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research article

On multivariate calibration with unlabeled data

Gujral, Paman
•
Amrhein, Michael  
•
Ergon, Rolf
Show more
2011
Journal of Chemometrics

In principal component regression (PCR) and partial least-squares regression (PLSR), the use of unlabeled data, in addition to labeled data, helps stabilize the latent subspaces in the calibration step, typically leading to a lower prediction error. A non-sequential approach based on optimal filtering (OF) has been proposed in the literature to use unlabeled data with PLSR. In this work, a sequential version of the OF-based PLSR and a PCA-based PLSR (PLSR applied to PCA-preprocessed data) are proposed. It is shown analytically that the sequential version of the OF-based PLSR is equivalent to PCA-based PLSR, which leads to a new interpretation of OF. Simulated and experimental data sets are used to point out the usefulness and pitfalls of using unlabeled data. Unlabeled data can replace labeled data to some extent, thereby leading to an economic benefit. However, in the presence of drift, the use of unlabeled data can result in an increase in prediction error compared to that obtained with a model based on labeled data alone.

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Type
research article
DOI
10.1002/cem.1389
Web of Science ID

WOS:000294269200005

Author(s)
Gujral, Paman
Amrhein, Michael  
Ergon, Rolf
Wise, Barry
Bonvin, Dominique  
Date Issued

2011

Publisher

Wiley-Blackwell

Published in
Journal of Chemometrics
Volume

25

Issue

8

Start page

456

End page

465

Subjects

multivariate calibration

•

semi-supervised learning

•

unlabeled data

•

optimal filtering

•

drift

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LA  
Available on Infoscience
December 24, 2010
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/62513
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