Skip to content

About

A curated list of Bayesian optimization resources

Resources

Code of conduct

Contributing

Stars

0 stars

Watchers

0 watching

Forks

 
 

Repository files navigation

Awesome Bayesian Optimization Awesome

Awesome Bayesian Optimization

A curated list of Bayesian optimization resources, maintained by Richard Cornelius Suwandi.

Web version: richardcsuwandi.github.io/awesome-bo.

Contents

Getting Started

The list is grouped by type. A common order is a tutorial, then a book, then a library.

Start with a tutorial:

More surveys and tutorials are under Papers. Lectures are under Community.

Then a book: Garnett for theory, or Bayesian Optimization in Action for a Python walkthrough. The rest are under Books.

Then a library. Ax is a service: you declare the search space and the metric, and it runs the loop. BoTorch is a toolkit: you write that loop yourself. Other libraries are under Software.

Books

Software

Actively maintained libraries. Archived and maintenance-only packages are listed in unmaintained.md.

  • Ax - Adaptive experimentation platform on top of BoTorch, with constraints, multi-objective, and mixed spaces.
  • Vizier - Google's service-style black-box optimization, now open source.
  • BoTorch - Modular Monte Carlo BO library built on PyTorch and GPyTorch.
  • Trieste - TensorFlow/GPflow toolbox for batch, constrained, multi-fidelity, and multi-objective BO.
  • BoFire - Experimental design and BO for mixed spaces, used in chemical and pharmaceutical settings.
  • HEBO - Heteroscedastic evolutionary BO from Huawei Noah's Ark Lab.
  • SMAC3 - Sequential model-based algorithm configuration, using random forests or GPs.
  • OpenBox - Black-box optimization system with transfer, multi-fidelity, and distributed runs.
  • Dragonfly - Scalable BO for expensive functions, including parallel and high-dimensional variants.
  • BayesianOptimization - Small scikit-learn GP implementation of EI-style BO.
  • emukit - Multi-fidelity emulation, experimental design, and BO on top of GPy.
  • NUBO - Compact PyTorch BO package aimed at scientists writing their own loop.
  • Syne Tune - AWS HPO toolkit with BO, multi-fidelity, and transfer methods.
  • HyperMapper - BO for computer-systems autotuning, including constrained and multi-objective problems.
  • CAKE - LLM-driven evolution of GP kernels inside BO.
  • PlugBO - Modular agentic interface around a BO loop.

Related HPO tools

Not GP-BO, but often compared with it.

  • Optuna - Define-by-run HPO. Default sampler is TPE, not a GP.
  • Hyperopt - TPE over complex search spaces.

Domain-specific

  • Gryffin - BO for continuous and categorical experimental variables, with physicochemical descriptors.
  • limbo - C++ BO library from robotics.

Papers

Canonical method papers, grouped by problem setting. Each section is a short reading list, not an archive. Newest year first, same year by title. Foundations is oldest first. The Surveys section starts with Shahriari, then Brochu.

Surveys and Tutorials

Foundations

Surrogate Design

Kernels, input transforms, and non-GP surrogates. DNGO is under Foundations.

Acquisition Functions

High-Dimensional

Constrained and Safe

Multi-Objective

Multi-Fidelity, Multi-Task, and Transfer

Batch and Parallel

Discrete and Mixed Spaces

Preferential Feedback

Meta-Learning

LLMs and BO

The LLM is the optimizer (no GP), or it occupies one slot in a BO loop. CAKE is under Surrogate Design. FunBO is under Acquisition Functions. PlugBO is under Software and Blogs.

Benchmarks

  • HPOBench - Containerized multi-fidelity HPO problems.
  • YAHPO Gym - Fast surrogate HPO benchmarks.
  • BoLT - Surrogate and tabular benchmarks for BO on expensive LLM tasks, without running real LLM training.
  • HPO-B - Transfer-HPO benchmark with related tasks.
  • LassoBench - High-dimensional weighted-Lasso HPO.
  • COCO / BBOB - Noiseless and noisy black-box testbeds used beyond BO.
  • Bayesmark - Scoring harness for comparing BO libraries on ML models.

Applications

Pointer papers and domain lists. New application papers that only use BO should go to a domain list, not here.

Community

Videos

Blogs

Recent Preprints

Unreviewed method papers (Bayesian optimization is the contribution). Capped at 20, newest first. After peer review, open a PR to move an entry into the matching Papers section. Application papers are dropped on sight.

Contributing

See contributing.md. Use the issue templates or open a pull request.

About

A curated list of Bayesian optimization resources

Resources

Code of conduct

Contributing

Stars

0 stars

Watchers

0 watching

Forks

Releases

Packages

Contributors

Languages