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Spectral Bridges clustering algorithm

Project description

📊 Spectral Bridges

codecov

sbcluster is a Python package that implements a novel clustering algorithm combining k-means and spectral clustering techniques, called Spectral Bridges. It leverages efficient affinity matrix computation and merges clusters based on a connectivity measure inspired by SVM's margin concept. This package is designed to provide robust clustering solutions, particularly suited for large datasets.


✨ Features

  • Spectral Bridges Clustering Algorithm: Integrates k-means and spectral clustering with efficient affinity matrix calculation for improved clustering results.
  • Scalability: Designed to handle large datasets by optimizing cluster formation through advanced affinity matrix computations.
  • Customizable: Parameters such as number of clusters, iterations, and random state allow flexibility in clustering configurations.
  • Model selection: Automatic model selection for number of nodes (m) according to a normalized eigengap metric.
  • scikit-learn integration: Native BaseEstimator integration with fit, predict, fit_predict, get_params, and model-selection scorers.

⚡ Speed

Spectral Bridges utilizes fastkmeanspp's efficient implementation for KMeans, which makes it remarkably fast even with large scale datasets.


🚀 Installation

pip install sbcluster

🔧 Usage

Example

from time import time

import matplotlib.pyplot as plt
import numpy as np
from sbcluster import SpectralBridges, ngap_scorer
from sklearn.cluster import SpectralClustering
from sklearn.metrics import adjusted_rand_score
from sklearn.model_selection import GridSearchCV

# Load some synthetic data
data = np.genfromtxt("data/impossible.csv", delimiter=",")
X, y = data[:, :-1], data[:, -1]

# Define the parameter grid
param_grid = {"n_clusters": [2, 3, 4, 5, 6, 7, 8, 9, 10]}
cv = [(np.arange(X.shape[0]), np.arange(X.shape[0]))] * 5

# Perform grid search for optimal parameters
grid_search = GridSearchCV(
    estimator=SpectralBridges(n_clusters=2, n_nodes=250),
    param_grid=param_grid,
    scoring=ngap_scorer,
    cv=cv,
    verbose=1,
)

# Fit the grid search
grid_search.fit(X)

# Print the results
print(grid_search.cv_results_["mean_test_score"])
print(grid_search.best_params_)

# Make predictions with the best model
guess = grid_search.best_estimator_.predict(X)
ari = adjusted_rand_score(y, guess)

# Print the ARI
print(f"Adjusted Rand Index: {ari}")

# Visualize the clustering results
plt.scatter(X[:, 0], X[:, 1], c=guess, alpha=0.1)
plt.scatter(
    grid_search.best_estimator_.subcluster_centers_[:, 0],
    grid_search.best_estimator_.subcluster_centers_[:, 1],
    c=grid_search.best_estimator_.subcluster_labels_,
    marker="X",
)
plt.title("Clustered data and centroids with best SpectralBridges fit")
plt.show()

# Compare with sklearn's SpectralClustering
sc_low = SpectralClustering(n_clusters=7).fit(X)

plt.scatter(X[:, 0], X[:, 1], c=sc_low.labels_)
plt.title("Spectral Clustering of the original dataset, gamma=1.0")
plt.show()

sc_high = SpectralClustering(n_clusters=7, gamma=5).fit(X)

plt.scatter(X[:, 0], X[:, 1], c=sc_high.labels_)
plt.title("Spectral Clustering of the original dataset, gmma=5.0")
plt.show()

# Comapre times
start = time()
grid_search.best_estimator_.fit(X)
end = time()
print("SpectralBridges fit time:", end - start)

start = time()
sc_low.fit(X)
end = time()
print("SpectralClustering fit time:", end - start)

At prediction time, SpectralBridges first assigns each sample to the nearest learned subcluster center, then maps that subcluster to its final spectral cluster label.

Results Comparison

Spectral Bridges result Spectral Clustering result Spectral Clustering result


📖 Learn More

For tutorials, API reference, visit the official site:
👉 sbcluster's documentation

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