Progessbar for Hyperopt #494
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Jimbo994
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Jan 9, 2025
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* add draft of restrucuted doe class * refactoring doe * add formulaic to be installed always * add formulaic to be installed always * add formulaic to be installed always * add formulaic to be installed always * check style * check style * check style * remove enumns * remove enumns * remove enumns * fix branch and bound * move delta into criterion * move delta into criterion * move delta into criterion * move delta into criterion * move default criterion * move default criterion * move default criterion * move default criterion * refactor formulas and number of experiments * pyright * fix test * fix test * fix test * fix tutorial * fix tutorial * fix tutorial * fix test * fix test * fix getting started * aarons review * rmv unneded tests * formulaic version fixed bc of breaking changes * add explanatory text to doe basic examples * typo in basic_examples.ipynb * format basic doe example * consolidate spac_filling with doe * Add categoricals for `FractionalFactorialStrategy` (#480) * integrate factorial in fractional factorial * fix tests * merge main * Multiplicative additive sobo objectives (#481) * added MultiplicativeAdditive data model * added actual multiplicative model (callable is missing) * added torch functions * added test for objective * added test for sobo stategy: multiplicative_additive * changed additive/multiplicative calculations: - Removed scaling by x**(1/(....)) to avoid numerical errors, if x<0 - included weight transformation for multiplicative objectives from (0, 1] to [1, inf) scale to avoid numerical errors at weights != 1.0 - added tests for weights != 1.0 * added notebook for comparison of merging objectives * after hooks * addet .idea/ folder (pycharm) to gitignore * after hooks * Apply pre-commit fixes * Delete .idea directory * corrected tests for multiplicative_additive_botorch_objective * after pre-commit * lint specifications * corrected weightings calc in test for multiplicative objective * after hooks * changed docstrings to google docstring format * easy fixes, spelling errors * forgot linting * easy fixes, spelling errors * removed denominator additive from multiplicative_additive_sobo strategy * after hooks * fixed typing * tensor initialization of objectives * after hooks * avoiding torch size error * avoid linting error * after hooks * reverting test-renaming * revert isinstance list comprehension to tuple.... solution * testing copilot suggestions for linting errors * reverting wrong copilot suggestions * added test for _callables_and_weights * after hooks * added test for SOBO strategy data model * added test for SOBO strategy data model * added new sobo strategy to a mysterious list * after hooks * still trying to get rid of the linting error, expecting tuple(types) * WIP * WIP * WIP * WIP * WIP * minor corrections * add pbar support for hyperopt (#494) * Make the BoFire Data Models OpenAI compatible (#495) * tuples to lists * fix tests * fix linting issues * Group split kfold (#484) * add group kfold option in cross_validate of any traainable surrogate * changed to GroupShuffleSplit, added test case * improve docstring & add some inline comments in test * refactor cross_validate & add tests * imrpve tests, remove unnecessary case while checking group split col * add push * formatting --------- Co-authored-by: Jim Boelrijk Valcon <[email protected]> * fix strict candidate enforcement (#492) * Drop support for Python 3.9 (#493) * update tests and pyproject.toml * update lint workflow * update test * bump pyright * different pyright version * change linting * Update pyproject.toml (#501) BoTorch is slowed down massively by scipy 1.15: pytorch/botorch#2668. We should fix it. * kernels working on a given set of features (#476) * kernels working on a given set of features * pre-commit * test map singletaskgp with additive kernel * test active_dims of mapped kernels * add features_to_idx_mapper to outlier detection tutorial * correctly handling categorical mol features * validating mol features transforms * verifying proper type * custom hamming kernel enabling single task gp on categorical features * removed unnecessary parameter from data model * testing equivalence of mixed gp and single gp with custom kernel * (temporary) running on all py versions * (temporary) debug github actions by printing * more printing * Revert "testing equivalence of mixed gp and single gp with custom kernel" This reverts commit 4a2a547. * Revert "removed unnecessary parameter from data model" This reverts commit 6ad1dfd. * Revert "custom hamming kernel enabling single task gp on categorical features" This reverts commit 17d8350. * Revert "Revert "custom hamming kernel enabling single task gp on categorical features"" This reverts commit 2e29852. * Revert "Revert "testing equivalence of mixed gp and single gp with custom kernel"" This reverts commit 1cd2776. * removed test debug and restored to latest implemented features * pinning compatible version of formulaic * pinning compatible version of formulaic * removed old code * lint * removed scratch file * removed old code again * silencing pyright false positive * compatibility with py39 * pin compatible version of formulaic * restored old code * pinning sklearn * pinning sklearn * pinning scikit everywhere * not testing for prediction quality * matching lengthscale constraints in hamming kernel * removed equivalence test * testing hamming kernel * added test for mol features in single task gp * categorical onehot kernel uses the right lengthscale for multiple features * removed redundant check * more descriptive name for base kernel * updated docstring * improved tests and comments --------- Co-authored-by: Robert Lee <[email protected]> * Fix mapper tests (#502) * fix kernel mapper tests * bump botorch dependency * rmv unused import in staregies.api * rmv unused import in space filling * rmv unused import in space filling * fix data models tets * fix data models tets * fix data models tets * fix data models tets * fix data models tets * no more bnb in test * add fixtures for criteria * add fixtures for criteria --------- Co-authored-by: LinzneDD_basf <[email protected]> Co-authored-by: Dominik Linzner <[email protected]> Co-authored-by: linznedd <[email protected]> Co-authored-by: Robert Lee <[email protected]> Co-authored-by: Lukas Hebing <[email protected]> Co-authored-by: Julian Keupp <[email protected]> Co-authored-by: Jim Boelrijk Valcon <[email protected]> Co-authored-by: Emilio Dorigatti <[email protected]>
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So far the hyperopt runner in bofire was only showing a progress bar when not using the FractionalFactorialStrategy, unfortunately, this is the default for singletaskgps. This PR adds the progress bar.