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IKPLS

On the record

Algorithms
It implements Improved Kernel PLS Algorithms 1 and 2 for CPU, GPU, and TPU use.ikpls.readthedocs.io · read 12 Oct 2026
Audience
The project describes its intended users as researchers and practitioners doing PLS modeling.ikpls.readthedocs.io · read 12 Oct 2026
Compute
Its NumPy implementations run on CPUs, and its JAX implementations support CPUs, GPUs, and TPUs.ikpls.readthedocs.io · read 12 Oct 2026
Deployment
desktopikpls.readthedocs.io · read 23 Sep 2026
Differentiability
The JAX implementations are end-to-end differentiable, allowing gradient propagation when PLS is used as a layer in a deep learning model.ikpls.readthedocs.io · read 12 Oct 2026
Documentation and examples
The project provides online documentation and examples covering fitting, prediction, and cross-validation with NumPy, JAX, and scikit-learn.ikpls.readthedocs.io · read 12 Oct 2026
Fast cross-validation
The package includes a fast cross-validation algorithm described as mathematically equivalent to classical cross-validation and quicker to run.ikpls.readthedocs.io · read 12 Oct 2026
Installation
The package installs with pip using `pip3 install ikpls`; JAX implementations require the optional `jax` extra.ikpls.readthedocs.io · read 12 Oct 2026
Installation requirement
PyPI lists the requirement as Python >=3.10 and <3.15.pypi.org · read 12 Oct 2026
JAX
Optional JAX implementations run on CPU, GPU, and TPU and support end-to-end differentiation.ikpls.readthedocs.io · read 12 Oct 2026
License
PyPI lists the package under the Apache-2.0 license.pypi.org · read 12 Oct 2026
NumPy and scikit-learn
The NumPy CPU implementation includes a scikit-learn-conformant PLS wrapper that works with scikit-learn pipelines and cross-validation.ikpls.readthedocs.io · read 12 Oct 2026
Preprocessing
Fast cross-validation handles column-wise centering and scaling using training-set statistics to avoid validation-set data leakage, as well as sample-wise preprocessing such as convolution.ikpls.readthedocs.io · read 12 Oct 2026
Purpose
IKPLS is a Python package for fast partial least squares modeling, aimed at researchers and practitioners, particularly those working with large datasets.ikpls.readthedocs.io · read 12 Oct 2026
Regression models
Yesikpls.readthedocs.io · read 23 Sep 2026
Sample weights
The NumPy and JAX implementations support sample-weighted PLS modeling.ikpls.readthedocs.io · read 12 Oct 2026
scikit-learn integration
The scikit-learn-conformant PLS wrapper can be used with scikit-learn pipelines and cross-validation tools.ikpls.readthedocs.io · read 12 Oct 2026
Scripting support
Yesikpls.readthedocs.io · read 23 Sep 2026

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