Automorphism group algorithm in computer-aided structure elucidation

It is necessary to generate automorphism group of chemical graph in computer-aided structure eluciation. In this paper, an algorithm is developed by all-path topological symmetry algorithm to build automorphism group of chemical graph. A comparison of several topological symmetry algorithm reveals that all-path algorthm can yield correct of class of chemical graph. It lays a foundation for ESESOC system for computer-aided structure elucidation.

The algorithm on ring perception of molecule

It's important to identify ring in the process of structure elucidation. In this paper, all rings and the smallest set of smallest ring(SSSR) of structure are obtained from two-dimensional connection table. The results are satisfactory by using this algorithm in ESESOC expert system as constraint.

Computer perception of topological symmetry by all-paths algorithm

During the development of our ESESOC system (Expert System for the Elucidation of the Structures of Organic Compounds), computer perception of topological symmetry is essential in searching for the canonical description of a molecular structure, removing the irredundant connections in the structure generation process, and specifying the number of peaks in C-13- and H-1-NMR spectra in the structure evaluation process. In the present paper, a new path identifier is introduced and an algorithm for detection of topological symmetry from a connection table is developed by the all-paths method. (C) 1999 Elsevier Science B.V. All rights reserved.

ALGORITHM FOR COMPUTER PERCEPTION OF TOPOLOGICAL SYMMETRY

For the exhaustive and irredundant generation of candidate structures in ESESOC (Expert System for the Elucidation of the Structures of Organic Compounds), a new algorithm for computer perception of topological equivalence classes of the nodes (non-hydrog

LEAST-SQUARES POLYNOMIAL SMOOTHING FOR INDUCTIVELY COUPLED PLASMA ATOMIC EMISSION-SPECTRA

The use of least-squres polynomial smoothing in ICP-AES is discussed and a method of points insertion into spectral scanning intervals is proposed in the present paper. Optimal FWHM/SR ratio can be obtained, and distortion of smoothed spectra can be avoided by use of the recommended method.

A new wind vector algorithm for C-band SAR

Ocean wind speed and wind direction are estimated simultaneously using the normalized radar cross sections or' corresponding to two neighboring (25-km) blocks, within a given synthetic aperture radar (SAR) image, having slightly different incidence angles. This method is motivated by the methodology used for scatterometer data. The wind direction ambiguity is removed by using the direction closest to that given by a buoy or some other source of information. We demonstrate this method with 11 EN-VISAT Advanced SAR sensor images of the Gulf of Mexico and coastal waters of the North Atlantic. Estimated wind vectors are compared with wind measurements from buoys and scatterometer data. We show that this method can surpass other methods in some cases, even those with insufficient visible wind-induced streaks in the SAR images, to extract wind vectors.

Algorithm Studies on How to Obtain a Conditional Nonlinear Optimal Perturbation (CNOP)

The conditional nonlinear optimal perturbation (CNOP), which is a nonlinear generalization of the linear singular vector (LSV), is applied in important problems of atmospheric and oceanic sciences, including ENSO predictability, targeted observations, and ensemble forecast. In this study, we investigate the computational cost of obtaining the CNOP by several methods. Differences and similarities, in terms of the computational error and cost in obtaining the CNOP, are compared among the sequential quadratic programming (SQP) algorithm, the limited memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) algorithm, and the spectral projected gradients (SPG2) algorithm. A theoretical grassland ecosystem model and the classical Lorenz model are used as examples. Numerical results demonstrate that the computational error is acceptable with all three algorithms. The computational cost to obtain the CNOP is reduced by using the SQP algorithm. The experimental results also reveal that the L-BFGS algorithm is the most effective algorithm among the three optimization algorithms for obtaining the CNOP. The numerical results suggest a new approach and algorithm for obtaining the CNOP for a large-scale optimization problem.

Theoretical and experimental research on time-optimal trajectory planning and control of industrial robots

提出了一种用于工业机器人时间最优轨迹规划及轨迹控制的新方法，它可以确保在关节位移、速度、加速度以及二阶加速度边界值的约束下，机器人手部沿笛卡尔空间中规定路径运动的时间阳短。在这种方法中，所规划的关节轨迹都采用二次多项式加余弦函数的形式，不仅可以保证各关节运动的位移、速度 、加速度连续而且还可以保证各关节运动的二阶加速度连续。采用这种方法，既可以提高机器人的工作效率又可以延长机器人的工作寿命以PUMA560机器人为对象进行了计算机仿真和机器人实验，结果表明这种方法是正确的有效的。它为工业机器人在非线性运动学约束条件下的时间最优轨迹规划及控制问题提供了一种较好的解决方案。

基于Stewart平台六维力传感器的分区静态标定方法

基于Stewart平台的六维力传感器具有结构紧凑、刚度大、量程宽等特点,它在工业机器人、空间站对接等领域具有广泛的应用前景。好的标定方法是正确使用传感器的基础。由于基于Stewart平台的六维力传感器是一个复杂的非线性系统,所以采用常规的线性标定方法必将带来较大的标定误差从而影响其使用性能。标定的实质是,由测量值空间到理论值空间的映射函数的确定过程。由函数逼近理论可知,当只在已知点集上给出函数值时,可用多项式或分段多项式等较简单函数逼近待定函数。基于上述思想,本文将整个测量空间划分为若干连续的子测量空间,再对每个子空间进行线性标定,从而提高了整个测量系统的标定精度。实验分析结果表明了该标定方法有效。

A Scheduling Algorithm for Flexible Manufacturing Cell

In this paper, a new scheduling algorithm for the flexible manufacturing cell is presented, which is a discrete time control method with fixed length control period combining with event interruption. At the flow control level we determine simultaneously the production mix and the proportion of parts to be processed through each route. The simulation results for a hypothetical manufacturing cell are presented.

Bézier曲线间最近距离的计算方法

针对Bzier曲线间最近距离计算问题,提出一种简捷、可靠的计算方法.该方法以Bernstein多项式算术运算为工具,建立Bzier曲线间最近距离的计算模型;然后充分利用Bzier曲面的凸包性质和de Casteljau分割算法进行求解.该方法几何意义明确,能有效地避免迭代初始值的选择和非线性方程组的求解,并可进一步推广应用于计算Bzier曲线/曲面间的最近距离.实验结果表明,该方法简捷、可靠且容易实现,与Newton-Raphson方法的融合可进一步提高该方法的运行速度.

复杂条件地层滤波预测的理论与关键技术研究

The theory researches of prediction about stratigraphic filtering in complex condition are carried out, and three key techniques are put forward in this dissertation. Theoretical aspects: The prediction equations for both slant incidence in horizontally layered medium and that in laterally variant velocity medium are expressed appropriately. Solving the equations, the linear prediction operator of overlaid layers, then corresponding reflection/transmission operators, can be obtained. The properties of linear prediction operator are elucidated followed by putting forward the event model for generalized Goupillaud layers. Key technique 1: Spectral factorization is introduced to solve the prediction equations in complex condition and numerical results are illustrated. Key technique 2: So-called large-step wavefield extrapolation of one-way wave under laterally variant velocity circumstance is studied. Based on Lie algebraic integral and structure preserving algorithm, large-step wavefield depth extrapolation scheme is set forth. In this method, the complex phase of wavefield extrapolation operator’s symbol is expressed as a linear combination of wavenumbers with the coefficients of this linear combination in the form of the integral of interval velocity and its derivatives over depth. The exponential transform of the complex phase is implemented through phase shifting, BCH splitting and orthogonal polynomial expansion. The results of numerical test show that large-step scheme takes on a great number of advantages as low accumulating error, cheapness, well adaptability to laterally variant velocity, small dispersive, etc. Key technique 3: Utilizing large-step wavefield extrapolation scheme and based on the idea of local harmonic decomposition, the technique generating angle gathers for 2D case is generalized to 3D case so as to solve the problems generating and storing 3D prestack angle gathers. Shot domain parallel scheme is adopted by which main duty for servant-nodes is to compute trigonometric expansion coefficients, while that for host-node is to reclaim them with which object-oriented angle gathers yield. In theoretical research, many efforts have been made in probing into the traits of uncertainties within macro-dynamic procedures.