issues of FCM,Automatic clustering algorithm was proposed based on the mean artificial bee colony called(AC-MeanABC).It uses the MeanABC capability of balancing between exploration and exploitation and its capacity to explore the positive and negative directions in search space to find the best value of clusters number and centroids value.A few benchmark datasets and a set of natural images were used to evaluate the effectiveness of AC-MeanABC.The experimental findings are encouraging and indicate considerable improvements compared to other state-of-the-art approaches in the same domain. 展开更多
关键词 Artificial bee colony automatic clustering natural images validity index number of clusters
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Application of a New Fuzzy Clustering Algorithm in Intrusion Detection
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作者 WU Tiefeng 《现代电子技术》 2008年第4期100-102,共3页
This paper presents a new Section Set Adaptive FCM algorithm.The algorithm solved the shortcomings of local optimality,unsure classification and clustering numbers ascertained previously.And it improved on the archite... This paper presents a new Section Set Adaptive FCM algorithm.The algorithm solved the shortcomings of local optimality,unsure classification and clustering numbers ascertained previously.And it improved on the architecture of FCM al- gorithm,enhanced the analysis for effective clustering.During the clustering processing,it may adjust clustering numbers dy- namically.Finally,it used the method of section set decreasing the time of classification.By experiments,the algorithm can im- prove dependability of clustering and correctness of classification. 展开更多
关键词 模糊聚类算法 干扰检测 计算机技术 FCM
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Clustering based segmentation of text in complex color images
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作者 毛文革 王洪滨 张田文 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2004年第4期387-394,共8页
We propose a novel scheme based on clustering analysis in color space to solve text segmentation in complex color images. Text segmentation includes automatic clustering of color space and foreground image generation.... We propose a novel scheme based on clustering analysis in color space to solve text segmentation in complex color images. Text segmentation includes automatic clustering of color space and foreground image generation. Two methods are also proposed for automatic clustering: The first one is to determine the optimal number of clusters and the second one is the fuzzy competitively clustering method based on competitively learning techniques. Essential foreground images obtained from any of the color clusters are combined into foreground images. Further performance analysis reveals the advantages of the proposed methods. 展开更多
关键词 Text segmentation Fuzzy competitively clustering Optimal number of clusters Foreground images
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Knowledge-Driven Possibilistic Clustering with Automatic Cluster Elimination
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作者 Xianghui Hu Yiming Tang +2 位作者 Witold Pedrycz Jiuchuan Jiang Yichuan Jiang 《Computers, Materials & Continua》 SCIE EI 2024年第9期4917-4945,共29页
Traditional Fuzzy C-Means(FCM)and Possibilistic C-Means(PCM)clustering algorithms are data-driven,and their objective function minimization process is based on the available numeric data.Recently,knowledge hints have ... Traditional Fuzzy C-Means(FCM)and Possibilistic C-Means(PCM)clustering algorithms are data-driven,and their objective function minimization process is based on the available numeric data.Recently,knowledge hints have been introduced to formknowledge-driven clustering algorithms,which reveal a data structure that considers not only the relationships between data but also the compatibility with knowledge hints.However,these algorithms cannot produce the optimal number of clusters by the clustering algorithm itself;they require the assistance of evaluation indices.Moreover,knowledge hints are usually used as part of the data structure(directly replacing some clustering centers),which severely limits the flexibility of the algorithm and can lead to knowledgemisguidance.To solve this problem,this study designs a newknowledge-driven clustering algorithmcalled the PCM clusteringwith High-density Points(HP-PCM),in which domain knowledge is represented in the form of so-called high-density points.First,a newdatadensitycalculation function is proposed.The Density Knowledge Points Extraction(DKPE)method is established to filter out high-density points from the dataset to form knowledge hints.Then,these hints are incorporated into the PCM objective function so that the clustering algorithm is guided by high-density points to discover the natural data structure.Finally,the initial number of clusters is set to be greater than the true one based on the number of knowledge hints.Then,the HP-PCM algorithm automatically determines the final number of clusters during the clustering process by considering the cluster elimination mechanism.Through experimental studies,including some comparative analyses,the results highlight the effectiveness of the proposed algorithm,such as the increased success rate in clustering,the ability to determine the optimal cluster number,and the faster convergence speed. 展开更多
关键词 Fuzzy C-Means(FCM) possibilistic clustering optimal number of clusters knowledge-driven machine learning fuzzy logic
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基于k-means算法的聚类个数确定方法改进 被引量:8
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作者 王丙参 王国长 魏艳华 《统计与决策》 北大核心 2025年第7期59-64,共6页
文章基于k-means算法探讨了最优聚类个数k*的确定方法:第一类是统计量方法;第二类是聚类算法不稳定性方法,即基于两次聚类结果间的距离,利用交叉验证、随机抽样取交集、自助法来构建聚类算法估计不稳定性指标,并根据投票、最小化均值方... 文章基于k-means算法探讨了最优聚类个数k*的确定方法:第一类是统计量方法;第二类是聚类算法不稳定性方法,即基于两次聚类结果间的距离,利用交叉验证、随机抽样取交集、自助法来构建聚类算法估计不稳定性指标,并根据投票、最小化均值方法确定k^(*)。数值模拟结果显示:在给定k^(*)的情况下,聚类结果与标签的距离或相似度可作为评价聚类结果的指标,为聚类算法评价提供了新的借鉴;基于k-means算法确定k^(*)的前提是数据集根据欧氏距离可明显分为几簇,相对而言,聚类算法不稳定性方法优于统计量方法;对于不稳定性指标,交叉验证估计方法与随机抽样取交集估计方法对抽样个数稳健,抽样个数依次建议略少于样本容量的1/3、80%;自助抽样估计方法由于利用了全部样本,因此效率更高;4种不稳定性指标没有显著差异,投票与最小化均值方法也没有显著差异。 展开更多
关键词 K-MEANS算法 聚类个数 统计量 不稳定性
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PC Cluster系统无法运行JSS作业的原因分析及解决方法
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作者 宋柏芬 《物探装备》 2006年第2期128-130,共3页
本文在简要介绍PC Cluster系统组成的基础上,着重分析了系统不能运行JSS作业的原因——inode被占满了而引起的,并介绍了通过删除mailman软件包排除故障的方法。
关键词 PC cluster并行计算机 inode数 磁盘空间
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Proposal of PAPR Reduction Method for OFDM Signal by Re-Ordering of Clusters in Frequency Domain
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作者 Tanairat Mata Katsuhiro Naito +2 位作者 Pisit Boonsrimuang Kazuo Mori Hideo Kobayashi 《International Journal of Communications, Network and System Sciences》 2013年第9期388-394,共7页
One of the limitations of using OFDM technique is its higher PAPR in the time domain signal. The higher PAPR OFDM signal would cause the fatal degradation of BER performance and undesirable spectrum regrowth in the no... One of the limitations of using OFDM technique is its higher PAPR in the time domain signal. The higher PAPR OFDM signal would cause the fatal degradation of BER performance and undesirable spectrum regrowth in the nonlinear channel. One of the promising PAPR reduction methods for OFDM signal is the Partial Transmit Sequence (PTS) method which can achieve better PAPR performance with reasonable computation complexity. However the PTS method is required to inform the phase coefficients of PTS as the side information to the receiver for the correct demodulation of data information through the data or separate channels. To simplify the transceiver of OFDM system with the PTS method, the phase coefficients of PTS are usually embedded in the data information. However since the phase coefficients of PTS are obtained after the PTS processing only for the data information at each OFDM symbol, it is hard to embed the phase coefficients of PTS in the data information separately without degradation of PAPR performance. To solve this problem, this paper proposes a new PAPR reduction method based on the packet-switched transmission systems in which all the clusters within the certain number of OFDM symbols have the sequential cluster ID numbers embedded in the header of each cluster. The salient features of the proposed method are to reduce the PAPR performance by re-ordering of clusters (ROC) in the frequency domain at the transmitter and to reconstruct the original ordering of clusters by using the cluster ID number demodulated from each cluster at the receiver. This paper also proposes a reduction technique of computation complexity for the proposed ROC method by using the feature of IFFT processing. This paper presents various computer simulation results to verify the effectiveness of the proposed ROC method with the reduction technique of computation complexity. 展开更多
关键词 OFDM PAPR Re-Ordering of clusterS cluster ID number Packet-Switched Transmission
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Multivariate Cluster and Principle Component Analyses of Selected Yield Traits in Uzbek Bread Wheat Cultivars 被引量:2
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作者 Shokista Sh. Adilova Dilafruz E. Qulmamatova +2 位作者 Saidmurad K. Baboev Tohir A. Bozorov Aleksey I. Morgunov 《American Journal of Plant Sciences》 2020年第6期903-912,共10页
Investigation of genetic diversity of geographically distant wheat genotypes is </span><span style="font-family:Verdana;">a </span><span style="font-family:Verdana;">useful ... Investigation of genetic diversity of geographically distant wheat genotypes is </span><span style="font-family:Verdana;">a </span><span style="font-family:Verdana;">useful approach in wheat breeding providing efficient crop varieties. This article presents multivariate cluster and principal component analyses (PCA) of some yield traits of wheat, such as thousand-kernel weight (TKW), grain number, grain yield and plant height. Based on the results, an evaluation of economically valuable attributes by eigenvalues made it possible to determine the components that significantly contribute to the yield of common wheat genotypes. Twenty-five genotypes were grouped into four clusters on the basis of average linkage. The PCA showed four principal components (PC) with eigenvalues ></span><span style="font-family:""> </span><span style="font-family:Verdana;">1, explaining approximately 90.8% of the total variability. According to PC analysis, the variance in the eigenvalues was </span><span style="font-family:Verdana;">the </span><span style="font-family:Verdana;">greatest (4.33) for PC-1, PC-2 (1.86) and PC-3 (1.01). The cluster analysis revealed the classification of 25 accessions into four diverse groups. Averages, standard deviations and variances for clusters based on morpho-physiological traits showed that the maximum average values for grain yield (742.2), biomass (1756.7), grains square meter (18</span><span style="font-family:Verdana;">,</span><span style="font-family:Verdana;">373.7), and grains per spike (45.3) were higher in cluster C compared to other clusters. Cluster D exhibited the maximum thousand-kernel weight (TKW) (46.6). 展开更多
关键词 Bread Wheat Principal Component Analysis Dispersion cluster Analysis Grain Yield Spike number Per Square Meter Drought Stress Thousand-Kernel Weight
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基于核函数的自适应谱聚类与聚类个数确定方法
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作者 王丙参 魏艳华 李旭 《统计与决策》 北大核心 2025年第11期49-54,共6页
文章先比较了不同核函数对谱聚类(SC)的影响,根据k近邻思想构建三种自适应SC,并根据拉普拉斯矩阵特征值构建聚类个数k^(*)的差分确定法;然后构建聚类-KNN算法,利用它的不稳定性确定k^(*)。数值模拟结果显示:核函数SC适应范围广,在合适... 文章先比较了不同核函数对谱聚类(SC)的影响,根据k近邻思想构建三种自适应SC,并根据拉普拉斯矩阵特征值构建聚类个数k^(*)的差分确定法;然后构建聚类-KNN算法,利用它的不稳定性确定k^(*)。数值模拟结果显示:核函数SC适应范围广,在合适的核函数下,对非凸数据集有效,且推荐使用高斯核;高斯核受全局参数影响显著,三类自适应SC对近邻参数稳健;基于聚类-KNN算法的不稳定性确定k^(*)比统计量方法适应范围更广,对于非凸数据集,基础聚类算法建议选取核函数谱聚类;随机抽样方法对抽样个数m稳健,当m占比较高时,它近似于自助抽样方法。 展开更多
关键词 核函数 谱聚类 聚类个数 不稳定性
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<i>Ab Initio</i>Molecular Orbital Calculation for Optical and Electronic Properties Evaluation of Small and Medium Size Silicon Nano-Clusters Found in Silicon Rich Oxide Films
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作者 Néstor David Espinosa Torres José Francisco Javier Flores Gracia +5 位作者 José Alberto Luna López Juan Carlos Ramírez García Alfredo Morales Sánchez José Luis Sosa Sánchez David Hernández de la Luz Francisco Morales Morales 《Journal of Modern Physics》 2013年第11期1-26,共26页
In systems in atomic and nano scales such as clusters or agglomerates constituted of particles from a few to less than one hundred of atoms, quantum confinement effects are very important. Their optical and electronic... In systems in atomic and nano scales such as clusters or agglomerates constituted of particles from a few to less than one hundred of atoms, quantum confinement effects are very important. Their optical and electronic properties are often dependent on the size of the systems and the way in which the atoms in these clusters are bonded. Generally, these nano-structures display optical and electronic properties significantly different of those found in corresponding bulk materials. Silicon agglomerates found in Silicon Rich Oxide (SRO) films have optical properties, which have reported as depended directly on nano-crystal size. Furthermore, the room temperature photoluminescence (PL) of Silicon Rich Oxides (SRO) has repeatedly generated a huge interest due to their possible applications in optoelectronic devices. However, a plausible emission mechanism has not yet widespread acceptance of the scientific community. In this research, we employed the Density Functional Theory with a functional B3LYP and a basis set 6 - 31G* to calculate the optical and electronic properties of small (six to ten silicon atoms) and medium size clusters of silicon (constituted of eleven to fourteen silicon atoms). With the theoretical calculation of the structural and optical properties of silicon clusters, it is possible to evaluate the contribution of silicon agglomerates in the luminescent emission mechanism experimentally found in thin SRO films. 展开更多
关键词 NANO-CRYSTALS SILICON clusters Silicon-Rich Oxide Luminescence Magic-number
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