Bayesian Optimization Python Packages

arm-mango

Parallel Hyperparameter Tuning in Python

emukit

A Python-based toolbox of various methods in decision making, uncertainty quantification and statistical emulation: multi-fidelity, experimental design, Bayesian optimisation, Bayesian quadrature, etc.

smac

SMAC3: A Versatile Bayesian Optimization Package for Hyperparameter Optimization

nni

An open source AutoML toolkit for automate machine learning lifecycle, including feature engineering, neural architecture search, model compression and hyper-parameter tuning.

matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.

google-vizier

Python-based research interface for blackbox and hyperparameter optimization, based on the internal Google Vizier Service.

tune-sklearn

A drop-in replacement for Scikit-Learn’s GridSearchCV / RandomizedSearchCV -- but with cutting edge hyperparameter tuning techniques.

gradient-free-optimizers

Lightweight optimization with local, global, population-based and sequential techniques across mixed search spaces

hpbandster

a distributed Hyperband implementation on Steroids

baybe

Bayesian Optimization and Design of Experiments

hyperactive

A unified interface for optimization algorithms and experiments

syne-tune

Large scale and asynchronous Hyperparameter and Architecture Optimization at your fingertips.

bofire

Experimental design and (multi-objective) bayesian optimization.

mopti

Tools for experimental design and multi-objective optimization

chekipeuq

This is the CheKiPEUQ package which stands for Chemical Kinetics Parameter Estimation and Uncertainty Quantification. See https://github.com/AdityaSavara/CheKiPEUQ for more information.

sambo

🎯 📈 Sequential and Model-Based Optimization in Python, featuring SCE-UA, SMBO, and SHGO algorithms. SOTA perfomance; 0 deps.

octis

OCTIS: a library for Optimizing and Comparing Topic Models.

google-vizier-dev

Open Source Vizier: Distributed service framework for blackbox optimization and research.

pysot

Surrogate Optimization Toolbox for Python

entmoot

Multiobjective black-box optimization using gradient-boosted trees

bore

Bayesian Optimization with Density-Ratio Estimation

bask

A fully Bayesian implementation of sequential model-based optimization

bayes-optim

Bayesian Optimization algorithms with various recent improvements

summit

Optimising chemical reactions using machine learning