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A Workflow-Based Optimization Method for Vibration Spectral Analysis Model

一种振动光谱、分析模型的技术，应用在光谱分析领域，能够解决缺乏系统工作流程、模型超参数优化和多模型性能繁琐等问题，达到避免人工操作、避免人工操作和主观判断、避免主观判断的效果

Active Publication Date: 2022-03-11
ZHEJIANG UNIV
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  • Abstract
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  • Claims
  • Application Information

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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

Method used

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  • A Workflow-Based Optimization Method for Vibration Spectral Analysis Model
  • A Workflow-Based Optimization Method for Vibration Spectral Analysis Model
  • A Workflow-Based Optimization Method for Vibration Spectral Analysis Model

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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 a workflow-based vibration spectrum analysis model optimization method. Initialize and determine the evaluation parameters of the vibration spectrum analysis model and the optimization object of the vibration spectrum analysis model, arrange and combine the preprocessing method and the multivariate analysis method to obtain a method combination; calculate the hyperparameters and corresponding hyperparameter space combinations under each method combination; Input the training set into each combination of methods, and optimize the calculation to determine the optimal hyperparameters of the combination of methods; input the training set into the training to obtain model parameters, and thus obtain each combination model; input the test set into each combination model, and calculate the parameters of each combination model Evaluate the parameters and select the optimal model. The invention establishes a work flow, avoids cumbersome manual operations and subjective judgments, more fully utilizes parallel computing resources, and provides a new system model optimization mode that traditional spectrum analysis software does not have.

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 Patents(China)
IPC IPC(8): G06F30/27G06K9/62G01N21/65G01N21/3563G01N21/359G06F111/06
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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