基于局域相关向量机回归模型的小尺度网络流量的非线性预测

基于非线性时间序列局域预测法与相关向量机回归模型, 本文提出了局域相关向量机预测方法, 并应用于预测实际的小尺度网路流量序列. 应用基于信息准则的局域预测法邻近点的选取方法来选取局域相关向量机回归模型的邻近点个数. 对比分析了局域相关向量机预测法、前馈神经网络模型与局域线性预测法对网络流量序列的预测性能, 其中前馈神经网络模型的参数采用粒子群优化算法来优化. 实验结果表明: 邻近点优化后的局域相关向量机回归模型能够有效地预测小尺度网络流量序列, 归一化均方误差很小; 局域相关向量机回归模型生成的时间序列具有与原网络流量时间序列相一致的概率分布; 局域相关向量机回归模型的预测精度好于前馈神经网络模型的与局域线性预测法的. 关键词： 小尺度网络流量 非线性时间序列预测方法 局域预测法 相关向量机回归模型     

离散式任意充磁角度Halbach永磁电机解析模型研究

Halbach电机因其自身优势在新型船舶推进、海洋洋流发电等方面受到广泛关注. 本文在假设铁磁材料线性和定子内表面光滑的条件下, 通过将任意充磁角度Halbach阵列等效为两组90° Halbach(或180° Halbach)阵列的矢量合成, 提出了一种分析离散式任意充磁角度Halbach永磁电机气隙磁场的解析方法; 通过对电机中磁标量势的傅里叶级数进行计算, 推导出了最简单的90° Halbach永磁电机在极坐标系下的气隙磁密表达式, 并在此基础上, 给出了任意充磁角度Halbach电机永磁体磁化强度在一个极下的表达式, 进而得出任意充磁角度Halbach电机气隙磁密的分布, 并分析了气隙磁密与电机极对数、永磁体厚度和充磁角度间的关系. 最后通过有限元和试验结果验证了本文方法的正确性. 关键词： 离散式Halbach电机 任意充磁角度 矢量等效 解析模型     

Structural characterization of pseudo-binary semiconducting alloys using molecular simulations

Monte Carlo simulations with the Keating model have been performed to predict the lattice constant and bond length variations with composition for pseudo-binary semiconducting alloys. In general, it is observed that the deviations of the lattice constants from Vegard's law predictions are larger as the lattice mismatch between the constituent binaries increases. Further, it is noted that these alloys have partial virtual crystal model characteristics and tend to be more towards the flexible (floppy) crystal limit as compared to the rigid crystal limit. The topological rigidity parameters are bond-type dependent. The angular deviations from perfect tetrahedral structure are also measured.     

An effective force field for molecular dynamics simulations of dimethyl sulfone

A rigid five-site united atom model for dimethyl sulfone (DMSO₂) compatible with the GROMOS force field is parametrized and tested. The parameters were optimized with respect to experimental quantities such as liquid density, heat of vaporization, shear viscosity and excess free energy. Good agreement with pure component properties is achieved except for the static dielectric permittivity which is calculated too low. Together with the SPC model for water the new DMSO₂ model was used to study aqueous mixtures at low concentrations and compared to aqueous mixtures of DMSO. It is concluded that interaction parameters for sulfoxide oxygen are not directly transferable to sulfonyl oxygen.     

Identification of functionally key residues in maltose transporter with an elastic network model-based thermodynamic method

Periplasmic binding protein-dependent maltose transport system (MBP-MalFGK₂) of Escherichia coli, an important member of the Adenosine triphosphate-binding cassette transporter superfamily, is in charge of the transportation of maltoses across cellular membrane. Studies have shown that this transport processes are activated by the binding of maltose and are accompanied by large-scale cooperative movements between different domains which are mediated by a network of important residues related to signal transduction and allosteric regulation. In this paper, the functionally crucial residues and long-range allosteric pathway of the regulation of the system by substrate were identified by utilising a coarse-grained thermodynamic method proposed by our group. The residues whose perturbations markedly change the binding free energy between maltoses and MBP-MalFGK₂ were considered to be key residues. In result, the key residues in 62 clusters distributed in different subdomains were identified successfully, and the results from our calculation are highly consistent with experimental and theoretical observations. Furthermore, we explored the long-range cooperation within the transporter. These studies will help us better understand the physical mechanism of the effects of the maltose on MBP-MalFGK₂ by long-range allosteric modulation.     

Simulation of pedestrian counter flow through bottlenecks by using an agent-based model

Considerable research has been conducted on the topic of unidirectional evacuations from exits. However, few studies aim at simulating counter flow through a bottleneck with complex conflict. This paper proposes an agent-based model to investigate bidirectional flow evacuation. Pedestrian speed is determined by the speed of the leading agent and the surrounding agents. The moving direction of pedestrian originates from four forces, namely, gradient force, repulsive force, resistance force, and random force. These four forces dominate the main stream of the pedestrian moving trajectory, the interaction between pedestrians and their local environment, the resistance or disinclination to movement, and the random variations and chaotic nature of pedestrian dynamics. The novelty of this research is in the agent-based model that combines the agent and forces while providing insights for the simulation of the pedestrian dynamic on the cognitive level. The experiment results show that the behavior that arises from this model is consistent with the observations from Guangzhou Metro and that this model could help capture the essence of pedestrian behavior near egresses.     

An insight to the nonextensive parameter in the actual gas

The ideal gas has been reinvestigated in the framework of Tsallis nonextensive statistics, which can be called nonextensive gas. According to the modified thermodynamic relationships, and applying the nonextensive gas model to analyze actual gas, the relationship between the nonextensive parameter and the second virial coefficient can be deduced. On the other hand, this coefficient can also be expressed as the integration of interaction potential between the molecules of actual gas. This indicates that the nonextensive parameter may be related to the interaction potential. Our further analysis to the relation seems to imply that the nonextensive parameter is irrelevant to the thermodynamic temperature of the gas.