├── .github └── workflows │ ├── deploy_docs.yml │ ├── deploy_pypi.yml │ ├── deploy_tutorials.yml │ └── python_package.yml ├── .gitignore ├── README.md ├── docs └── sphinx │ └── manual │ ├── _static │ ├── custom.css │ └── logo.png │ ├── _templates │ └── versions.html │ ├── copy_tutorials.py │ ├── en │ ├── Makefile │ └── source │ │ ├── acknowledgement.rst │ │ ├── algorithm.rst │ │ ├── api.rst │ │ ├── conf.py │ │ ├── contact.rst │ │ ├── index.rst │ │ ├── install.rst │ │ ├── introduction.rst │ │ └── notebook │ │ ├── index.rst │ │ ├── s5-210.csv │ │ ├── tutorial_Gaussian_process.ipynb │ │ ├── tutorial_basic.ipynb │ │ ├── tutorial_interactive_mode.ipynb │ │ ├── tutorial_multi_objective.ipynb │ │ ├── tutorial_multi_probe.ipynb │ │ ├── tutorial_once_mode.ipynb │ │ └── tutorial_range.ipynb │ └── ja │ ├── Makefile │ ├── make.bat │ ├── scan.sh │ └── source │ ├── .gitignore │ ├── acknowledgement.rst │ ├── algorithm.rst │ ├── api.rst │ ├── conf.py │ ├── contact.rst │ ├── index.rst │ ├── install.rst │ ├── introduction.rst │ └── notebook │ ├── index.rst │ ├── s5-210.csv │ ├── tutorial_Gaussian_process.ipynb │ ├── tutorial_basic.ipynb │ ├── tutorial_interactive_mode.ipynb │ ├── tutorial_multi_objective.ipynb │ ├── tutorial_multi_probe.ipynb │ ├── tutorial_once_mode.ipynb │ └── tutorial_range.ipynb ├── examples ├── gaussian_process │ └── simple.py ├── grain_bound │ ├── .gitignore │ ├── data │ │ └── s5-210.csv │ ├── tutorial.ipynb │ ├── tutorial_interactive_mode.ipynb │ └── tutorial_multi_probe.ipynb ├── multiple_objective │ ├── bayes_search.py │ ├── get_score.py │ ├── permutation_importance.py │ └── range.py ├── simple_time.py └── single_objective │ ├── bayes_search.py │ ├── get_score.py │ ├── permutation_importance.py │ ├── random_feature_map.py │ ├── range.py │ └── sfs.py ├── pyproject.toml ├── src └── physbo │ ├── .gitignore │ ├── __init__.py │ ├── _variable.py │ ├── blm │ ├── __init__.py │ ├── _predictor.py │ ├── basis │ │ ├── __init__.py │ │ └── _fourier.py │ ├── core │ │ ├── __init__.py │ │ └── _model.py │ ├── inf │ │ ├── __init__.py │ │ └── exact.py │ ├── lik │ │ ├── __init__.py │ │ ├── _cov.py │ │ ├── _gauss.py │ │ └── _linear.py │ └── prior │ │ ├── __init__.py │ │ └── _gauss.py │ ├── gp │ ├── __init__.py │ ├── _predictor.py │ ├── core │ │ ├── __init__.py │ │ ├── _model.py │ │ ├── _prior.py │ │ └── learning.py │ ├── cov │ │ ├── __init__.py │ │ └── _gauss.py │ ├── inf │ │ ├── __init__.py │ │ └── exact.py │ ├── lik │ │ ├── __init__.py │ │ └── _gauss.py │ └── mean │ │ ├── __init__.py │ │ ├── _const.py │ │ └── _zero.py │ ├── misc │ ├── __init__.py │ ├── _centering.py │ ├── _cholesky.py │ ├── _gauss_elim.py │ ├── _matrix.py │ ├── _set_config.py │ └── permutation_importance.py │ ├── opt │ ├── __init__.py │ └── _adam.py │ ├── predictor.py │ └── search │ ├── __init__.py │ ├── discrete │ ├── __init__.py │ ├── _history.py │ └── _policy.py │ ├── discrete_multi │ ├── __init__.py │ ├── _history.py │ └── _policy.py │ ├── optimize │ ├── __init__.py │ ├── odatse.py │ └── random.py │ ├── pareto.py │ ├── range │ ├── __init__.py │ ├── _history.py │ └── _policy.py │ ├── range_multi │ ├── __init__.py │ ├── _history.py │ └── _policy.py │ ├── score.py │ ├── score_multi.py │ └── utility.py ├── tests ├── README.md ├── integrated │ ├── __init__.py │ ├── test_gp.py │ ├── test_interactive_example.py │ ├── test_interactive_range.py │ ├── test_multi_objective.py │ ├── test_range_example.py │ └── test_simple_example.py └── unit │ ├── __init__.py │ ├── test_gp.py │ ├── test_misc.py │ ├── test_policy.py │ ├── test_range_policy.py │ ├── test_search.py │ └── test_variable.py └── tox.ini /.github/workflows/deploy_docs.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/issp-center-dev/PHYSBO/HEAD/.github/workflows/deploy_docs.yml -------------------------------------------------------------------------------- /.github/workflows/deploy_pypi.yml: 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