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v3.0.0

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@yomichi yomichi released this 29 Sep 01:00
· 1 commit to release-3.0 since this release

A New Major Version of PHYSBO!

Major Changes

PHYSBO v3 introduces three major changes:

  • Cython code moved to external package: Code written with Cython has been moved to the external package physbo-core-cython [#77]
    • This simplifies the installation process of PHYSBO, particularly on Windows
    • The performance (speed) of PHYSBO is slightly reduced compared to PHYSBO v2
    • Users can achieve the original performance by installing the physbo-core-cython package
  • Class names capitalized according to PEP8: Many class names have been capitalized to follow PEP8 (Python code style guide) [#73]
    • For example, the physbo.search.discrete.policy class becomes physbo.search.discrete.Policy
    • The old names are marked as deprecated, so users can still use them with warnings
  • NumPy2 support: Full support for NumPy2 has been added [#70]
    • While PHYSBO v2 code worked with NumPy2, the required NumPy version was capped

New Features

  • New permutation importance (PI) calculation methods [#72]
    • PI helps identify which features (parameters) are most influential for the objective functions
  • New policy classes: physbo.search.range.Policy and range_multi.Policy [#76]
    • These policies perform Bayesian optimization directly in continuous parameter spaces
    • Since optimizing the acquisition function in continuous space is more challenging than in discrete space, we recommend using discrete optimization when possible

Other Updates

  • Tutorial notebooks: Jupyter notebooks used as tutorials have been uploaded to ISSP datarepo [#75]
    • See the data/tutorial directory

Full Changelog: v2.2.0...v3.0.0