第一性原理对M@B_(12)N_(12)(M=Sc-Zn)团簇结构和性质的研究

利用基于密度泛函理论的第一性原理对M@B_(12)N_(12)(M=Sc-Zn)团簇的几何、电子结构,电偶极性和红外吸收光谱进行详细的研究.结果显示:当B_(12)N_(12)团簇内嵌过渡金属原子后,虽然结构稳定性稍稍降低,但其化学活性得到提高,摩尔体积明显增大.过渡金属原子与B_(12)N_(12)结合的过程中,除Cu和B原子外,剩余金属与N原子的Mulliken电荷出现负值.另外,金属原子的加入,不仅增加电偶极矩和极化率的值,还促使其红外吸收光谱发生红移.

基于Blending-Clustering集成学习的大坝变形预测模型

【目的】变形是反映大坝结构性态最直观的效应量,构建科学合理的变形预测模型是保障大坝安全健康运行的重要手段。针对传统大坝变形预测模型预测精度低、误报率高等问题导致的错误报警现象,【方法】选取不同预测模型和聚类算法集成,构建了一种Blending-Clustering集成学习的大坝变形预测模型,该模型以Blending对单一预测模型集成提升预测精度为核心,并通过Clustering聚类优选预测值改善模型稳定性。以新疆某面板堆石坝变形监测数据为实例分析,通过多模型预测性能比较,对所提出模型的预测精度和稳定性进行全面评估。【结果】结果显示:Blending-Clustering模型将预测模型和聚类算法集成,均方根误差(RMSE)和归一化平均百分比误差(nMAPE)明显降低,模型的预测精度得到显著提高;回归相关系数(R~2)得到提升,模型具备更强的拟合能力;在面板堆石坝上22个测点变形数据集上的预测评价指标波动范围更小,模型的泛化性和稳定性得到有效增强。【结论】结果表明:Blending-Clustering集成预测模型对于预测精度、泛化性和稳定性均有明显提升,在实际工程具有一定的应用价值。

Unknown Application Layer Protocol Recognition Method Based on Deep Clustering

In recent years,many unknown protocols are constantly emerging,and they bring severe challenges to network security and network management.Existing unknown protocol recognition methods suffer from weak feature extraction ability,and they cannot mine the discriminating features of the protocol data thoroughly.To address the issue,we propose an unknown application layer protocol recognition method based on deep clustering.Deep clustering which consists of the deep neural network and the clustering algorithm can automatically extract the features of the input and cluster the data based on the extracted features.Compared with the traditional clustering methods,deep clustering boasts of higher clustering accuracy.The proposed method utilizes network-in-network(NIN),channel attention,spatial attention and Bidirectional Long Short-term memory(BLSTM)to construct an autoencoder to extract the spatial-temporal features of the protocol data,and utilizes the unsupervised clustering algorithm to recognize the unknown protocols based on the features.The method firstly extracts the application layer protocol data from the network traffic and transforms the data into one-dimensional matrix.Secondly,the autoencoder is pretrained,and the protocol data is compressed into low dimensional latent space by the autoencoder and the initial clustering is performed with K-Means.Finally,the clustering loss is calculated and the classification model is optimized according to the clustering loss.The classification results can be obtained when the classification model is optimal.Compared with the existing unknown protocol recognition methods,the proposed method utilizes deep clustering to cluster the unknown protocols,and it can mine the key features of the protocol data and recognize the unknown protocols accurately.Experimental results show that the proposed method can effectively recognize the unknown protocols,and its performance is better than other methods.

DKP-SLAM:A Visual SLAM for Dynamic Indoor Scenes Based on Object Detection and Region Probability

In dynamic scenarios,visual simultaneous localization and mapping(SLAM)algorithms often incorrectly incorporate dynamic points during camera pose computation,leading to reduced accuracy and robustness.This paper presents a dynamic SLAM algorithm that leverages object detection and regional dynamic probability.Firstly,a parallel thread employs the YOLOX object detectionmodel to gather 2D semantic information and compensate for missed detections.Next,an improved K-means++clustering algorithm clusters bounding box regions,adaptively determining the threshold for extracting dynamic object contours as dynamic points change.This process divides the image into low dynamic,suspicious dynamic,and high dynamic regions.In the tracking thread,the dynamic point removal module assigns dynamic probability weights to the feature points in these regions.Combined with geometric methods,it detects and removes the dynamic points.The final evaluation on the public TUM RGB-D dataset shows that the proposed dynamic SLAM algorithm surpasses most existing SLAM algorithms,providing better pose estimation accuracy and robustness in dynamic environments.

Formation and transformation of metastable LPSO building blocks clusters in Mg-Gd-Y-Zn-Zr alloys by spinodal decomposition and heterogeneous nucleation

To study the formation and transformation mechanism of long-period stacked ordered(LPSO)structures,a systematic atomic scale analysis was conducted for the structural evolution of long-period stacked ordered(LPSO)structures in the Mg-Gd-Y-Zn-Zr alloy annealed at 300℃~500℃.Various types of metastable LPSO building block clusters were found to exist in alloy structures at different temperatures,which precipitate during the solidification and homogenization process.The stability of Zn/Y clusters is explained by the first principles of density functional theory.The LPSO structure is distinguished by the arrangement of its different Zn/Y enriched LPSO structural units,which comprises local fcc stacking sequences upon a tightly packed plane.The presence of solute atoms causes local lattice distortion,thereby enabling the rearrangement of Mg atoms in the different configurations in the local lattice,and local HCP-FCC transitions occur between Mg and Zn atoms occupying the nearest neighbor positions.This finding indicates that LPSO structures can generate necessary Schockley partial dislocations on specific slip surfaces,providing direct evidence of the transition from 18R to 14H.Growth of the LPSO,devoid of any defects and non-coherent interfaces,was observed separately from other precipitated phases.As a result,the precipitation sequence of LPSO in the solidification stage was as follows:Zn/Ycluster+Mg layers→various metastable LPSO building block clusters→18R/24R LPSO;whereas the precipitation sequence of LPSO during homogenization treatment was observed to be as follows:18R LPSO→various metastable LPSO building block clusters→14H LPSO.Of these,14H LPSO was found to be the most thermodynamically stable structure.

Deep Learning and Tensor-Based Multiple Clustering Approaches for Cyber-Physical-Social Applications

The study delves into the expanding role of network platforms in our daily lives, encompassing various mediums like blogs, forums, online chats, and prominent social media platforms such as Facebook, Twitter, and Instagram. While these platforms offer avenues for self-expression and community support, they concurrently harbor negative impacts, fostering antisocial behaviors like phishing, impersonation, hate speech, cyberbullying, cyberstalking, cyberterrorism, fake news propagation, spamming, and fraud. Notably, individuals also leverage these platforms to connect with authorities and seek aid during disasters. The overarching objective of this research is to address the dual nature of network platforms by proposing innovative methodologies aimed at enhancing their positive aspects and mitigating their negative repercussions. To achieve this, the study introduces a weight learning method grounded in multi-linear attribute ranking. This approach serves to evaluate the significance of attribute combinations across all feature spaces. Additionally, a novel clustering method based on tensors is proposed to elevate the quality of clustering while effectively distinguishing selected features. The methodology incorporates a weighted average similarity matrix and optionally integrates weighted Euclidean distance, contributing to a more nuanced understanding of attribute importance. The analysis of the proposed methods yields significant findings. The weight learning method proves instrumental in discerning the importance of attribute combinations, shedding light on key aspects within feature spaces. Simultaneously, the clustering method based on tensors exhibits improved efficacy in enhancing clustering quality and feature distinction. This not only advances our understanding of attribute importance but also paves the way for more nuanced data analysis methodologies. In conclusion, this research underscores the pivotal role of network platforms in contemporary society, emphasizing their potential for both positive contributions and adverse consequences. The proposed methodologies offer novel approaches to address these dualities, providing a foundation for future research and practical applications. Ultimately, this study contributes to the ongoing discourse on optimizing the utility of network platforms while minimizing their negative impacts.

Falcon Optimization Algorithm-Based Energy Efficient Communication Protocol for Cluster-Based Vehicular Networks

Rapid development in Information Technology(IT)has allowed several novel application regions like large outdoor vehicular networks for Vehicle-to-Vehicle(V2V)transmission.Vehicular networks give a safe and more effective driving experience by presenting time-sensitive and location-aware data.The communication occurs directly between V2V and Base Station(BS)units such as the Road Side Unit(RSU),named as a Vehicle to Infrastructure(V2I).However,the frequent topology alterations in VANETs generate several problems with data transmission as the vehicle velocity differs with time.Therefore,the scheme of an effectual routing protocol for reliable and stable communications is significant.Current research demonstrates that clustering is an intelligent method for effectual routing in a mobile environment.Therefore,this article presents a Falcon Optimization Algorithm-based Energy Efficient Communication Protocol for Cluster-based Routing(FOA-EECPCR)technique in VANETS.The FOA-EECPCR technique intends to group the vehicles and determine the shortest route in the VANET.To accomplish this,the FOA-EECPCR technique initially clusters the vehicles using FOA with fitness functions comprising energy,distance,and trust level.For the routing process,the Sparrow Search Algorithm(SSA)is derived with a fitness function that encompasses two variables,namely,energy and distance.A series of experiments have been conducted to exhibit the enhanced performance of the FOA-EECPCR method.The experimental outcomes demonstrate the enhanced performance of the FOA-EECPCR approach over other current methods.

Unsaturated bi-heterometal clusters in metal-vacancy sites of 2D MoS2 for efficient hydrogen evolution

The valence states and coordination structures of doped heterometal atoms in two-dimensional(2D)nanomaterials lack predictable regulation strategies.Hence,a robust method is proposed to form unsaturated heteroatom clusters via the metal-vacancy restraint mechanism,which can precisely regulate the bonding and valence state of heterometal atoms doped in 2D molybdenum disulfide.The unsaturated valence state of heterometal Pt and Ru cluster atoms form a spatial coordination structure with Pt–S and Ru–O–S as catalytically active sites.Among them,the strong binding energy of negatively charged suspended S and O sites for H+,as well as the weak adsorption of positively charged unsaturated heterometal atoms for H*,reduces the energy barrier of the hydrogen evolution reaction proved by theoretical calculation.Whereupon,the electrocatalytic hydrogen evolution performance is markedly improved by the ensemble effect of unsaturated heterometal atoms and highlighted with an overpotential of 84 mV and Tafel slope of 68.5 mV dec^(−1).In brief,this metal vacancy-induced valence state regulation of heterometal can manipulate the coordination structure and catalytic activity of heterometal atoms doped in the 2D atomic lattice but not limited to 2D nanomaterials.

Engineering of oxygen vacancy and bismuth cluster assisted ultrathin Bi_(12)O_(17)Cl_(2)nanosheets with efficient and selective photoreduction of CO_(2)to CO

The photocatalytic conversion of CO_(2)into solar‐powered fuels is viewed as a forward‐looking strategy to address energy scarcity and global warming.This work demonstrated the selective photoreduction of CO_(2)to CO using ultrathin Bi_(12)O_(17)Cl_(2)nanosheets decorated with hydrothermally synthesized bismuth clusters and oxygen vacancies(OVs).The characterizations revealed that the coexistences of OVs and Bi clusters generated in situ contributed to the high efficiency of CO_(2)–CO conversion(64.3μmol g^(−1)h^(−1))and perfect selectivity.The OVs on the facet(001)of the ultrathin Bi_(12)O_(17)Cl_(2)nanosheets serve as sites for CO_(2)adsorption and activation sites,capturing photoexcited electrons and prolonging light absorption due to defect states.In addition,the Bi‐cluster generated in situ offers the ability to trap holes and the surface plasmonic resonance effect.This study offers great potential for the construction of semiconductor hybrids as multiphotocatalysts,capable of being used for the elimination and conversion of CO_(2)in terms of energy and environment.

基于分子束外延技术可控制备Bi原子团簇的研究

本研究基于分子束外延(MBE)技术在Si(111)衬底表面成功制备金属Bi原子团簇.首先,分别在100℃、125℃、150℃、175℃、200℃的生长温度下,制备了大小均一、密度不同的Bi原子团簇.实验结果表明,可以通过改变生长温度来精细控制Bi原子团簇的密度,当温度升高100℃,密度从1.05×10^(11)cm^(-2)降低至2.5×10^(7)cm^(-2),实现对团簇密度4个数量级的可控调节,并且发现Bi原子团簇密度对生长温度的依赖性符合经典成核理论.其次,分别在10 s、15 s、20 s的沉积时长下,制备了密度相同、尺寸各异的Bi原子团簇.实验结果表明,可以通过改变沉积时长来精细控制Bi原子团簇的尺寸:当沉积时长增加10 s,高度和直径分别从8.5 nm和65 nm增大到13.7 nm和100 nm,实现对团簇尺寸在10 nm高度、80 nm直径范围的可控调节,并且发现Bi原子团簇尺寸对沉积时长的依赖性符合晶体生长动力学.与分子束外延制备传统的Ⅲ族(Al,Ga,In)原子团簇做对比,这些结果可以为制备Ⅴ族原子团簇提供实验参考和指导,从而促进纳米级含Bi材料的制备.

基于50BiN望远镜的疏散星团NGC 7789的变星搜寻研究

基于西华师范大学50BiN望远镜获得的长时序测光观测数据,在疏散星团NGC 7789及其周围的20′×20′视场中搜寻到19颗变星,其中10颗是本次观测发现的。基于变星在NGC 7789颜色星等图上的位置、星团成员星概率和Gaia视差,对这19颗变星的星团成员星性质进行初步分析。结果表明,17颗变星可能是星团成员,2颗可能是场星。根据变星光变曲线的形状,周期的长度以及在颜色星等图上的位置,对这19颗变星的分类进行了初步讨论。结果表明,13颗是短周期变星(3颗δ Scuti, 7颗食双星、3颗未知类型变星),6颗是长周期变星。研究扩大了星团变星的样本数量,为开展单个变星的星震学研究和星团变星的统计研究奠定了基础。

Effects of interstitial cluster mobility on dislocation loops evolution under irradiation of austenitic steel

The evolution of dislocation loops in austenitic steels irradiated with Fe^(+)is investigated using cluster dynamics(CD)simulations by developing a CD model.The CD predictions are compared with experimental results in the literature.The number density and average diameter of the dislocation loops obtained from the CD simulations are in good agreement with the experimental data obtained from transmission electron microscopy(TEM)observations of Fe~+-irradiated Solution Annealed 304,Cold Worked 316,and HR3 austenitic steels in the literature.The CD simulation results demonstrate that the diffusion of in-cascade interstitial clusters plays a major role in the dislocation loop density and dislocation loop growth;in particular,for the HR3 austenitic steel,the CD model has verified the effect of temperature on the density and size of the dislocation loops.

A Shared Natural Neighbors Based-Hierarchical Clustering Algorithm for Discovering Arbitrary-Shaped Clusters

In clustering algorithms,the selection of neighbors significantly affects the quality of the final clustering results.While various neighbor relationships exist,such as K-nearest neighbors,natural neighbors,and shared neighbors,most neighbor relationships can only handle single structural relationships,and the identification accuracy is low for datasets with multiple structures.In life,people’s first instinct for complex things is to divide them into multiple parts to complete.Partitioning the dataset into more sub-graphs is a good idea approach to identifying complex structures.Taking inspiration from this,we propose a novel neighbor method:Shared Natural Neighbors(SNaN).To demonstrate the superiority of this neighbor method,we propose a shared natural neighbors-based hierarchical clustering algorithm for discovering arbitrary-shaped clusters(HC-SNaN).Our algorithm excels in identifying both spherical clusters and manifold clusters.Tested on synthetic datasets and real-world datasets,HC-SNaN demonstrates significant advantages over existing clustering algorithms,particularly when dealing with datasets containing arbitrary shapes.

Multiscale and Auto-Tuned Semi-Supervised Deep Subspace Clustering and Its Application in Brain Tumor Clustering

In this paper,we introduce a novel Multi-scale and Auto-tuned Semi-supervised Deep Subspace Clustering(MAS-DSC)algorithm,aimed at addressing the challenges of deep subspace clustering in high-dimensional real-world data,particularly in the field of medical imaging.Traditional deep subspace clustering algorithms,which are mostly unsupervised,are limited in their ability to effectively utilize the inherent prior knowledge in medical images.Our MAS-DSC algorithm incorporates a semi-supervised learning framework that uses a small amount of labeled data to guide the clustering process,thereby enhancing the discriminative power of the feature representations.Additionally,the multi-scale feature extraction mechanism is designed to adapt to the complexity of medical imaging data,resulting in more accurate clustering performance.To address the difficulty of hyperparameter selection in deep subspace clustering,this paper employs a Bayesian optimization algorithm for adaptive tuning of hyperparameters related to subspace clustering,prior knowledge constraints,and model loss weights.Extensive experiments on standard clustering datasets,including ORL,Coil20,and Coil100,validate the effectiveness of the MAS-DSC algorithm.The results show that with its multi-scale network structure and Bayesian hyperparameter optimization,MAS-DSC achieves excellent clustering results on these datasets.Furthermore,tests on a brain tumor dataset demonstrate the robustness of the algorithm and its ability to leverage prior knowledge for efficient feature extraction and enhanced clustering performance within a semi-supervised learning framework.

Theoretical insights into oxygen reduction reaction on Au-based single-atom alloy cluster catalysts

Developing highly active alloy catalysts that surpass the performance of platinum group metals in the oxygen reduction reaction(ORR)is critical in electrocatalysis.Gold-based single-atom alloy(AuSAA)clusters are gaining recognition as promising alternatives due to their potential for high activity.However,enhancing its activity of AuSAA clusters remains challenging due to limited insights into its actual active site in alkaline environments.Herein,we studied a variety of Au_(54)M_(1) SAA cluster catalysts and revealed the operando formed MO_(x)(OH)_(y) complex acts as the crucial active site for catalyzing the ORR under the basic solution condition.The observed volcano plot indicates that Au_(54)Co_(1),Au_(54)M_(1),and Au_(54)Ru_(1) clusters can be the optimal Au_(54)M_(1) SAA cluster catalysts for the ORR.Our findings offer new insights into the actual active sites of AuSAA cluster catalysts,which will inform rational catalyst design in experimental settings.

13 Galactic Star Clusters in Gaia DR3 Identified by An Improved FoF and UPMASK Hybrid Method Using MvC

Open clusters(OCs)serve as invaluable tracers for investigating the properties and evolution of stars and galaxies.Despite recent advancements in machine learning clustering algorithms,accurately discerning such clusters remains challenging.We re-visited the 3013 samples generated with a hybrid clustering algorithm of FoF and pyUPMASK.A multi-view clustering(MvC)ensemble method was applied,which analyzes each member star of the OC from three perspectives—proper motion,spatial position,and composite views—before integrating the clustering outcomes to deduce more reliable cluster memberships.Based on the MvC results,we further excluded cluster candidates with fewer than ten member stars and obtained 1256 OC candidates.After isochrone fitting and visual inspection,we identified 506 candidate OCs in the Milky Way.In addition to the 493 previously reported candidates,we finally discovered 13 high-confidence new candidate clusters.

Knowledge-Driven Possibilistic Clustering with Automatic Cluster Elimination

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.

Fixed-Time Cluster Optimization for Multi-Agent Systems Based on Piecewise Power-Law Design

Dear Editor,This letter focuses on the fixed-time(FXT)cluster optimization problem of first-order multi-agent systems(FOMASs)in an undirected network,in which the optimization objective is the sum of the objective functions of all clusters.A novel piecewise power-law control protocol with cooperative-competition relations is proposed.Furthermore,a sufficient condition is obtained to ensure that the FOMASs achieve the cluster consensus within an FXT.

Path-Based Clustering Algorithm with High Scalability Using the Combined Behavior of Evolutionary Algorithms

Path-based clustering algorithms typically generate clusters by optimizing a benchmark function.Most optimiza-tion methods in clustering algorithms often offer solutions close to the general optimal value.This study achieves the global optimum value for the criterion function in a shorter time using the minimax distance,Maximum Spanning Tree“MST”,and meta-heuristic algorithms,including Genetic Algorithm“GA”and Particle Swarm Optimization“PSO”.The Fast Path-based Clustering“FPC”algorithm proposed in this paper can find cluster centers correctly in most datasets and quickly perform clustering operations.The FPC does this operation using MST,the minimax distance,and a new hybrid meta-heuristic algorithm in a few rounds of algorithm iterations.This algorithm can achieve the global optimal value,and the main clustering process of the algorithm has a computational complexity of O�k2×n�.However,due to the complexity of the minimum distance algorithm,the total computational complexity is O�n2�.Experimental results of FPC on synthetic datasets with arbitrary shapes demonstrate that the algorithm is resistant to noise and outliers and can correctly identify clusters of varying sizes and numbers.In addition,the FPC requires the number of clusters as the only parameter to perform the clustering process.A comparative analysis of FPC and other clustering algorithms in this domain indicates that FPC exhibits superior speed,stability,and performance.

Cluster DetectionMethod of Endogenous Security Abnormal Attack Behavior in Air Traffic Control Network

In order to enhance the accuracy of Air Traffic Control(ATC)cybersecurity attack detection,in this paper,a new clustering detection method is designed for air traffic control network security attacks.The feature set for ATC cybersecurity attacks is constructed by setting the feature states,adding recursive features,and determining the feature criticality.The expected information gain and entropy of the feature data are computed to determine the information gain of the feature data and reduce the interference of similar feature data.An autoencoder is introduced into the AI(artificial intelligence)algorithm to encode and decode the characteristics of ATC network security attack behavior to reduce the dimensionality of the ATC network security attack behavior data.Based on the above processing,an unsupervised learning algorithm for clustering detection of ATC network security attacks is designed.First,determine the distance between the clustering clusters of ATC network security attack behavior characteristics,calculate the clustering threshold,and construct the initial clustering center.Then,the new average value of all feature objects in each cluster is recalculated as the new cluster center.Second,it traverses all objects in a cluster of ATC network security attack behavior feature data.Finally,the cluster detection of ATC network security attack behavior is completed by the computation of objective functions.The experiment took three groups of experimental attack behavior data sets as the test object,and took the detection rate,false detection rate and recall rate as the test indicators,and selected three similar methods for comparative test.The experimental results show that the detection rate of this method is about 98%,the false positive rate is below 1%,and the recall rate is above 97%.Research shows that this method can improve the detection performance of security attacks in air traffic control network.