A heuristic and parallel simulated annealing algorithm for variable selection in near-infrared spectroscopy analysis

2016 ◽  
Vol 30 (8) ◽  
pp. 442-450 ◽  
Author(s):  
Jiyong Shi ◽  
Xuetao Hu ◽  
Xiaobo Zou ◽  
Jiewen Zhao ◽  
Wen Zhang ◽  
...  
Keyword(s):  
Simulated Annealing ◽  
Infrared Spectroscopy ◽  
Variable Selection ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Simulated Annealing Algorithm ◽  
Spectroscopy Analysis ◽  
Annealing Algorithm ◽  
Parallel Simulated Annealing

scholarly journals Rapid Biochemical Methane Potential Evaluation of Anaerobic Co-Digestion Feedstocks Based on Near Infrared Spectroscopy and Chemometrics

Energies ◽  
2021 ◽  
Vol 14 (5) ◽  
pp. 1460
Author(s):  
Jinming Liu ◽  
Changhao Zeng ◽  
Na Wang ◽  
Jianfei Shi ◽  
Bo Zhang ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Variable Selection ◽  
Root Mean Square Error ◽  
Least Squares ◽  
Mean Square Error ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Mean Square ◽  
Biochemical Methane Potential ◽  
Methane Potential

Biochemical methane potential (BMP) of anaerobic co-digestion (co-AD) feedstocks is an essential basis for optimizing ratios of materials. Given the time-consuming shortage of conventional BMP tests, a rapid estimated method was proposed for BMP of co-AD—with straw and feces as feedstocks—based on near infrared spectroscopy (NIRS) combined with chemometrics. Partial least squares with several variable selection algorithms were used for establishing calibration models. Variable selection methods were constructed by the genetic simulated annealing algorithm (GSA) combined with interval partial least squares (iPLS), synergy iPLS, backward iPLS, and competitive adaptive reweighted sampling (CARS), respectively. By comparing the modeling performances of characteristic wavelengths selected by different algorithms, it was found that the model constructed using 57 characteristic wavelengths selected by CARS-GSA had the best prediction accuracy. For the validation set, the determination coefficient, root mean square error and relative root mean square error of the CARS-GSA model were 0.984, 6.293 and 2.600, respectively. The result shows that the NIRS regression model—constructed with characteristic wavelengths, selected by CARS-GSA—can meet actual detection requirements. Based on a large number of samples collected, the method proposed in this study can realize the rapid and accurate determination of the BMP for co-AD raw materials in biogas engineering.

scholarly journals Application of Near-Infrared Spectroscopy Analysis Technology to Total Nucleosides Quality Control in the Fermented Cordyceps Powder Production Process

2020 ◽  
Vol 2020 ◽  
pp. 1-9
Author(s):  
Tiannv Shi ◽  
Yongmei Guan ◽  
Lihua Chen ◽  
Shiyu Huang ◽  
Weifeng Zhu ◽  
...  
Keyword(s):  
Quality Control ◽  
Infrared Spectroscopy ◽  
Production Process ◽  
Process Monitoring ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Powder Preparation ◽  
Spectroscopy Analysis ◽  
Online Process Monitoring ◽  
Online Process

Product quality control is a prerequisite for ensuring safety, effectiveness, and stability. However, because of the different strain species and fermentation processes, there was a significant difference in quality. As a result, they should be clearly distinguished in clinical use. Among them, the fermentation process is critical to achieving consistent product quality. This study aims to introduce near-infrared spectroscopy analysis technology into the production process of fermented Cordyceps powder, including strain culture, strain passage, strain fermentation, strain filtration, strain drying, strain pulverizing, and strain mixing. First, high performance liquid chromatography (HPLC) was used to measure the total nucleosides content in the production process of 30 batches of fermented Cordyceps powder, including uracil, uridine, adenine, guanosine, adenosine, and the process stability and interbatch consistency were analyzed with traditional Chinese medicine (TCM) fingerprinting, followed by the near-infrared spectroscopy (NIRS) combined with partial least squares regression (PLSR) to establish a quantitative analysis model of total nucleosides for online process monitoring of fermented Cordyceps powder preparation products. The model parameters indicate that the established model with good robustness and high measurement precision. It further clarifies that the model can be used for online process monitoring of fermented Cordyceps powder preparation products.

Determination of API Gravity and Total and Basic Nitrogen Content by Mid- and Near-Infrared Spectroscopy in Crude Oil with Multivariate Regression and Variable Selection Tools

2019 ◽  
Vol 52 (18) ◽  
pp. 2914-2930 ◽  
Author(s):  
Karla Pereira Rainha ◽  
Júlia Tristão do Carmo Rocha ◽  
Rayza Rosa Tavares Rodrigues ◽  
Betina Pires de Oliveira Lovatti ◽  
Eustáquio Vinicius Ribeiro de Castro ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Variable Selection ◽  
Crude Oil ◽  
Nitrogen Content ◽  
Near Infrared Spectroscopy ◽  
Multivariate Regression ◽  
Near Infrared ◽  
Basic Nitrogen ◽  
Selection Tools
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