Near-infrared spectral characteristic wavelength selecting method based on improved simulated annealing algorithm

A simulated annealing algorithm and near-infrared spectroscopy technology, which is applied in the field of near-infrared spectroscopy, can solve problems such as unsatisfactory effects, achieve improved effects and simplify parameter settings

Active Publication Date: 2013-02-13
JIANGSU UNIV
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Problems solved by technology

This method uses the Metropolis criterion to judge the importance of the old solution and the new solution when selecting the characteristic wavelength, but the effect is not ideal

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  • Near-infrared spectral characteristic wavelength selecting method based on improved simulated annealing algorithm
  • Near-infrared spectral characteristic wavelength selecting method based on improved simulated annealing algorithm
  • Near-infrared spectral characteristic wavelength selecting method based on improved simulated annealing algorithm

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[0037] The present invention will be described in detail below in conjunction with various embodiments shown in the drawings. However, these embodiments do not limit the present invention, and any structural, method, or functional changes made by those skilled in the art according to these embodiments are included in the protection scope of the present invention.

[0038] ginseng figure 1 Shown is a schematic flow chart of a method for selecting a near-infrared spectrum characteristic wavelength based on an improved simulated annealing algorithm of the present invention, comprising the following steps:

[0039] S1. Input the near-infrared spectrum data set, randomly initialize the current solution S, initialize the value of the global variable S_global to the current solution S, and initialize the value of the temperature parameter t to the initial temperature t 0 ;

[0040] S2, judging whether the temperature parameter t is greater than the end temperature t f , if yes, ex...

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Abstract

The invention provides a near-infrared spectral characteristic wavelength selecting method based on an improved simulated annealing algorithm. The near-infrared spectral characteristic wavelength selecting method comprises the following steps of: firstly, randomly initializing an existing solution S for a near-infrared spectral data set; then, generating a novel solution S' based on the current solution S under control of a temperature parameter t and a markoff chain length parameter L, and judging importance of the existing solution S and the novel solution S' according to an improved Metropoli acceptance criterion; and finally, returning to effects of the optimal characteristic wavelength and a model corresponding to the optimal characteristic wavelength when the temperature control parameter t reaches a set ending temperature. According to the near-infrared spectral characteristic wavelength selecting method, an Metropolis acceptance criterion in a traditional simulated annealing algorithm is improved, so that the improved simulated annealing algorithm not only improves an effect of selecting a near-infrared spectral characteristic wavelength and simplifies parameter setting of the simulated annealing algorithm, but also keeps the characteristics that the traditional simulated annealing algorithm jumps out of a local optimal solution and rapid convergence is achieved.

Description

technical field [0001] The invention relates to the technical field of near-infrared spectroscopy, in particular to a method for selecting characteristic wavelengths of near-infrared spectroscopy based on an improved simulated annealing algorithm. Background technique [0002] In recent years, near-infrared spectroscopy, as a quantitative and qualitative analysis method, has been successfully used in many fields such as agriculture, environment, and pharmaceuticals. The near-infrared spectral analysis method first obtains the spectral information of the sample to be tested under a specific near-infrared band (usually 700-2500nm), and then uses the spectral information to perform quantitative or qualitative analysis on the sample. The basic principle of near-infrared spectroscopy is that near-infrared spectroscopy can record the frequency multiplication and combination frequency information of the fundamental vibration of chemical bonds, which mainly characterizes the frequen...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N21/35G06F19/00G01N21/359
Inventor 邹小波石吉勇赵杰文黄晓玮黄星奕蔡健荣陈全胜孙宗保林颢
Owner JIANGSU UNIV
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