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CHANGES.md

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@@ -5,6 +5,69 @@ chronological order. We follow [semantic versioning](https://semver.org/) and al
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releases are available on [Anaconda.org](https://anaconda.org/optimagic-dev/optimagic).
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## 0.5.2
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This minor release adds support for two additional optimizer libraries:
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- [Nevergrad](https://github.com/facebookresearch/nevergrad): A library for
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gradient-free optimization developed by Facebook Research.
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- [Bayesian
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Optimization](https://github.com/bayesian-optimization/BayesianOptimization): A
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library for constrained bayesian global optimization with Gaussian processes.
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In addition, this release includes several bug fixes and improvements to the
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documentation. Many contributions in this release were made by Google Summer of Code
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(GSoC) 2025 applicants, with @gauravmanmode and @spline2hg being the accepted
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contributors.
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- {gh}`620` Uses interactive plotly figures in documentation ({ghuser}`timmens`).
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- {gh}`618` Improves bounds processing when no bounds are specified ({ghuser}`timmens`).
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- {gh}`615` Adds pre-commit hook that checks mypy version consistency ({ghuser}`timmens`).
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- {gh}`613` Exposes converter functionality ({ghuser}`spline2hg`).
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- {gh}`612` Fixes results processing to work with new cobyla optimizer ({ghuser}`janosg`).
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- {gh}`610` Adds `needs_bounds` and `supports_infinite_bounds` fields to algorithm info ({ghuser}`gauravmanmode`).
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- {gh}`608` Adds support for plotly >= 6 ({ghuser}`hmgaudecker`, {ghuser}`timmens`).
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- {gh}`607` Returns `run_explorations` results in a dataclass ({ghuser}`r3kste`).
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- {gh}`605` Enhances batch evaluator checking and processing, introduces the internal
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`BatchEvaluatorLiteral` literal, and updates CHANGES.md ({ghuser}`janosg`,
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{ghuser}`timmens`).
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- {gh}`602` Adds optimizer wrapper for bayesian-optimization package ({ghuser}`spline2hg`).
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- {gh}`601` Updates pre-commit hooks and fixes mypy issues ({ghuser}`janosg`).
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- {gh}`598` Fixes and adds links to GitHub in the documentation ({ghuser}`hamogu`).
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- {gh}`594` Refines newly added optimizer wrappers ({ghuser}`janosg`).
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- {gh}`591` Adds multiple optimizers from the nevergrad package ({ghuser}`gauravmanmode`).
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- {gh}`589` Rewrites the algorithm selection pre-commit hook in pure Python to address
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issues with bash scripts on Windows ({ghuser}`timmens`).
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- {gh}`586` and {gh}`592` Ensure the SciPy `disp` parameter is exposed for the following
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SciPy algorithms: slsqp, neldermead, powell, conjugate_gradient, newton_cg, cobyla,
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truncated_newton, trust_constr ({ghuser}`sefmef`, {ghuser}`TimBerti`).
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- {gh}`585` Exposes all parameters of [SciPy's
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BFGS](https://docs.scipy.org/doc/scipy/reference/optimize.minimize-bfgs.html)
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optimizer in optimagic ({ghuser}`TimBerti`).
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- {gh}`582` Adds support for handling infinite gradients during optimization
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({ghuser}`Aziz-Shameem`).
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- {gh}`579` Implements a wrapper for the PSO optimizer from the
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[nevergrad](https://github.com/facebookresearch/nevergrad) package ({ghuser}`r3kste`).
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- {gh}`578` Integrates the `intersphinx-registry` package into the documentation for
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automatic linking to up-to-date external documentation
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({ghuser}`Schefflera-Arboricola`).
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- {gh}`576` Wraps oneplusone optimizer from nevergrad ({ghuser}`gauravmanmode`, {ghuser}`gulshan-123`).
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- {gh}`572` and {gh}`573` Fix bugs in error handling for parameter selector processing
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and constraints checking ({ghuser}`hmgaudecker`).
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- {gh}`570` Adds a how-to guide for adding algorithms to optimagic and improves internal
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documentation ({ghuser}`janosg`).
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- {gh}`569` Implements a threading batch evaluator ({ghuser}`spline2hg`).
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- {gh}`568` Introduces an initial wrapper for the migrad optimizer from the
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[iminuit](https://github.com/scikit-hep/iminuit) package ({ghuser}`spline2hg`).
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- {gh}`567` Makes the `fun` argument optional when `fun_and_jac` is provided
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({ghuser}`gauravmanmode`).
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- {gh}`563` Fixes a bug in input harmonization for history plotting
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({ghuser}`gauravmanmode`).
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- {gh}`552` Refactors and extends the `History` class, removing the internal
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`HistoryArrays` class ({ghuser}`timmens`).
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- {gh}`485` Adds bootstrap weights functionality ({ghuser}`alanlujan91`).
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## 0.5.1
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This is a minor release that introduces the new algorithm selection tool and several

README.md

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[![image](https://codecov.io/gh/optimagic-dev/optimagic/branch/main/graph/badge.svg)](https://codecov.io/gh/optimagic-dev/optimagic)
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[![image](https://results.pre-commit.ci/badge/github/optimagic-dev/optimagic/main.svg)](https://results.pre-commit.ci/latest/github/optimagic-dev/optimagic/main)
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[![Ruff](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/astral-sh/ruff/main/assets/badge/v2.json)](https://github.com/astral-sh/ruff)
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[![image](https://img.shields.io/badge/Contributor%20Covenant-2.1-4baaaa.svg)](CODE_OF_CONDUCT.md)
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[![image](https://pepy.tech/badge/optimagic/month)](https://pepy.tech/project/optimagic)
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[![image](https://img.shields.io/badge/NumFOCUS-affiliated%20project-orange.svg?style=flat&colorA=E1523D&colorB=007D8A)](https://numfocus.org/sponsored-projects/affiliated-projects)
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[![image](https://img.shields.io/twitter/follow/aiidateam.svg?style=social&label=Follow)](https://x.com/optimagic)

docs/rtd_environment.yml

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- conda-forge
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- nodefaults
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dependencies:
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- python=3.11
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- python=3.12
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- typing-extensions
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- pip
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- setuptools_scm
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- toml
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- sphinx
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- sphinx>=8.2.3
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- sphinxcontrib-bibtex
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- sphinx-copybutton
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- sphinx-design
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- sphinx-panels
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- ipython
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- ipython_genutils
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- myst-nb
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- scipy
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- patsy
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- joblib
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- plotly
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- plotly>=6.2
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- nlopt
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- annotated-types
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- pygmo>=2.19.0
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- pip:
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- ../
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- kaleido
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- -e ../
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- Py-BOBYQA
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- DFO-LS
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- pandas-stubs # dev, tests

docs/source/_static/js/require.js

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