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A comprehensive toolkit for cluster analysis with full pipeline support

Project description

ClusterTK

PyPI version Python 3.8+ Tests codecov License: MIT

A comprehensive Python toolkit for cluster analysis with full pipeline support.

ClusterTK provides a complete, sklearn-style pipeline for clustering: from raw data preprocessing to cluster interpretation and export. Perfect for data analysts who want powerful clustering without writing hundreds of lines of code.

Features

  • 🔄 Complete Pipeline - One-line solution from raw data to insights
  • 📊 Multiple Algorithms - K-Means, GMM, Hierarchical, DBSCAN, HDBSCAN
  • 🎯 Auto-Optimization - Automatic optimal cluster number selection
  • 🎨 Rich Visualization - Beautiful plots (optional dependency)
  • 📁 Export & Reports - CSV, JSON, HTML reports with embedded plots
  • 💾 Save/Load - Persist and reload fitted pipelines
  • 🔍 Interpretation - Profiling, naming, and feature importance analysis

Quick Start

Installation

# Core functionality
pip install clustertk

# With visualization
pip install clustertk[viz]

Basic Usage

import pandas as pd
from clustertk import ClusterAnalysisPipeline

# Load data
df = pd.read_csv('your_data.csv')

# Create and fit pipeline
pipeline = ClusterAnalysisPipeline(
    handle_missing='median',
    correlation_threshold=0.85,
    n_clusters=None,  # Auto-detect optimal number
    verbose=True
)

pipeline.fit(df, feature_columns=['feature1', 'feature2', 'feature3'])

# Get results
labels = pipeline.labels_
profiles = pipeline.cluster_profiles_
metrics = pipeline.metrics_

print(f"Found {pipeline.n_clusters_} clusters")
print(f"Silhouette score: {metrics['silhouette']:.3f}")

# Export
pipeline.export_results('results.csv')
pipeline.export_report('report.html')

# Visualize (requires clustertk[viz])
pipeline.plot_clusters_2d()
pipeline.plot_cluster_heatmap()

Documentation

Pipeline Workflow

Raw Data → Preprocessing → Feature Selection → Dimensionality Reduction
→ Clustering → Evaluation → Interpretation → Export

Each step is configurable through pipeline parameters or can be run independently.

Key Capabilities

Preprocessing

  • Missing value handling (median/mean/drop)
  • Outlier detection and treatment
  • Automatic scaling (robust/standard/minmax)
  • Skewness transformation

Clustering Algorithms

  • K-Means - Fast, spherical clusters
  • GMM - Probabilistic, elliptical clusters
  • Hierarchical - Dendrograms, hierarchical structure
  • DBSCAN - Density-based, arbitrary shapes
  • HDBSCAN - Advanced density-based, varying densities (v0.8.0+)

Evaluation & Interpretation

  • Silhouette score, Calinski-Harabasz, Davies-Bouldin metrics
  • Automatic optimal k selection
  • Cluster profiling and automatic naming
  • Feature importance analysis (v0.9.0+)
    • Permutation importance
    • Feature contribution (variance ratio)
    • SHAP values (optional)

Export & Reports

  • CSV export (data + labels)
  • JSON export (metadata + profiles)
  • HTML reports with embedded visualizations
  • Pipeline serialization (save/load)

Examples

Feature Importance Analysis

# Understand which features drive your clustering
results = pipeline.analyze_feature_importance(method='all')

# View permutation importance
print(results['permutation'].head())

# View feature contribution (variance ratio)
print(results['contribution'].head())

# Use top features for focused analysis
top_features = results['permutation'].head(5)['feature'].tolist()

Algorithm Comparison

# Compare multiple algorithms automatically
results = pipeline.compare_algorithms(
    X=df,
    feature_columns=['feature1', 'feature2', 'feature3'],
    algorithms=['kmeans', 'gmm', 'hierarchical', 'dbscan'],
    n_clusters_range=(2, 8)
)

print(results['comparison'])  # DataFrame with metrics
print(f"Best algorithm: {results['best_algorithm']}")

# Visualize comparison
pipeline.plot_algorithm_comparison(results)

Customer Segmentation

pipeline = ClusterAnalysisPipeline(
    n_clusters=None,  # Auto-detect
    auto_name_clusters=True
)

pipeline.fit(customers_df,
            feature_columns=['age', 'income', 'purchases'],
            category_mapping={
                'demographics': ['age', 'income'],
                'behavior': ['purchases']
            })

pipeline.export_report('customer_segments.html')

Anomaly Detection

pipeline = ClusterAnalysisPipeline(
    clustering_algorithm='dbscan'
)

pipeline.fit(transactions_df)
anomalies = transactions_df[pipeline.labels_ == -1]

More examples: docs/examples.md

Requirements

  • Python 3.8+
  • numpy >= 1.20.0
  • pandas >= 1.3.0
  • scikit-learn >= 1.0.0
  • scipy >= 1.7.0
  • joblib >= 1.0.0

Optional (for visualization):

  • matplotlib >= 3.4.0
  • seaborn >= 0.11.0

Contributing

Contributions are welcome! Please check:

License

MIT License - see LICENSE file for details.

Citation

If you use ClusterTK in your research, please cite:

@software{clustertk2024,
  author = {Veselov, Aleksey},
  title = {ClusterTK: A Comprehensive Python Toolkit for Cluster Analysis},
  year = {2024},
  url = {https://github.com/alexeiveselov92/clustertk}
}

Links


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