Optimization

by Nikolai V. Shokhirev

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Optimization algorithms

• Introduction 
• Linear vs. Non-linear Optimization 
• One dimensional optimization
• One-dimensional vs. Multi-dimensional Optimization

Global Optimization

Development  . . .

Fitting Problem

Function (curve) fitting problem is a typical optimization problem. This problem is minimization the deviations of a fitting curve from experimental point. Two popular fitting algorithms are described here.

Optimization in Chemistry

• Electrochemical Fit - SVD and Levenberg-Marquardt fit
• DE Electrochemical Fit - Fit using Differential Evolution algorithm
• Temperature dependence fitting of NMR shifts

Genetic Algorithms

• The Canonical GA
• The Differential Evolution

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