Abstract

Formulation of the simplex matrix referred to n-D space, is presented in terms of the scalar product of vectors, known from elementary algebra. The principles of a simplex optimization procedure are presented on a simple example, with use of a target function taken as a criterion of optimization, where accuracy and precision are treated equally in searching optimal conditions of a gravimetric analysis.

Highlights

  • Simplex is a geometric figure, formed on the basis of n +1 points Ai (i = 0, n) in the n-dimensional space, i.e., a number of the points exceeds the dimension of the space by one

  • Specifying the coordinates for Ai is easy if it concerns the 2-D or 3-D space, but it becomes less comprehensible when the issue concerns the n-dimensional (n-D) simplex

  • The simplex concept is the basis for the Nelder-Mead [2] simplex optimization procedure (SOP) [3], conceived as a modification of the simplex method of Spendley, Hext and Himsworth [4]

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Summary

Introduction

Simplex is a geometric figure, formed on the basis of n +1 points Ai (i = 0, , n) in the n-dimensional space, i.e., a number of the points exceeds the dimension of the space by one. Michałowski is widely applicable and popular in different fields of chemistry, chemical engineering, and medicine [9]. It works well in practice on a wide variety of problems, where real-valued minimization functions with scalar variables are applied. The problem of obtaining the simplex matrix in n-D space will be presented on the basis of the triangle and the scalar product concept, well-known to the students from earlier stages of education. The evolution of the simplex according to SOP [3] [18] will be presented in a understandable manner

Simplexes in 2-D and 3-D Space
Simplexes in n-D Space
Translation and Reflection of the Simplex
An Objective Function
Decision Variables and Arrangement of Experimental Conditions
Design of Experiments and Optimization within the Starting Simplex
Optimization at the Points of Evolving Simplex
Example of SOP
Analytical Prescription
Decision Variables
Results of Analyses within the Initial Simplex
Final Comments

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