v0.6 - Run System API

In version v0.6 the API for the run system was redesigned with the goal of a simple usage without the full config file. Additionally automated code reformatting was added.

What's Changed

• new API for the run system - cleaner & simpler - for details see #173 (by @Rykath)
  • including an example notebook and unit tests
• pre-commit hooks to clean notebooks and format code with black by @Rykath

Full Changelog: v0.5...v0.6

v0.5 - Improved Active Learning, Linear Regression and Refactoring

In version v0.5 the focus was on improving Active Learning, as well as refactoring proFit to embrace the hierarchical component structure. In addition, Linear Regression has been implemented as an alternative to Gaussian Process Regression.

What's Changed

• Major Refactor and Enhanced Active Learning by @mkendler in #142, #145, #153 and #161
  • Abstract Base Class, Config, Variables, Surrogates, Active Learning, Acquisition Functions, Encoders
  • added MCMC
  • more testcases
• Added run system documentation by @Rykath in #147
• Updated documentation by @mkendler in #161
• Run system improvements, fixes and polishing by @Rykath in #147, #148, #152, #157, #162 and #139
• Added Chaospy Linear Regression by @Squadula in #139

Full Changelog: v0.4...v0.5

v0.5rc - Refactoring and improved Active Learning

In version v0.5 the focus was on improving Active Learning, as well as refactoring proFit to embrace the hierarchical component structure.

Note: the final release of v0.5 will include Linear Regression

What's Changed

• Major Refactor and Enhanced Active Learning by @mkendler in #142, #145, #153 and #161
  • Abstract Base Class, Config, Variables, Surrogates, Active Learning, Acquisition Functions, Encoders
  • added MCMC
  • more testcases
• Added run system documentation by @Rykath in #147
• Updated documentation by @mkendler in #161
• Run system improvements, fixes and polishing by @Rykath in #147, #148, #152, #157 and #162

Full Changelog: v0.4...v0.5rc

v0.4 - Cleanup, Surrogates, Active Learning, Run Flow and UI

What's Changed

• Cleanup by @mkendler and @krystophny in #63, #65
• Reworked Surrogate structure and basic Active Learning by @mkendler in #69, #86, #87, #91, #97 and #122
• Reworked Run flow, including Slurm support by @Rykath in #89, #92, #95, #105, #116 and #115
• Reworked UI with plotly/dash by @michad1111 in #90, #93, #98, #114, #124, #126 and #130
• Dimensionality reduction with PCA and Karhunen-Loeve by @krystophny in #78 and #94
• Package installation (PEP 517), readthedocs and workflows by @Rykath in #68, #77 and #112
• Polishing by @krystophny, @Rykath and @Squadula in #84, #118, #123, #113 and #129

New Contributors

• @mkendler made their first contribution in #63
• @Rykath made their first contribution in #68
• @michad1111 made their first contribution in #90
• @Squadula made their first contribution in #118

Full Changelog: v0.3-alpha...v0.4

v0.4rc - Cleanup, Surrogates, Active Learning, Run Flow and UI

What's Changed

• Initial Cleanup by @mkendler in #63
• Cleanup of file headers, setup and CI by @krystophny in #65
• Clean installation process by @Rykath in #68
• Add basic fit configs and docs by @mkendler in #69
• Update setup - fix readthedocs, optional requirements by @Rykath in #77
• Dimension reduction drafts by @krystophny in #78
• Fix numpy version mismatch when compiling fortran + running tests by @krystophny in #84
• Add Basic Active Learning by @mkendler in #86
• Add config and mockup testcases by @mkendler in #87
• New run flow by @Rykath in #89
• Dash rework by @michad1111 in #90
• New Surrogate Structure and ActiveLearning Tests by @mkendler in #91
• PCA and Karhunen-Loeve by @krystophny in #94
• ZeroMQ, Slurm, Documentation & more by @Rykath in #92
• UI: add fits by @michad1111 in #93
• Polishing Slurm by @Rykath in #95
• Docstrings and improved Fit by @mkendler in #97
• Speed by @Rykath in #105
• UI update by @michad1111 in #98
• fix template no longer rewriting link targets by @Rykath in #116
• UI improvements by @michad1111 in #114
• prepare v0.4 for packaging by @Rykath in #112
• Update README.md by @Squadula in #118
• Logarithmic encoding and normalization by @mkendler in #122
• UI: User documentation by @michad1111 in #124
• Polishing for v0.4 by @krystophny in #123
• polishing the run system by @Rykath in #113
• polishing slurm by @Rykath in #115
• Multi-fit turned off in 2D if #invars <= 2 by @michad1111 in #126

New Contributors

• @mkendler made their first contribution in #63
• @Rykath made their first contribution in #68
• @michad1111 made their first contribution in #90
• @Squadula made their first contribution in #118

Full Changelog: v0.3-alpha...v0.4rc

v0.3

Full Changelog: v0.2-alpha...v0.3-alpha

v0.2

Full Changelog: v0.1-alpha...v0.2-alpha

v0.1

Full Changelog: v0.1-alpha