Prediction of membrane spanning segments and topology in β‐barrel membrane proteins at better accuracy

Prediction of membrane spanning segments in β‐barrel outer membrane proteins (OMP) and their topology is an important problem in structural and functional genomics. In this work, we propose a method based on radial basis networks for predicting the number of β‐strands in OMPs and identifying their membrane spanning segments. Our method showed a leave‐one‐out cross validation accuracy of 96% in a set of 28 OMPs, which have the range of 8–22 β‐strand segments. The β‐strand segments in OMPs and the residues in membrane spanning segments are correctly predicted with the accuracy of 96% and 87%, respectively. We have developed a web server, TMBETAPRED‐RBF for predicting the transmembrane β‐strands from amino acid sequence and it is available at http://rbf.bioinfo.tw/～sachen/tmrbf.html . We suggest that our method could be an effective tool for predicting the membrane spanning regions and topology of β‐barrel membrane proteins. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010     

稀土萃取分离过程软测量方法的研究

分析了稀土组分含量在线检测技术进展缓慢的原因,分析了稀土萃取分离过程机制,找出影响稀土组分含量检测的主要因素,确定辅助变量。利用从包钢稀土厂采集的数据通过newrb函数创建径向基网络来实现稀土组分含量的软测量。文中通过流程图详细阐述了建模方法,采用50组样本数据对所建立的模型进行计算机仿真验证,仿真结果证明了模型的可行性。     

Locality properties of radial basis function expansion coefficients for equispaced interpolation

Natasha Flyer ^{Many types of radial basis functions (RBFs) are global in termsof having large magnitude across the entire domain. Yet, incontrast, e.g. with expansions in orthogonal polynomials, RBFexpansions exhibit a strong property of locality with regardto their coefficients. That is, changing a single data valuemainly affects the coefficients of the RBFs which are centredin the immediate vicinity of that data location. This localityfeature can be advantageous in the development of fast and well-conditionediterative RBF algorithms. With this motivation, we employ hereboth analytical and numerical techniques to derive the decayrates of the expansion coefficients for cardinal data, in both1D and 2D. Furthermore, we explore how these rates vary in theinteresting high-accuracy limit of increasingly flat RBFs.}     

FLNG低温软管内衬波纹管多目标优化设计

低温柔性管道是海上浮式液化天然气生产储卸装置系统中输送液化天然气的核心装备之一。U型波纹管作为低温柔性管道最内层结构,直接影响低温管道的安全性。本文选取波径和环板长度作为独立结构设计参数进行结构分析,解决了在传统的U型波纹管灵敏度分析中,波高会随波距的改变而改变的耦合计算问题。构建了径向基函数神经网络代理模型,采用遗传算法对U型波纹管结构开展了多目标优化,获得以拉伸刚度最大和弯曲刚度最小为优化目标时的帕累托最优解集,为U型波纹管在实际工程应用中提供有益的设计参考。

     

基于ANN的定向井有杆抽油系统悬点示功图特征参数的计算

有杆抽油系统悬点示功图的特征参数是合理选择地面机电设备的主要依据.由于井下工况的复杂性和部分参数难以确定,使得基于求解高维时变非线性方程的传统方法的计算结果存在偏差.本文将传统方法和神经网络相结合,给出了一种能比较精确地确定定向井有杆抽油系统悬点示功图特征参数的方法,避免了建立和求解复杂的非线性动力学方程.首先依据传统方法,计算出简化悬点示功图的特征参数.然后考虑抽油杆柱弹性振动、抽油杆与油管之问的库仑和粘性摩擦、气体和供液能力等因素的影响,利用BP神经网络和RBF神经网络建立了不同工况下悬点示功图特征参数的计算模型.利用现场实测数据对建立的神经网络进行了训练和测试.测试结果表明了本文方法的正确性和有效性.     

动态环境下光纤陀螺误差辨识与补偿技术

为了提高光纤陀螺在高动态环境下的测量精度,需要精确地辨识角加速度信息以便有效地补偿。针对直接对陀螺的角速度信息微分处理后得到角加速度的方法误差较大的问题,提出了将微分后的角加速度信息分为线性和非线性两个部分,其中线性部分采用Savitzky-golay最小二乘拟合,而非线性部分则采用RBF神经网络技术进行拟合。上述处理方法能更真实地反映实际物理过程,具有较强的自适应性和较好的拟合效果。通过试验验证,证明了该方法的有效性和准确性,提高了角加速度辨识精度,比直接微分的方法测量精度提高二个数量级,有效地补偿了陀螺仪在高动态环境下的测量精度。     

Solution of time-domain acoustic wave propagation problems using a RBF interpolation model with “a priori” estimation of the free parameter

In the last decade, Meshless Methods have found widespread application in different fields of engineering and science. Beyond novelty, their mathematical simplicity and numerical accuracy have been the key of their rapid dissemination. Among meshless techniques, RBF (Radial Basis Functions) based methods can be simple and general to solve the problems related to multiple areas of applied physics and engineering. In the specific field of acoustics, there are usually two possible approaches for solving a problem: time- and frequency-domain. In this paper, the authors propose a local time-domain approach to establish an efficient methodology for the solution of large-scale acoustic wave propagation problems. For this purpose, a local interpolation scheme, based on the reproduction of the local wave field using RBFs (MultiQuadric and Gaussian), is implemented and its accuracy is verified against known closed-form solutions. An explicit time-domain marching procedure is adopted, and the quality of the numerical results is also compared with that obtained using standard space-time Finite-Difference schemes. Additionally, the RBF interpolation model is used to simulate the propagation of a Ricker pulse in two simple test cases, and applied to simulate a more complex configuration, corresponding to an underwater sound propagation problem. In this frame, the results are also compared with those computed using a fourth-order in space and second-order in time Finite-Difference scheme.     

A RECONSTRUCTION METHOD FOR FINITE VOLUME FLOW FIELD SOLVING BASED ON INCREMENTAL RADIAL BASIS FUNCTIONS

由于流场参数重构中, 用于重构的基网格单元的物理参数波动量相对于均值较小, 径向基函数（RBF） 直接插值方法重构会产生较大的数值振荡, 论文提出了一种增量RBF 插值方法, 并用于有限体积的流场重构步, 明显改善了插值格式的收敛性和稳定性. 算例首先通过简单的一维模型说明该方法的有效性, 当目标函数波动量相对于均值为小量时, 增量RBF 插值能够抑制数值振荡; 进一步通过二维亚音速、跨音速定常无黏算例、静止圆柱绕流非定常算例以及超音速前台阶算例来说明该方法在典型流场数值求解中的通用性和有效性. 研究表明增量RBF 重构方法可陡峭地捕捉激波间断, 可有效改善流场求解的收敛性和稳定性, 数值耗散小, 计算效率高.     

Use of radial basis functions for solving the second‐order parabolic equation with nonlocal boundary conditions

Nonlocal mathematical models appear in various problems of physics and engineering. In these models the integral term may appear in the boundary conditions. In this paper the problem of solving the one‐dimensional parabolic partial differential equation subject to given initial and nonlocal boundary conditions is considered. These kinds of problems have certainly been one of the fastest growing areas in various application fields. The presence of an integral term in a boundary condition can greatly complicate the application of standard numerical techniques. As a well‐known class of meshless methods, the radial basis functions are used for finding an approximation of the solution of the present problem. Numerical examples are given at the end of the paper to compare the efficiency of the radial basis functions with famous finite‐difference methods. © 2007 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2008     

A numerical approach based on the meshless collocation method in elastodynamics

In this paper, a collocation technique with the modified equilibrium on line method （ELM） for imposition of Neumann （natural） boundary conditions is presented for solving the two-dimensional problems of linear elastic body vibrations. In the modified ELM, equilibrium over the lines on the natural boundary is satisfied as Neumann boundary condition equations. In other words, the natural boundary conditions are satisfied naturally by using the weak formulation. The performance of the modified version of the ELM is studied for collocation methods based on two different ways to construct meshless shape functions： moving least squares approximation and radial basis point interpolation. Numerical examples of two-dimensional free and forced vibration analyses show that by using the modified ELM, more stable and accurate results would be obtained in comparison with the direct collocation method.