0.7.4

What's Changed

Added

• Subpackages for the available recommender types
• Multi-style plotting capabilities for generated example plots
• JSON file for plotting themes
• Smoke testing in relevant tox environments
• ContinuousParameter base class
• New environment variable BAYBE_CACHE_DIR that can customize the disk cache directory
  or turn off disk caching entirely
• Options to control the number of nonzero parameters in SubspaceDiscrete.from_simplex
• Temporarily ignore ONNX vulnerabilities
• Better human readable __str__ representation of search spaces
• pretty_print_df function for printing shortened versions of dataframes
• Basic Transfer Learning example
• Repo now has reminders (https://github.com/marketplace/actions/issue-reminder) enabled
• mypy for recommenders

Changed

• Recommenders now share their core logic via their base class
• Remove progress bars in examples
• Strategies are now called MetaRecommender's and part of the recommenders.meta
  module
• Recommender's are now called PureRecommender's and part of the recommenders.pure
  module
• strategy keyword of Campaign renamed to recommender
• NaiveHybridRecommender renamed to NaiveHybridSpaceRecommender

Fixed

• Unhandled exception in telemetry when username could not be inferred on Windows
• Metadata is now correctly updated for hybrid spaces
• Unintended deactivation of telemetry due to import problem
• Line wrapping in examples

Deprecations

• TwoPhaseStrategy
• SequentialStrategy
• StreamingSequentialStrategy

Merged Pull Requests

• Fix docs pipeline by @AdrianSosic in #126
• Change docs pipeline python version to 3.9 by @AdrianSosic in #127
• Create recommender subpackages by @AdrianSosic in #128
• Refactor recommender methods by @AdrianSosic in #129
• Multi-version plotting & SMOKE_TEST by @AVHopp in #111
• ContinuousParameter base class by @AdrianSosic in #132
• Configurable Cache Dirs by @Scienfitz in #134
• Hotfix: Fallback for Windows-related getuser() issue by @Scienfitz in #133
• Fix hybrid metadata by @Scienfitz in #136
• Hotfix: Telemetry Was Accidentally Disabled by @Scienfitz in #138
• Add line wrap for examples in documentation by @AVHopp in #139
• Nonzero simplex parameter control by @AdrianSosic in #137
• HOTFIX: Ignore newly found ONNX vulnerabilities by @AVHopp in #142
• Include pretty printing for search spaces by @RimRihana in #124
• Remove progress bar in examples by @AVHopp in #141
• Basic Transfer Learning example by @AVHopp in #118
• Enable repo reminders by @Scienfitz in #144
• Add permissions to reminder action by @Scienfitz in #145
• Refactor Strategies to Recommenders by @Scienfitz in #146
• Mypy for recommenders by @Scienfitz in #147
• Consolidate recommender / strat user guides and examples by @Scienfitz in #148
• Include SMOKE_TEST in examples by @AVHopp in #150
• Release 0.7.4 by @Scienfitz in #149

New Contributors

• @RimRihana made their first contribution in #124

Full Changelog: 0.7.3...0.7.4

0.7.3

What's Changed

Added

• Copy button for code blocks in documentation
• mypy for campaign, constraints and telemetry
• Top-level example summaries
• RecommenderProtocol as common interface for Strategy and Recommender
• SubspaceDiscrete.from_simplex convenience constructor

Changed

• Order of README sections
• Imports from top level baybe.utils no longer possible
• Renamed utils.numeric to utils.numerical
• Optional chem dependencies are lazily imported, improving startup time

Fixed

• Several minor issues in documentation
• Visibility and constructor exposure of Campaign attributes that should be private
• TaskParameters no longer disappear from computational representation when the
  search space contains only one task parameter value
• Failing baybe import from environments containing only core dependencies caused by
  eagerly loading chem dependencies
• tox coretest now uses correct environment and skips unavailable tests
• Basic serialization example no longer requires optional chem dependencies

Removed

• Detailed headings in table of contents of examples

Deprecations

• Passing numerical_measurements_must_be_within_tolerance to the Campaign
  constructor is no longer supported. Instead, Campaign.add_measurements now
  takes an additional parameter to control the behavior.
• batch_quantity replaced with batch_size
• allow_repeated_recommendations and allow_recommending_already_measured are now
  attributes of Recommender and no longer attributes of Strategy

Merged Pull Requests

• Lazy-loading chemistry dependencies by @rjavadi in #87
• Minor doc tweaks by @AdrianSosic in #83
• Misc MyPy Activations by @Scienfitz in #93
• Reorder README sections and print dataframe by @sgbaird in #95
• Remove botorch wrapper from namespace by @rjavadi in #102
• Move doc building utilities to separate file by @AVHopp in #105
• Fix dataframe hypothesis strategy by @AdrianSosic in #108
• Refactor exposed campaign attributes by @AdrianSosic in #106
• Rename batch_quantity to batch_size by @AdrianSosic in #107
• Explicit top-level files for example folders by @AVHopp in #99
• Fix example output in documentation by @AVHopp in #109
• Recommender Protocol and Related Signature Changes by @Scienfitz in #110
• Small import optimizations by @Scienfitz in #112
• Update project metadata by @AdrianSosic in #113
• Hotfix: Disappearing Task Parameters by @AdrianSosic in #115
• Fix coretest by @Scienfitz in #116
• Remove SubstanceParameter from basic serialization example by @AdrianSosic in #122
• SubspaceDiscrete.from_simplex convenience constructor by @AdrianSosic in #117
• Release 0.7.3 by @AdrianSosic in #125

New Contributors

• @rjavadi made their first contribution in #87
• @sgbaird made their first contribution in #95

Full Changelog: 0.7.2...0.7.3

0.7.2

What's Changed

Added

• Target enums
• mypy for targets and intervals
• Tests for code blocks in README and user guides
• hypothesis strategies and roundtrip tests for targets, intervals, and dataframes
• De-/serialization of target subclasses via base class
• Docs building check now part of CI
• Automatic formatting checks for code examples in documentation
• Deserialization of classes with classmethod constructors can now be customized
  by providing an optional constructor field
• SearchSpace.from_dataframe convenience constructor

Changed

• Renamed bounds_transform_func target attribute to transformation
• Interval.is_bounded now implements the mathematical definition of boundedness
• Moved and renamed target transform utility functions
• Examples have two levels of headings in the table of content
• Fix orders of examples in table of content
• DiscreteCustomConstraint validator now expects dataframe instead of series
• ignore_example flag builds but does not execute examples when building documentation
• New user guide versions for campaigns, targets and objectives
• Binarization of dataframes now happens via pickling

Fixed

• Wrong use of tolerance argument in constraints user guide
• Errors with generics and type aliases in documentation
• Deduplication bug in substance_data hypothesis
• Use pydoclint as flake8 plugin and not as a stand-alone linter
• Margins in documentation for desktop and mobile version
• Intervals can now also be deserialized from a bounds iterable
• SubspaceDiscrete and SubspaceContinuous now have de-/serialization methods

Removed

• Conda install instructions and version badge
• Early fail for different Python versions in regular pipeline

Deprecations

• Interval.is_finite replaced with Interval.is_bounded
• Specifying target configs without explicit type information is deprecated
• Specifying parameters/constraints at the top level of a campaign configuration JSON is
  deprecated. Instead, an explicit searchspace field must be provided with an optional
  constructor entry.

Merged Pull Requests

• Ditch Conda by @Scienfitz in #53
• Hypothesis for parameters by @AdrianSosic in #6
• Mypy for targets by @AdrianSosic in #54
• Mypy for intervals by @AdrianSosic in #55
• Documentation tests by @AdrianSosic in #59
• Fix type alias and generic in documentation by @AVHopp in #67
• Hypothesis for targets and intervals by @AdrianSosic in #56
• Fix typo in userguide by @nicornk in #70
• Update Actions by @Scienfitz in #71
• Finish Constraints User Guide by @Scienfitz in #72
• Formatting test for user guide code blocks by @AdrianSosic in #77
• Use pydoclint as flake8 plugin by @AVHopp in #75
• Adjust margins in documentation by @AdrianSosic in #81
• Build but do not execute examples when ignoring them by @AVHopp in #82
• Campaign user guide by @AVHopp in #61
• Interval convenience deserialization by @AdrianSosic in #85
• Finish Target / Objective User Guide by @Scienfitz in #76
• Change docs publishing trigger by @Scienfitz in #90
• Config and serialization enhancement by @AdrianSosic in #86
• Release 0.7.2 by @AdrianSosic in #98

New Contributors

• @nicornk made their first contribution in #70

Full Changelog: 0.7.1...0.7.2

0.7.1

What's Changed

Added

• Release pipeline now also publishes source distributions

Fixed

• Link handling in documentation

Merged Pull Requests

• Post 0.7.0 link fix by @AVHopp in #24
• Release Sdists by @Scienfitz in #25
• Release 0.7.1 by @AdrianSosic in #26

Full Changelog: 0.7.0...0.7.1

0.7.0 Alpha 1

Test release.

0.7.0

What's Changed

Added

• GitHub CI pipelines
• GitHub documentation pipeline
• Optional --force option for building the documentation despite errors
• Enabled passing optional arguments to tox -e docs calls
• Logo and banner images
• Project metadata for pyproject.toml
• PyPI release pipeline
• Favicon for homepage
• More literature references
• First drafts of first user guides

Changed

• Reworked README for GitHub landing page
• Now has concise contribution guidelines
• Use Furo theme for documentation

Removed

• --debug flag for documentation building

Merged Pull Requests

• Add CI pipelines by @Scienfitz in #1
• Restructure CONTRIBUTING.md by @AdrianSosic in #4
• Fix open issues in doc generation by @AVHopp in #7
• README Overhaul by @Scienfitz in #3
• Add documentation github action by @AVHopp in #9
• Use furo theme for docs by @AVHopp in #10
• Project metadata for pyproject.toml by @AdrianSosic in #5
• Add Release Pipeline by @Scienfitz in #12
• Images updates by @Scienfitz in #14
• Actions Changes by @Scienfitz in #17
• Repo/fix links by @AdrianSosic in #13
• Change Release Pipeline Check by @Scienfitz in #19
• Update CONTRIBUTORS.md by @Scienfitz in #18
• Move authors from pyproject to README by @AVHopp in #16
• Add Literature References by @Scienfitz in #20
• Minor color adjustments by @AVHopp in #22
• Diverse set of Userguides by @AVHopp in #2
• Userguide: Constraints and Parameters by @Scienfitz in #21
• Release 0.7.0 by @AdrianSosic in #23

Full Changelog: 0.6.1...0.7.0