Citation: CHENG Jie-Hong, CHEN Zheng-Guang. Wavelength Selection Method for Near Infrared Spectroscopy Based on Iteratively Retains Informative Variables and Successive Projections Algorithm[J]. Chinese Journal of Analytical Chemistry, ;2021, 49(8): 1402-1409. doi: 10.19756/j.issn.0253-3820.201307 shu

Wavelength Selection Method for Near Infrared Spectroscopy Based on Iteratively Retains Informative Variables and Successive Projections Algorithm

CHENG Jie-Hong ,
CHEN Zheng-Guang ^,

College of Electrical and Information, Heilongjiang Bayi Agricultural University, Daqing 163319, China

Corresponding author: CHEN Zheng-Guang, ruzee@sina.com
Received Date: 25 May 2020
Revised Date: 18 January 2021

Fund Project: Supported by the National Key R&D Program of China (No.2016YFD0701300), the key Scientific Research Program of Heilongjiang Agricultural Reclamation Bureau (No.HKKYZD190804), and the Scientific Research Projects of Basic Scientific Research Funds in Heilongjiang Provincial Colleges and Universities (No.ZRCPY201913).

As a wavelength selection algorithm, successive projection algorithm (SPA) is used in the quantitative analysis of near infrared spectroscopy to simplify the model complexity and improve the prediction accuracy. According to the principle of SPA algorithm, SPA method can only ensure that there is low redundancy between the two wavelengths selected by two adjacent projections, but it does not guarantee that the selected variables must be effective variables, that is to say, the subset of variables screened by SPA may contain some uninformation variables or even interfering variables. We extract effective variables (i.e. strong and weak information variables) by iteratively retains informative variables (IRIV), and then select wavelength by SPA based on effective variables, so as to solve the problem that the selected variables by SPA may contain uninformation and interfering variables, and improve the prediction accuracy of the model. The improved IRIV-SPA is applied to processing of two groups of public NIR spectral data. After the wavelengths are selected, the MLR model is established and compared with the FULL-PLSR model and some other commonly used high-performance wavelength selection methods (SPA, IRIV, RF) to prove the effectiveness of the improved IRIV-SPA algorithm. The results show that the improved IRIV-SPA-MLR model has the best prediction accuracy under two opening test datasets, which greatly improves the prediction accuracy and simplifies the complexity of the model compared with other algorithms. The improved IRIV-SPA can achieve efficient dimensionality reduction and is an effective wavelength selection algorithm.
- Near-infrared spectroscopy,
- Wavelength selection,
- Multivariate calibration,
- Successive projection algorithm,
- Iteratively retains informative variables
1. [1]
  MEHMOOD T, LILAND K H, SNIPEN L, SAEBO S S. Chemom. Intell. Lab. Syst., 2012, 118: 62-69.
2. [2]
  YUN Y H, LI H D, DENG B C, CAO D S. TrAC-Trends Anal. Chem., 2019, 113: 102-115.
3. [3]
  ZOU X B, ZHAO J W, POVEY M J W, HOLMES M, MAO H P. Anal. Chim. Acta, 2010, 667(1-2): 14-32.
4. [4]
  ARAUJO M C U, SALDANHA T C B, GALVÄO R K H, YONEYAMA T, CHAME H C, VISANI V. Chemom. Intell. Lab. Syst., 2001, 57(2): 65-73.
5. [5]
6. [6]
7. [7]
8. [8]
  TANG R, CHEN X, LI C. Appl. Spectrosc., 2018, 72(5): 740-749.
9. [9]
  DE ALMEIDA V E, GOMES A D, FERNANDES D D D, GOICOECHEA H C, GALVAO R K H, ARAUJO M C U. Talanta, 2018, 181: 38-43.
10. [10]
11. [11]
12. [12]
  YUN Y H, WANG W T, TAN M L, LIANG Y Z, LI H D, CAO D S, LU H M, XU Q S. Anal. Chim. Acta, 2014, 807: 36-43.
13. [13]
  LI H D, XU Q S, LIANG Y Z. Anal. Chim. Acta, 2012, 740: 20-26.
14. [14]
  [dataset] U.S. Army, Near Infrared Spectra of Diesel Fuels, Soutwest Research Institute (SWRI), Eigenvector Research Inconrporated.
15. [15]
  [dataset] Havstrom, Soil Samples Measured by NIR, Long Term Field Experiment in Abisko, Quality & Technology.
16. [16]
17. [17]
  SOARES S F C, GOMES A, FILHO A R G, ARAUJO M C U, GALVAO R K H. TrAC-Trends Anal. Chem., 2013, 42: 84-98.
18. [18]
19. [19]
20. [20]
21. [21]
1. [1]
  Wenliang Wang , Weina Wang , Lixia Feng , Nan Wei , Sufan Wang , Tian Sheng , Tao Zhou . Proof and Interpretation of Severe Spectroscopic Selection Rules. University Chemistry, 2025, 40(3): 415-424. doi: 10.12461/PKU.DXHX202408063
2. [2]
  Jiahui CHEN , Tingting ZHENG , Xiuyun ZHANG , Wei LÜ . Research progress of near-infrared absorption inorganic nanomaterials in photothermal and photodynamic therapy of tumors. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2396-2414. doi: 10.11862/CJIC.20240106
3. [3]
  Han ZHANG , Jianfeng SUN , Jinsheng LIANG . Hydrothermal synthesis and luminescent properties of broadband near-infrared Na₃CrF₆ phosphor. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 349-356. doi: 10.11862/CJIC.20240098
4. [4]
  Qi Wang , Yicong Gao , Feng Lu , Quli Fan . Preparation and Performance Characterization of the Second Near-Infrared Phototheranostic Probe: A New Design and Teaching Practice of Polymer Chemistry Comprehensive Experiment. University Chemistry, 2024, 39(11): 342-349. doi: 10.12461/PKU.DXHX202404141
5. [5]
  Xu Liu , Chengfang Liu , Jie Huang , Xiangchun Li , Wenyong Lai . Research on the Application of Diversified Teaching Models in the Teaching of Physical Chemistry. University Chemistry, 2024, 39(8): 112-118. doi: 10.3866/PKU.DXHX202402021
6. [6]
  Yipeng Zhou , Chenxin Ran , Zhongbin Wu . Metacognitive Enhancement in Diversifying Ideological and Political Education within Graduate Course: A Case Study on “Solar Cell Performance Enhancement Technology”. University Chemistry, 2024, 39(6): 151-159. doi: 10.3866/PKU.DXHX202312096
7. [7]
  Shihui Shi , Haoyu Li , Shaojie Han , Yifan Yao , Siqi Liu . Regioselectively Synthesis of Halogenated Arenes via Self-Assembly and Synergistic Catalysis Strategy. University Chemistry, 2024, 39(5): 336-344. doi: 10.3866/PKU.DXHX202312002
8. [8]
  Yunhao Zhang , Yinuo Wang , Siran Wang , Dazhen Xu . Progress in Selective Construction of Functional Aromatics from Nitrogenous Cycloalkanes. University Chemistry, 2024, 39(11): 136-145. doi: 10.3866/PKU.DXHX202401083
9. [9]
  Yifang Xu , Jie Zheng , Liangbing Gan . The Conception and Practice of Cultivating Outstanding and Diverse Graduate Students in Basic Disciplines: A Case Study of Graduate Student Cultivation in Chemistry Program at Peking University. University Chemistry, 2024, 39(6): 1-6. doi: 10.3866/PKU.DXHX202404018
10. [10]
  Xianggui Kong , Wenying Shi . Comprehensive Chemical Experimental Design of Optically Encrypted Materials. University Chemistry, 2025, 40(3): 355-362. doi: 10.12461/PKU.DXHX202406067
11. [11]
  Peiran ZHAO , Yuqian LIU , Cheng HE , Chunying DUAN . A functionalized Eu³⁺ metal-organic framework for selective fluorescent detection of pyrene. Chinese Journal of Inorganic Chemistry, 2024, 40(4): 713-724. doi: 10.11862/CJIC.20230355
12. [12]
  Jiakun BAI , Ting XU , Lu ZHANG , Jiang PENG , Yuqiang LI , Junhui JIA . A red-emitting fluorescent probe with a large Stokes shift for selective detection of hypochlorous acid. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1095-1104. doi: 10.11862/CJIC.20240002
13. [13]
  Xilin Zhao , Xingyu Tu , Zongxuan Li , Rui Dong , Bo Jiang , Zhiwei Miao . Research Progress in Enantioselective Synthesis of Axial Chiral Compounds. University Chemistry, 2024, 39(11): 158-173. doi: 10.12461/PKU.DXHX202403106
14. [14]
  .
  CCS Chemistry | 超分子活化底物为自由基促进高效选择性光催化氧化
  . CCS Chemistry, 2025, 7(10.31635/ccschem.025.202405229): -.
15. [15]
  Jie ZHAO , Sen LIU , Qikang YIN , Xiaoqing LU , Zhaojie WANG . Theoretical calculation of selective adsorption and separation of CO₂ by alkali metal modified naphthalene/naphthalenediyne. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 515-522. doi: 10.11862/CJIC.20230385
16. [16]
  Junjie Zhang , Yue Wang , Qiuhan Wu , Ruquan Shen , Han Liu , Xinhua Duan . Preparation and Selective Separation of Lightweight Magnetic Molecularly Imprinted Polymers for Trace Tetracycline Detection in Milk. University Chemistry, 2024, 39(5): 251-257. doi: 10.3866/PKU.DXHX202311084
17. [17]
  Jun LUO , Baoshu LIU , Yunchang ZHANG , Bingkai WANG , Beibei GUO , Lan SHE , Tianheng CHEN . Europium(Ⅲ) metal-organic framework as a fluorescent probe for selectively and sensitively sensing Pb²⁺ in aqueous solution. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2438-2444. doi: 10.11862/CJIC.20240240
18. [18]
  Peng YUE , Liyao SHI , Jinglei CUI , Huirong ZHANG , Yanxia GUO . Effects of Ce and Mn promoters on the selective oxidation of ammonia over V₂O₅/TiO₂ catalyst. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 293-307. doi: 10.11862/CJIC.20240210
19. [19]
  Baitong Wei , Jinxin Guo , Xigong Liu , Rongxiu Zhu , Lei Liu . Theoretical Study on the Structure, Stability of Hydrocarbon Free Radicals and Selectivity of Alkane Chlorination Reaction. University Chemistry, 2025, 40(3): 402-407. doi: 10.12461/PKU.DXHX202406003
20. [20]
  Yinuo Wang , Siran Wang , Yilong Zhao , Dazhen Xu . Selective Synthesis of Diarylmethyl Anilines and Triarylmethanes via Multicomponent Reactions: Introduce a Comprehensive Experiment of Organic Chemistry. University Chemistry, 2024, 39(8): 324-330. doi: 10.3866/PKU.DXHX202401063

Get Citation

PDF

XML

Metrics

PDF Downloads(23)
Abstract views(1285)
HTML views(190)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142