elementary-hpo 0.1.1

A lightweight hyperparameter optimization tool using Sobol sequences.

Elementary HPO

Elementary-hpo is a lightweight hyperparameter optimization library built on Sobol Sequences (Quasi-Monte Carlo methods).

It is designed to offer a mathematically superior alternative to Grid Search and Random Search by generating low-discrepancy sequences that cover the hyperparameter search space more evenly and efficiently. Unlike standard Random Search, elementary-hpo allows for sequential optimization, you can pause a search, analyze results, and generate new hyperparameter candidates that mathematically fill the "gaps" of previous runs, without redundancy.

Based on concepts discussed in the research paper Hyperparameter Optimization in Machine Learning. This package allows you to optimize any scikit-learn compatible estimator class (e.g., SVC, XGBClassifier, GradientBoostingRegressor) hyperparameters efficiently by covering the search space more evenly than random search.

Installation

pip install elementary-hpo

Using Poetry If you are using Poetry for your project, add it as a dependency:

poetry add elementary-hpo

Quick Start

1. Basic Usage (Random Forest)

from sklearn.datasets import make_classification
from elementary_hpo import SobolOptimizer, plot_optimization_results, plot_space_coverage

# 1. Generate Data
X, y = make_classification(n_samples=1000, n_features=20, random_state=42)

# 2. Define Search Space
param_bounds = {
    'n_estimators': (50, 300),          # Integer tuple = Numerical range
    'max_depth': (3, 20),
    'min_samples_split': (0.01, 0.5),   # Float tuple = Numerical range
    'criterion': ['gini', 'entropy']    # List = Categorical choices
}

# 3. Initialize Optimizer
optimizer = SobolOptimizer(param_bounds)

# 4. Run Optimization (Phase 1)
optimizer.optimize(X, y, n_samples=8, batch_name="Batch 1")

# 5. Extend Optimization (Phase 2 - fills gaps in Phase 1)
optimizer.optimize(X, y, n_samples=8, batch_name="Batch 2")

# 6. Get Results
print(optimizer.get_best_params())
plot_optimization_results(optimizer.results)
plot_space_coverage(optimizer.results, x_col="n_estimators", y_col="max_depth")

Citation

If you use this package, please consider citing the foundational paper:

"Hyperparameter Optimization in Machine Learning" (2024). arXiv:2410.22854. Available at: https://arxiv.org/abs/2410.22854

Contributing

Contributions are welcome! Please feel free to submit a Pull Request.

Fork the project

Create your feature branch (git checkout -b feature/AmazingFeature)

Commit your changes (git commit -m 'Add some AmazingFeature')

Push to the branch (git push origin feature/AmazingFeature)

Open a Pull Request

LICENSE

This project is licensed under the Apache License - see the LICENSE file for details.