Recent trends in multi-block data analysis in chemometrics for multi- source data integration

被引:115
作者
Mishra, Puneet [1 ,2 ,3 ]
Roger, Jean-Michel [4 ,5 ]
Jouan-Rimbaud-Bouveresse, Delphine [6 ]
Biancolillo, Alessandra [7 ]
Marini, Federico [8 ]
Nordon, Alison [2 ,3 ]
Rutledge, Douglas N. [9 ,10 ]
机构
[1] Wageningen Univ & Res, Food & Biobased Res, Bornse Weilanden 9, NL-6708 WG Wageningen, Netherlands
[2] Univ Strathclyde, Dept Pure & Appl Chem, WestCHEM, Glasgow G1 1XL, Lanark, Scotland
[3] Univ Strathclyde, Ctr Proc Analyt & Control Technol, Glasgow G1 1XL, Lanark, Scotland
[4] Univ Montpellier, Inst Agro, INRAE Montpellier, ITAP, Montpellier, France
[5] ChemHouse Res Grp, Montpellier, France
[6] Univ Paris Saclay, INRAE, AgroParisTech, UMR PNCA, F-75005 Paris, France
[7] Univ Aquila, Dept Phys & Chem Sci, I-67100 Laquila, Italy
[8] Univ Roma La Sapienza, Dept Chem, Ple Aldo Moro 5, I-00185 Rome, Italy
[9] Univ Paris Saclay, INRAE, AgroParisTech, UMR SayFood, F-75005 Paris, France
[10] Charles Sturt Univ, Natl Wine & Grape Ind Ctr, Wagga Wagga, NSW, Australia
关键词
Pre-processing fusion; Incremental learning; Data fusion; Chemometrics; Orthogonalization; CO-INERTIA ANALYSIS; DATA-FUSION; VARIABLE SELECTION; COMPONENT ANALYSIS; SO-PLS; COMMON; REGRESSION; EXTENSION; INFORMATION; FRAMEWORK;
D O I
10.1016/j.trac.2021.116206
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
In recent years, multi-modal measurements of process and product properties have become widely popular. Sometimes classical chemometric methods such as principal component analysis (PCA) and partial least squares regression (PLS) are not adequate to analyze this kind of data. In recent years, several multi-block methods have emerged for this purpose; however, their use is largely limited to chemometricians, and non-experts have little experience with such methods. In order to deal with this, the present review provides a brief overview of the multi-block data analysis concept, the various tasks that can be performed with it and the advantages and disadvantages of different techniques. Moreover, basic tasks ranging from multi-block data visualization to advanced innovative applications such as calibration transfer will be briefly highlighted. Finally, a summary of software resources available for multi-block data analysis is provided. (c) 2021 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
引用
收藏
页数:15
相关论文
共 75 条
  • [31] OnPLS-a novel multiblock method for the modelling of predictive and orthogonal variation
    Lofstedt, Tommy
    Trygg, Johan
    [J]. JOURNAL OF CHEMOMETRICS, 2011, 25 (08) : 441 - 455
  • [32] Measurement of optical properties of fruits and vegetables: A review
    Lu, Renfu
    Van Beers, Robbe
    Saeys, Wouter
    Li, Changying
    Cen, Haiyan
    [J]. POSTHARVEST BIOLOGY AND TECHNOLOGY, 2020, 159
  • [33] Performance of methods that separate common and distinct variation in multiple data blocks
    Mage, Ingrid
    Smilde, Age K.
    van der Kloet, Frans M.
    [J]. JOURNAL OF CHEMOMETRICS, 2019, 33 (01)
  • [34] Preference mapping by PO-PLS: Separating common and unique information in several data blocks
    Mage, Ingrid
    Menichelli, Elena
    Naes, Tormod
    [J]. FOOD QUALITY AND PREFERENCE, 2012, 24 (01) : 8 - 16
  • [35] Comparison of variable selection methods in partial least squares regression
    Mehmood, Tahir
    Saebo, Solve
    Liland, Kristian Hovde
    [J]. JOURNAL OF CHEMOMETRICS, 2020, 34 (06)
  • [36] A review of variable selection methods in Partial Least Squares Regression
    Mehmood, Tahir
    Liland, Kristian Hovde
    Snipen, Lars
    Saebo, Solve
    [J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2012, 118 : 62 - 69
  • [37] Mishra P., 2020, CHEMOMET INTELL LAB
  • [38] Improved prediction of tablet properties with near-infrared spectroscopy by a fusion of scatter correction techniques
    Mishra, Puneet
    Nordon, Alison
    Roger, Jean-Michel
    [J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2021, 192
  • [39] Improved prediction of fuel properties with near-infrared spectroscopy using a complementary sequential fusion of scatter correction techniques
    Mishra, Puneet
    Marini, Federico
    Biancolillo, Alessandra
    Roger, Jean-Michel
    [J]. TALANTA, 2021, 223
  • [40] Sequential fusion of information from two portable spectrometers for improved prediction of moisture and soluble solids content in pear fruit
    Mishra, Puneet
    Marini, Federico
    Brouwer, Bastiaan
    Roger, Jean Michel
    Biancolillo, Alessandra
    Woltering, Ernst
    Hogeveen-van Echtelt, Esther
    [J]. TALANTA, 2021, 223