partial-least-squares-regression

Fast CPU and GPU Python implementations of Improved Kernel Partial Least Squares (PLS) by Dayal and MacGregor (1997) and Fast Partition-Based Cross-Validation With Centering and Scaling for XTX and XTY by Engstrøm and Jensen (2025). This package also includes options to use sample weights for PLS modeling.

data-science algorithm linear-regression partial-least-squares-regression pls gpu-support partial-least-squares weighted-regression tpu-acceleration weighted-least-squares weighted-linear-regression plsda plsr

UpdatedJul 12, 2025
Python

sm00thix /cvmatrix

Star21

Computation of training set (X^T * W * X) and (X^T * W * Y) or (X^T * X) and (X^T * Y) in a cross-validation setting using the fast algorithms by Engstrøm and Jensen (2025).

fast algorithm linear-regression least-squares pca principal-component-analysis linear-models partial-least-squares-regression pls partial-least-squares weighted-regression weighted-least-squares weighted-linear-regression plsda plsr least-squares-regression

UpdatedAug 27, 2025
Python

nanxstats /enpls

Star18

Algorithmic framework for measuring feature importance, outlier detection, model applicability evaluation, and ensemble predictive modeling with (sparse) partial least squares regressions.

machine-learning dimensionality-reduction ensemble-learning outlier-detection chemometrics partial-least-squares-regression

UpdatedAug 21, 2025
R

JBris /multivariate_analysis_examples

Star18

Several examples of multivariate techniques implemented in R, Python, and SAS. Multivariate concrete dataset retrieved fromhttps://archive.ics.uci.edu/ml/datasets/Concrete+Slump+Test. Credit to Professor I-Cheng Yeh.

multivariate-distributions pca-analysis pca multivariate dimensionality-reduction concrete mds factor-analysis dimension-reduction multivariate-data multivariate-regression multivariate-analysis partial-least-squares-regression multivariate-statistics multivariate-linear-regression pls canonical-correlation-analysis nmds partial-least-squares redundancy-analysis

UpdatedNov 20, 2024
Python

gastonstat /plsdepot

Star10

R package plsdepot

r-package multivariate-analysis partial-least-squares-regression pls

UpdatedFeb 19, 2023
R

eupassarinho /soil-carbon-and-spectroscopy-with-PLS-and-LASSO

Star9

R scripts for predicting soil organic carbon using soil spectral library from visible, near-infrared and shortwave-infrared (VNIR) and middle-infrared (MIR) using LASSO and PLS regression methods and the target-oriented cross-validation strategy.

machine-learning cross-validation remote-sensing partial-least-squares-regression precision-agriculture soil-spectroscopy soil-science soil-organic-carbon least-absolute-selection-and-shrinkage-operator soil-horizons proximal-sensing diffuse-reflectance

UpdatedAug 20, 2023
R

nanxstats /OHPL

Star7

📈 Ordered Homogeneity Pursuit Lasso for Group Variable Selection

high-dimensional-data lasso variable-selection spectroscopy chemometrics partial-least-squares-regression homogeneity-pursuit

UpdatedJun 28, 2025
R

ChristianGoueguel /HotellingEllipse

Star7

The HotellingEllipse package helps draw the Hotelling's T-squared ellipse on a PCA or PLS score scatterplot by computing the Hotelling's T-squared statistic and providing the ellipse's coordinates, semi-minor, and semi-major axes lengths.

pca outliers rstats principal-component-analysis partial-least-squares-regression pls confidence-ellipse hotelling-t2 hotelling-s-t-square hotelling-ellipse multivariate-distribution hotellings-t2-distribution

UpdatedJan 4, 2025
R

AlexanderSouthan /pyDataFitting

Star6

Specialized linear, polynomial (including equality constraints on points and slopes), multivariate and nonlinear regression/curve fitting functions.

python machine-learning curve-fitting spectroscopy principal-component-analysis partial-least-squares-regression

UpdatedOct 29, 2025
Python

opsabarsec /African-soil-chemistry-fertility-correlation

Star4

Correlation for African Soil between chemistry and fertility data using Logistic Regression. Treatment of infrared (FTIR) spectra by machine learning.

chemistry convolutional-neural-networks partial-least-squares-regression agricultural-modelling ftir-data-analysis

UpdatedMar 4, 2021
Jupyter Notebook

Aariq /PCA-vs-PLS

Star3

Research compendium for "Using the right tool for the job: understanding the difference between unsupervised and supervised analyses of multivariate ecological data."

pca-analysis pca principal-component-analysis multivariate-data multivariate-regression multivariate-analysis partial-least-squares-regression multivariate-statistics principal-components-regression pls-da plsr-model

UpdatedMar 2, 2021
R

adelenelai /statmodels

Star2

r statistics linear-regression cross-validation histograms partial-least-squares-regression marginal-distribution

UpdatedOct 12, 2018
R

SCnext /SCGLR

Star2

An extension of the Fisher Scoring Algorithm to combine PLS regression with GLM estimation in the multivariate context. Covariates can be grouped in themes.

package r partial-least-squares-regression