Feed-forward artificial neural networks: Applications to spectroscopy

被引：63
作者：
Cirovic, DA
机构：
[1] Chemometrics Grp. the Sch. of Chem., University of Bristol, Bristol BS8 1TS, Cantock's Close
来源：
TRAC-TRENDS IN ANALYTICAL CHEMISTRY | 1997年 / 16卷 / 03期
关键词：
D O I：
10.1016/S0165-9936(97)00007-1
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
Applications of multi-layer feed-forward artificial neural networks (ANN) to spectroscopy are reviewed. Network architecture and training algorithms are discussed. Backpropagation, the most commonly used training algorithm, is analyzed in greater detail. The following types of applications are considered: data reduction by means of neural networks, pattern recognition, multivariate regression, robust regression, and handling of instrumental drifts.
引用
收藏
页码：148 / 155
页数：8
相关论文
共 36 条
[11]   AN EXAMPLE OF 2-BLOCK PREDICTIVE PARTIAL LEAST-SQUARES REGRESSION WITH SIMULATED DATA [J].
GELADI, P ;
KOWALSKI, BR .
ANALYTICA CHIMICA ACTA, 1986, 185 :19-32
[12]   NONLINEAR MULTIVARIATE CALIBRATION USING PRINCIPAL COMPONENTS REGRESSION AND ARTIFICIAL NEURAL NETWORKS [J].
GEMPERLINE, PJ ;
LONG, JR ;
GREGORIOU, VG .
ANALYTICAL CHEMISTRY, 1991, 63 (20) :2313-2323
[13]   Correction of mass spectral drift using artificial neural networks [J].
Goodacre, R ;
Kell, DB .
ANALYTICAL CHEMISTRY, 1996, 68 (02) :271-280
[14]   RAPID AND QUANTITATIVE-ANALYSIS OF THE PYROLYSIS MASS-SPECTRA OF COMPLEX BINARY AND TERTIARY MIXTURES USING MULTIVARIATE CALIBRATION AND ARTIFICIAL NEURAL NETWORKS [J].
GOODACRE, R ;
NEAL, MJ ;
KELL, DB .
ANALYTICAL CHEMISTRY, 1994, 66 (07) :1070-1085
[15]  
HENSELEER J, 1995, LECT NOTES COMPUTER, V931, P37
[16]   NEURAL NETWORKS - AN OVERVIEW [J].
JANSSON, PA .
ANALYTICAL CHEMISTRY, 1991, 63 (06) :A357-A362
[17]   Robust methods for multivariate analysis - A tutorial review [J].
Liang, YZ ;
Kvalheim, OM .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1996, 32 (01) :1-10
[18]   SPECTROSCOPIC CALIBRATION AND QUANTITATION USING ARTIFICIAL NEURAL NETWORKS [J].
LONG, JR ;
GREGORIOU, VG ;
GEMPERLINE, PJ .
ANALYTICAL CHEMISTRY, 1990, 62 (17) :1791-1797
[19]  
Malinowski E.R., 1991, FACTOR ANAL CHEM
[20]  
Massart D.L., 1988, CHEMOMETRICS TXB
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