TY - JOUR
T1 - Multivariate calibration on heterogeneous samples
AU - Li, Bin
AU - Marx, Brian D.
AU - Chakraborty, Somsubhra
AU - Weindorf, David C.
N1 - Publisher Copyright:
© 2021 Elsevier B.V.
PY - 2021/10/15
Y1 - 2021/10/15
N2 - Data heterogeneity has become a challenging problem in modern data analysis. Classic statistical modeling methods, which assume the data are independent and identically distributed, often show unsatisfactory performance on heterogeneous data. This work is motivated by a multivariate calibration problem from a soil characterization study, where the samples were collected from five different locations. Newly proposed and existing signal regression models are applied to the multivariate calibration problem, where the models are adapted to handle such spatially clustered structure. When compared to a variety of other methods, e.g. kernel ridge regression, random forests, and partial least squares, we find that our newly proposed varying-coefficient signal regression model is highly competitive, often out-performing the other methods, in terms of external prediction error.
AB - Data heterogeneity has become a challenging problem in modern data analysis. Classic statistical modeling methods, which assume the data are independent and identically distributed, often show unsatisfactory performance on heterogeneous data. This work is motivated by a multivariate calibration problem from a soil characterization study, where the samples were collected from five different locations. Newly proposed and existing signal regression models are applied to the multivariate calibration problem, where the models are adapted to handle such spatially clustered structure. When compared to a variety of other methods, e.g. kernel ridge regression, random forests, and partial least squares, we find that our newly proposed varying-coefficient signal regression model is highly competitive, often out-performing the other methods, in terms of external prediction error.
KW - Multivariate calibration
KW - P-splines
KW - Signal regression
KW - Varying-coefficient model
UR - http://www.scopus.com/inward/record.url?scp=85111049295&partnerID=8YFLogxK
U2 - 10.1016/j.chemolab.2021.104386
DO - 10.1016/j.chemolab.2021.104386
M3 - Article
AN - SCOPUS:85111049295
SN - 0169-7439
VL - 217
JO - Chemometrics and Intelligent Laboratory Systems
JF - Chemometrics and Intelligent Laboratory Systems
M1 - 104386
ER -