Cui, C;
Fearn, T;
(2018)
Modern practical convolutional neural networks for multivariate regression: Applications to NIR calibration.
Chemometrics and Intelligent Laboratory Systems
, 182
pp. 9-20.
10.1016/j.chemolab.2018.07.008.
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Abstract
In this study, we investigate the use of convolutional neural networks (CNN) for near infrared (NIR) calibration. We propose a unified CNN structure that can be used for general multivariate regression purpose. The comparison between the CNN method and the partial least squares regression (PLSR) method was done on three different NIR datasets of spectra and lab reference values. Datasets are from different sources and contain 6998, 1000 and 415 training and 618, 597 and 108 validation samples, respectively. Results indicated that compared to the PLSR models, the CNN models are more accurate and less noisy. The convolutional layer in the CNN model can automatically find the suitable spectral preprocessing filter on the dataset, which significantly saves efforts in training the model.
Type: | Article |
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Title: | Modern practical convolutional neural networks for multivariate regression: Applications to NIR calibration |
Open access status: | An open access version is available from UCL Discovery |
DOI: | 10.1016/j.chemolab.2018.07.008 |
Publisher version: | https://doi.org/10.1016/j.chemolab.2018.07.008 |
Language: | English |
Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
Keywords: | Near-infrared spectroscopy, Multivariate regression, Partial least squares regression, Convolutional neural networks, Automatic spectral preprocessing |
UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Statistical Science |
URI: | https://discovery.ucl.ac.uk/id/eprint/10053349 |
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