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An optimization method of vibration spectrum analysis model based on workflow

A vibration spectroscopy and analysis model technology, applied in the field of spectral analysis, can solve the problems of model hyperparameter optimization and multi-model performance cumbersome, lack of system workflow, etc., to avoid manual operation and subjective judgment, avoid manual operation, and reduce omissions. Effect

Active Publication Date: 2019-02-01
ZHEJIANG UNIV
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Problems solved by technology

[0003] Aiming at the problem that the model hyperparameter optimization and multi-model performance comparison of vibration spectrum analysis is too cumbersome and lacks a systematic workflow, the purpose of the present invention is to design and provide a vibration spectrum analysis model optimization method based on workflow, through cross-validation and network grid search to provide an efficient workflow

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  • An optimization method of vibration spectrum analysis model based on workflow
  • An optimization method of vibration spectrum analysis model based on workflow
  • An optimization method of vibration spectrum analysis model based on workflow

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Embodiment Construction

[0038] The present invention will be further described below in conjunction with the accompanying drawings of the description.

[0039] Embodiments of the present invention are as follows:

[0040] Consider a modeling task for the qualitative analysis of Raman spectroscopy data from a pharmaceutical tablet. The sample contains 310 pieces of data, 4 categories, near-infrared spectra such as figure 2 shown.

[0041] The typical method combination structure diagram established is as follows: image 3 As shown, the preprocessing method includes the standard normal variate (SNV) used to remove the effect of scattering and the Savitzky-Golay filter (Savitzky-Golay filter, SGF) used to remove high-frequency noise to achieve a smooth effect . ,

[0042] Among them, the multivariate analysis methods include partial least squares (partial least squares, PLS), principal component analysis (principle component analysis, PCA) which belongs to the dimensionality reduction algorithm, a...

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Abstract

The invention discloses an optimization method of a vibration spectrum analysis model based on a workflow. The method includes initilizing and determining the evaluation parameters of the vibration spectrum analysis model and the optimization object of the vibration spectrum analysis model, and combine the pretreatment method and the multivariate analysis method to obtain the method combination; calculating the super-parameter and the corresponding super-parameter space combination under each method combination; the training set is input to each method combination, and the optimal super-parameter of the method combination is optimized. The training sets are input into the training to obtain the model parameters, and the combined models are obtained. Input the test set into each combinationmodel, calculate the evaluation parameters of each combination model, and select the optimal model. The invention establishes a work flow, avoids tedious manual operation and subjective judgment, makes fuller use of parallel computing resources, and provides a new system model optimization mode which is not possessed by the traditional spectrum analysis software.

Description

technical field [0001] The invention relates to a model optimization processing method in the field of spectrum analysis, in particular to a workflow-based vibration spectrum analysis model optimization method. Background technique [0002] Modern spectral analysis technology has gradually become one of the mainstream technologies for non-destructive testing of products in agriculture, medicine, petroleum and other industries due to its advantages of convenience, quickness, low cost, and no pollution. Due to the complexity and diversity of various biological systems, vibrational spectra often contain many noise components, and the information they provide cannot be observed intuitively. Therefore, it is necessary to use various multivariate analysis methods with appropriate preprocessing techniques to analyze spectral data. Perform modeling analysis. Different multivariate analysis methods are suitable for different types of spectral data and predictive indicators, and vari...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F17/50G06K9/62G01N21/65G01N21/3563G01N21/359
CPCG01N21/3563G01N21/359G01N21/65G06F30/20G06F18/214G06F18/24G01N29/46G01N29/4472G01N29/449G06N7/01G06N20/00G06F17/18
Inventor 林涛徐金凡应义斌
Owner ZHEJIANG UNIV
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