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Reflections on the modified simplex-I
D Betteridge1, A P Wade, A G Howard
1BP Research Centre, Chertsey Road, Sunbury-on-Thames, Middlesex, England,; Department of Chemistry, University College, Singleton Park, Swansea, Wales England.
Abstract:
The modified simplex method is a well-known method of optimization. In this study several changes have been made to it. These include an adaptive weighted centroid and a Lagrange interpolation procedure. The latter is used to get a better value of the reflected point when a contraction succeeds or an expansion fails. The new method, called the composite modified simplex method (CMS) has been rigorously evaluated by means of mathematical functions, maps and chemical experimentation. The effect of the starting point and the size of the simplex have been investigated in detail. For flow-injection analysis it has proved possible to optimize 2-12 variables. The method has proved most suitable for rapid and effective optimization of polarography, flow-injection analysis and chemical synthesis. This paper describes the evaluation procedures and reviews the results obtained.
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