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Journal of Chemometrics
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Journal of Chemometrics
Article . 2018 . Peer-reviewed
License: Wiley Online Library User Agreement
Data sources: Crossref
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Sample and feature augmentation strategies for calibration updating

Authors: Erik Andries; John H. Kalivas; Anit Gurung;

Sample and feature augmentation strategies for calibration updating

Abstract

AbstractCalibration updating—transfer and/or maintenance—has historically been implemented using a simple but effective technique: in addition to primary samples, include a small number of secondary samples and weight them. It would be beneficial if these classical weighting techniques could be enhanced. Moreover, it would be ideal if we could only use secondary spectra without reference measurements. In this paper, we examine multiple calibration updating scenarios involving unlabeled and labeled secondary spectra. First, we propose three new updating approaches involving sample augmentation whereby unlabeled secondary spectra are used to construct an “undesirable” subspace. This subspace is then used to steer the model vector away from a spectroscopically undesirable solution. Second, we propose two new feature augmentation approaches using labeled secondary samples. These three approaches involves the sum of two model vectors, a dedicated primary model vector plus a perturbation vector, that can accommodate new secondary samples. We rigorously vet the proposed approaches across two near‐infrared (NIR) data sets and across multiple data splits. Out of all of the approaches examined, one feature augmentation approach provides improved results compared with existing approaches, and one sample augmentation approach utilizing only unlabeled secondary spectra appears promising.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
17
Top 10%
Average
Average
hybrid