Bayesian Optimization Python Packages

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.

arm-mango

Parallel Hyperparameter Tuning in Python

nni

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

smac

SMAC3: A Versatile Bayesian Optimization Package for Hyperparameter Optimization

gradient-free-optimizers

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

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.

baybe

Bayesian Optimization and Design of Experiments

hpbandster

a distributed Hyperband implementation on Steroids

hyperactive

A unified interface for optimization algorithms and experiments

bofire

Experimental design and (multi-objective) bayesian optimization.

octis

OCTIS: Comparing Topic Models is Simple! A python package to optimize and evaluate topic models (accepted at EACL2021 demo track)

syne-tune

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

google-vizier-dev

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

bore

Bayesian Optimization with Density-Ratio Estimation

sambo

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

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.

pysot

Surrogate Optimization Toolbox for Python

entmoot

Multiobjective black-box optimization using gradient-boosted trees

physbo

PHYSBO -- optimization tools for PHYsics based on Bayesian Optimization

bayeso

Simple, but essential Bayesian optimization package

bask

A fully Bayesian implementation of sequential model-based optimization

mopti

Lightweight tools for experimental design and multi-objective optimization.