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scikit-clarans

Scikit-learn compatible implementation of CLARANS and FastCLARANS for $k$-medoids clustering.

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scikit-clarans implements $k$-medoids clustering in Python using the scikit-learn estimator interface. While $k$-means calculates artificial cluster centroids, $k$-medoids picks actual data points from the dataset as cluster centers.

Why use k-medoids?

  • Outlier resistance: Medoids minimize absolute distances ($\sum d$) rather than squared Euclidean distances ($\sum d^2$), keeping centers stable when the dataset contains extreme values.
  • Custom distance metrics: Supports metrics such as Manhattan, cosine, or precomputed distances, whereas standard $k$-means requires Euclidean space.
  • Direct interpretability: Every cluster center corresponds to a real record in the input data.

Choosing between CLARANS and FastCLARANS

  • FastCLARANS: Evaluates swaps across all $k$ medoids in a single pass using FastPAM1 delta calculations (Schubert & Rousseeuw, 2021). It uses $O(n)$ memory and is faster for most workloads.
  • CLARANS: The classic randomized search algorithm from Ng & Han (2002). It supports delta cost evaluations with cached distances as well as brute-force recalculation.

Features

  • Scikit-learn compatibility: Extends BaseEstimator and ClusterMixin for use in Pipeline, GridSearchCV, and model evaluation workflows.
  • C acceleration: Core delta computations run in Cython with a pure Python and NumPy fallback.
  • Distance routing: Automatically routes distance calculations to SciPy cdist for dense arrays, scikit-learn DistanceMetric for sparse matrices, or pairwise_distances.
  • Low memory overhead: Computes distances as needed with $O(n)$ working memory instead of storing a full $O(n^2)$ matrix.
  • Initialization options: Supports k-medoids++, build, heuristic, uniform random sampling, or user-supplied medoid indices.

Installation

Install from PyPI:

pip install scikit-clarans

Install from source:

git clone https://github.com/ThienNguyen3001/scikit-clarans.git
cd scikit-clarans
pip install .

For development:

pip install -e ".[dev]"

Quick Start

CLARANS

from clarans import CLARANS
from sklearn.datasets import make_blobs

# 1. Create dummy data
X, _ = make_blobs(n_samples=1000, centers=5, random_state=42)

# 2. Initialize CLARANS
clarans = CLARANS(n_clusters=5, num_local=3, init='k-medoids++', cost_evaluation='delta', random_state=42)

# 3. Fit
clarans.fit(X)

# 4. Results
print("Medoid Indices:", clarans.medoid_indices_)
print("Labels:", clarans.labels_)

FastCLARANS

FastCLARANS evaluates swaps across all $k$ medoids simultaneously using the FastPAM1 formulation from Schubert & Rousseeuw (2021):

from clarans import FastCLARANS

fast_model = FastCLARANS(n_clusters=5, num_local=3, random_state=42)
fast_model.fit(X)

Differences from CLARANS:

  • Samples non-medoid candidates instead of medoid-candidate pairs.
  • Evaluates swaps against all $k$ medoids in a single pass ($O(k)$ fewer distance queries).
  • Operates in $O(n)$ memory instead of $O(n^2)$.

Examples

Runnable scripts are located in the examples/ directory:

python examples/plot_quick_start.py

Documentation

Full API documentation and guides are available at https://scikit-clarans.readthedocs.io.

Contributing

Contributions and bug reports are welcome. See CONTRIBUTING.md for development setup and testing instructions.

Citation

If you use scikit-clarans in your research or software, please cite:

@software{scikit_clarans,
  author       = {Nguyen, Ngoc Thien},
  title        = {scikit-clarans: A Python Library for CLARANS Clustering},
  year         = {2026},
  publisher    = {Zenodo},
  doi          = {10.5281/zenodo.18366801},
  url          = {https://github.com/ThienNguyen3001/scikit-clarans}
}

Academic References

The core algorithms implemented in this package originate from:

  • CLARANS:

    Ng, R. T., & Han, J. (2002). CLARANS: A method for clustering objects for spatial data mining. IEEE Transactions on Knowledge and Data Engineering, 14(5), 1003-1016. doi:10.1109/TKDE.2002.1033770

  • FastCLARANS & FastPAM1:

    Schubert, E., & Rousseeuw, P. J. (2021). Fast and eager k-medoids clustering: O(k) runtime improvement of the PAM, CLARA, and CLARANS algorithms. Information Systems, 101, 101804. doi:10.1016/j.is.2021.101804

  • Seeding & Initialization:

    Initialization strategies (k-medoids++, heuristic, build) are adapted from the scikit-learn-extra KMedoids implementation.

License

This project is licensed under the MIT License. See LICENSE for details.

Metadata

Release files for scikit-clarans 0.3.2

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Release history Release notifications | RSS feed

0.3.4

26 release files

This release

0.3.2 This release

26 release files

0.3.1

26 release files

0.3.0

26 release files

0.2.2

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0.2.1

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0.2.0

2 release files

0.1.3

2 release files

0.1.2

2 release files

0.1.1

2 release files

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