Vega-Catalan F J
Computer Science Department, University of Ibadan, Nigeria.
Comput Biomed Res. 1988 Aug;21(4):343-8. doi: 10.1016/0010-4809(88)90049-3.
A dedicated nonlinear regression program for the identification of steady-state processes is described in detail. Experimental data are fitted to the rational function which describes such systems. The algorithm makes use of parameter separation to relieve the user from the need to assign initial estimates to the linear parameters and to speed up the computation. A modified Marquardt algorithm is used and some properties of the function are exploited to improve the convergence rate and execution time. The search is made constrained by the addition of a penalty function to the residual sum of squares. Graphics are included to help the user find good initial estimates for the nonlinear parameters and as an aid to judge the goodness of fit of the result. Residual plots are also available to help the user identify the origin of the differences in the statistical tests. A final prediction error test is provided since this statistic is thought to be the most appropriate for the nonlinear function used. An enzyme kinetic example illustrates the procedure. The program was coded in Turbo Pascal on an IBM compatible PC.
详细描述了一个用于识别稳态过程的专用非线性回归程序。实验数据被拟合到描述此类系统的有理函数。该算法利用参数分离,使用户无需为线性参数指定初始估计值,并加快计算速度。使用了改进的马夸特算法,并利用函数的一些特性来提高收敛速度和执行时间。通过在残差平方和中添加惩罚函数来限制搜索。包含图形以帮助用户找到非线性参数的良好初始估计值,并辅助判断结果的拟合优度。还提供残差图以帮助用户识别统计检验中差异的来源。由于认为该统计量最适合所使用的非线性函数,因此提供了最终预测误差检验。一个酶动力学示例说明了该过程。该程序用Turbo Pascal在IBM兼容个人电脑上编码。