Multiblock PLS

Multiblock PLS: Block dependent prediction modeling for Python - Published in JOSS (2019)

https://github.com/dtucomputestatisticsanddataanalysis/mbpls

Science Score: 98.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
    Found .zenodo.json file
  • DOI references
    Found 4 DOI reference(s) in README and JOSS metadata
  • Academic publication links
    Links to: joss.theoj.org
  • Committers with academic emails
    1 of 3 committers (33.3%) from academic institutions
  • Institutional organization owner
    Organization dtucomputestatisticsanddataanalysis has institutional domain (www.compute.dtu.dk)
  • JOSS paper metadata
    Published in Journal of Open Source Software

Keywords

bioinformatics chemometrics data-fusion data-integration data-science machine-learning metabolomics multivariate-analysis multivariate-statistics pattern-recognition subspace-learning supervised-learning

Scientific Fields

Engineering Computer Science - 60% confidence
Last synced: 6 months ago · JSON representation

Repository

(Multiblock) Partial Least Squares Regression for Python

Basic Info
  • Host: GitHub
  • Owner: DTUComputeStatisticsAndDataAnalysis
  • License: bsd-3-clause
  • Language: Python
  • Default Branch: master
  • Homepage: https://mbpls.readthedocs.io
  • Size: 16.6 MB
Statistics
  • Stars: 31
  • Watchers: 1
  • Forks: 7
  • Open Issues: 2
  • Releases: 4
Topics
bioinformatics chemometrics data-fusion data-integration data-science machine-learning metabolomics multivariate-analysis multivariate-statistics pattern-recognition subspace-learning supervised-learning
Created about 8 years ago · Last pushed about 6 years ago
Metadata Files
Readme Contributing License Code of conduct

README.rst

Multiblock Partial Least Squares Package
========================================

.. image:: https://img.shields.io/pypi/v/mbpls.svg
    :target: https://pypi.python.org/pypi/mbpls
    :alt: Pypi Version
.. image:: https://travis-ci.com/DTUComputeStatisticsAndDataAnalysis/MBPLS.svg?branch=master
   :target: https://travis-ci.com/DTUComputeStatisticsAndDataAnalysis/MBPLS
   :alt: Build Status
.. image:: https://img.shields.io/pypi/l/mbpls.svg
    :target: https://pypi.python.org/pypi/mbpls/
    :alt: License
.. image:: https://readthedocs.org/projects/mbpls/badge/?version=latest
    :target: https://mbpls.readthedocs.io/en/latest/?badge=latest
    :alt: Documentation Status
.. image:: http://joss.theoj.org/papers/10.21105/joss.01190/status.svg
   :target: https://doi.org/10.21105/joss.01190
   :alt: JOSS Paper DOI

An easy to use Python package for (Multiblock) Partial Least Squares
prediction modelling of univariate or multivariate outcomes. Four state
of the art algorithms have been implemented and optimized for robust
performance on large data matrices. The package has been designed to be
able to handle missing data, such that application is straight forward
using the commonly known Scikit-learn API and its model selection
toolbox.

The documentation is available at https://mbpls.readthedocs.io
and elaborate (real-world) Jupyter Notebook examples can be found at
https://github.com/DTUComputeStatisticsAndDataAnalysis/MBPLS/tree/master/examples

This package can be cited using the following reference. 

*Baum et al., (2019). Multiblock PLS: Block dependent prediction modeling for Python. Journal of Open Source Software, 4(34), 1190*



Installation
------------

-  | Install the package for Python3 using the following command. Some
     dependencies might require an upgrade (scikit-learn, numpy and
     scipy).
   | ``$ pip install mbpls``

-  | Now you can import the MBPLS class by typing
   | ``from mbpls.mbpls import MBPLS``

Quick Start
-----------

Use the mbpls package for Partial Least Squares (PLS) prediction modeling
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code:: python

   import numpy as np
   from mbpls.mbpls import MBPLS

   num_samples = 40
   num_features = 200

   # Generate random data matrix X
   x = np.random.rand(num_samples, num_features)

   # Generate random reference vector y
   y = np.random.rand(num_samples,1)

   # Establish prediction model using 2 latent variables (components)
   pls = MBPLS(n_components=2)
   pls.fit(x,y)
   y_pred = pls.predict(x)

The mbpls package for Multiblock Partial Least Squares (MB-PLS) prediction modeling
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code:: python

   import numpy as np
   from mbpls.mbpls import MBPLS

   num_samples = 40
   num_features_x1 = 200
   num_features_x2 = 250

   # Generate two random data matrices X1 and X2 (two blocks)
   x1 = np.random.rand(num_samples, num_features_x1)
   x2 = np.random.rand(num_samples, num_features_x2)

   # Generate random reference vector y
   y = np.random.rand(num_samples, 1)

   # Establish prediction model using 3 latent variables (components)
   mbpls = MBPLS(n_components=3)
   mbpls.fit([x1, x2],y)
   y_pred = mbpls.predict([x1, x2])

   # Use built-in plot method for exploratory analysis of multiblock pls models
   mbpls.plot(num_components=3)

Owner

  • Name: DTU Compute Statistics and Data Analysis
  • Login: DTUComputeStatisticsAndDataAnalysis
  • Kind: organization

JOSS Publication

Multiblock PLS: Block dependent prediction modeling for Python
Published
February 10, 2019
Volume 4, Issue 34, Page 1190
Authors
Andreas Baum ORCID
Department of Applied Mathematics and Computer Science, Technical University of Denmark, Richard Petersens Plads 324, DK-2800 Kgs. Lyngby, Denmark
Laurent Vermue ORCID
Department of Applied Mathematics and Computer Science, Technical University of Denmark, Richard Petersens Plads 324, DK-2800 Kgs. Lyngby, Denmark
Editor
Roman Valls Guimera ORCID
Tags
multivariate statistics data fusion latent variables exploratory analysis data integration MB-PLS

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Packages

  • Total packages: 1
  • Total downloads:
    • pypi 290 last-month
  • Total dependent packages: 2
  • Total dependent repositories: 2
  • Total versions: 15
  • Total maintainers: 2
pypi.org: mbpls

An implementation of the most common partial least squares algorithms as multi-block methods

  • Versions: 15
  • Dependent Packages: 2
  • Dependent Repositories: 2
  • Downloads: 290 Last month
Rankings
Dependent packages count: 3.2%
Average: 11.4%
Dependent repos count: 11.5%
Stargazers count: 12.5%
Forks count: 12.6%
Downloads: 17.3%
Maintainers (2)
Last synced: 6 months ago

Dependencies

requirements.txt pypi
  • numpy >=1.13.3
  • pandas >=0.20.0
  • scikit-learn >=0.20.0
  • scipy >=1.0.0
setup.py pypi
  • numpy >=
  • pandas >=
  • scikit-learn >=
  • scipy >=