ccPCA: contrasting clusters in PCA - C++ Library and Python Module

New

• Supported installation using virtual environments (due to the use of venv became a default from Python3.12) (2024-04-14).
• Now, all Mac OS, Linux, Windows are supported (2022-04-27).

About

• ccPCA and feature contribution visualization from: Supporting Analysis of Dimensionality Reduction Results with Contrastive Learning. Takanori Fujiwara, Oh-Hyun Kwon, and Kwan-Liu Ma. IEEE Transactions on Visualization and Computer Graphics and IEEE VIS 2020 (VAST 2019). DOI: 10.1109/TVCG.2019.2934251

• Demonstration of a system using ccPCA: http://kwonoh.net/ccpca/

• Features

  • Fast C++ implementation with Eigen3 of Contrastive PCA (cPCA) from [Abid and Zhang et al., 2018].
    

    • A. Abid, M. J. Zhang, V. K. Bagaria, and J. Zou. Exploring patterns enriched in a dataset with contrastive principal component analysis, Nature Communicationsvolume,Vol. 9, No. 1, pp. 2134, 2018.
    • https://github.com/abidlabs/contrastive

  • Also, full automatic selection of contrastive parameter alpha from [Fujiwara et al., 2022].

    • T. Fujiwara, J. Zhao, F. Chen, Y. Xu, and K.-L. Ma. Network Comparison with Interpretable Contrastive Network Representation Learning, Journal of Data Science, Statistics, and Visualisation, 2022.

  • An extended version of cPCA (ccPCA) for contrasting clusters.

  • Algorithms for generating an effective, scalable feature contribution visualization, including optimal sign flipping of (c)PCA, matrix reordering, and aggregation.

• Use case examples

  • Analysis of dimensionality reduction results (compare some points with others)
  • Analysis of clustering results (compare some cluster with others)
  • Analysis of labeled data (compare some label with others)

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Requirements

• All major OSs are supported (macOS, Linux, Windows)

• C++11 compiler, Python3, Eigen3, Pybind11, Numpy

• Note: Tested on macOS Sonoma, Ubuntu 22.0.4 LTS, Windows 10. Currently, usage in Google Colab is not supported. (This is because when using ccpca via Python, ccpca needs to import shared libraries produced by Pybind11 ('cpca_cpp.so' and 'ccpca_cpp.so'). I will appreciate if somebody can help solve this problem.)

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Setup

Mac OS with Homebrew

1) Installation of ccPCA

• Make sure if you have C++ compiler. For example,

  which c++

  should return the c++ compiler path (e.g., /usr/bin/c++) if it exists. If it does not exist, run:

  xcode-select --install

• Move to "ccpca/ccpca" directory

• Run presetup.py

  python3 presetup.py

  • Note (2024-04-14): For installation using virtualenv, proccesses listed in "presetup.py" are separated from "setup.py". This is due to venv's bug (module involved commands do not work correctly when using pip3 under venv).
  • This python script generates C++ shared library of inc-pca also installs homebrew, pkg-config, python3, eigen, pybind11 if they do not exist.

• Install the modules with pip3 (this installs numpy if it does not exist).

  pip3 install .

• You can test with sample.py

  pip3 install matplotlib scikit-learn

  python3 sample.py

2) Installation of fc-view

• If you want to use the algorithms for scalable visualization of features' contributions, please follow the next steps.

• Move to "ccpca/fc_view" directory

• Install the modules with pip3

  pip3 install .

Linux (tested on Ubuntu 22.0.4 LTS)

1) Installation of ccPCA

• Install libraries

  sudo apt update

  sudo apt install libeigen3-dev python3-pip python3-dev

  • Note: Replace apt commands based on your Linux OS.

• Move to "ccpca/ccpca" directory

• Install the modules with pip3.

  python3 presetup.py

  pip3 install .

  • Note: If installation does not work, check setup.py and replace c++ commands based on your environment.

• You can test with sample.py

  pip3 install matplotlib scikit-learn

  python3 sample.py

2) Installation of fc-view

• If you want to use the algorithms for scalable visualization of features' contributions, please follow the next steps.

• Move to "ccpca/fc_view" directory

• Install the modules with pip3

  pip3 install .

Windows (tested on Windows 10, requiring MSVC as a C++ compiler)

1) Installation of ccPCA

• Install required compiler and library

  • Install MSVC (Microsoft C++): For example, you can download from https://visualstudio.microsoft.com/downloads/?q=build+tools (note: other compilers are not supported, e.g., MinGW)

  • Install Python3 (https://www.python.org/downloads/windows/)

• Move to "ccpca/ccpca" directory

• Install the modules with pip3 in "Command Prompt for VS". Note: if you installed 64-bit Python3, use x64 Native Command Prompt for VS.

  python3 presetup.py

  pip3 install .

• You can test with sample.py

  pip3 install matplotlib scikit-learn

  python sample.py

2) Installation of fc-view

• If you want to use the algorithms for scalable visualization of features' contributions, please follow the next steps.

• Move to "ccpca/fc_view" directory

• Install the modules with pip3

  pip3 install .

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Usage

• With Python3

  • Import installed modules from python (e.g., from ccpca import CCPCA). See sample.ipynb for examples.

• With C++

  • Include header files (e.g., ccpca.hpp) in C++ code with cpp files (e.g., ccpca.cpp).

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How to Cite

Please, cite:
Takanori Fujiwara, Oh-Hyun Kwon, and Kwan-Liu Ma, "Supporting Analysis of Dimensionality Reduction Results with Contrastive Learning". IEEE Transactions on Visualization and Computer Graphics, 2020. DOI: 10.1109/TVCG.2019.2934251

If you use cPCA with automatic selection of contrastive parameter alpha, please cite: Takanori Fujiwara, Jian Zhao, Francine Chen, Yaoliang Xu, and Kwan-Liu Ma, "Network Comparison with Interpretable Contrastive Network Representation Learning". Journal of Data Science, Statistics, and Visualisation, 2022. DOI: 10.52933/jdssv.v2i5.56