Changelog#

Unreleased#

0.3.2 (2025/07/15)#

  • Fix bug in GreedySelection that would pick same item multiple times (#265)

0.3.1 (2025/06/30)#

  • Fix typos and make minor edits to PCovC and KPCovR docs (#254)

  • Fix assertTrue typos in KPCovR testing suite (#254)

  • Add KernelPCovC class and examples (#254)

0.3.0 (2025/06/12)#

  • Add _BasePCov class (#248)

  • Add PCovC class that inherits shared functionality from _BasePCov (#248)

  • Add PCovC testing suite and examples (#248)

  • Modify PCovR to inherit shared functionality from _BasePCov (#248)

  • Update to sklearn >= 1.7.0 and scipy >= 1.15.0 (#239, #257)

  • Fixed moved function import from scipy and bump scipy dependency to 1.15.0 (#236)

  • Fix rendering issues for SparseKDE and QuickShift (#236)

  • Updating FPS to allow a numpy array of ints as an initialize parameter (#145)

  • Supported Python versions are now ranging from 3.9 - 3.13.

  • Updating skmatter.datasets submodule to support sklearn 1.5.0 (#229)

  • Add SparseKDE class (#222)

  • Add QuickShift class (#222)

  • Add an example on how to conduct PAMM algorithm with SparseKDE and QuickShift (#222)

  • Add H2O-BLYP-Piglet dataset (#222)

  • Add two distance metrics that support the periodic boundry condition, periodic_pairwise_euclidean_distances and pairwise_mahalanobis_distances (#222)

0.2.0 (2023/08/24)#

  • Add this CHANGELOG file (#198)

  • Update example of WHO feature selection (#212)

  • Rename RidgeRegression2FoldCV -> Ridge2FoldCV (#211)

  • Adding metrics for prediction rigidity (#209)

  • Overhaul of documentation page (#200 to #204)

  • Rename and add member variables (#197)

  • Fix/check estimator (#196)

  • fixed small typo in PCovR class documentation (#194)

  • Resolved Issue WHO dataset missing function call section in doc (#181, #192)

  • Speeding up tests (#190)

  • Removing kernel optimization from who example (#189)

  • Ignore rendered examples for linting (#188)

  • Add more infos on documentation landing pages & CODE_OF_CONDUCT (#186)

  • Add contributors pictures to README, show pip install instructions in docs (#185)

  • Add linting and tests for docstring and documentation code (#184)

  • Rerestructure requirements after (#171, #183)

  • Update README.md to show banners (#176)

  • Modernize package infrastructure (#172)

  • Add an example of GCH for molecular materials (#171)

  • Port examples to sphinx_gallery (#170)

0.1.4 (2023/03/14)#

  • documentation formatting fixes for math and datasets (#161, #163)

  • changing the way the distance to the convex hull is computed in the DirectionalConvexHull due to numerical issues with the old method (#165)

0.1.3 (2023/03/02)#

  • Refactor scikit-cosmo to scikit-matter (#157, #151)

  • Deprecation warning was added to link to renamed package (#154)

  • dropped Python <3.8 support, because we are now using scikit-learn version >=1.1.0 (#139, #146, #152)

  • WHO dataset and examples were added (#149)

  • nice dataset was added (#143)

  • overhaul of documentation (#142, #150)

  • added DirectionalConvexHull class (#140)

  • added test_precomputed_regression function to KPCovR (#136)

  • other bugfixes (#141, #148)

0.1.2 (2022/07/04)#

  • fixed a bug in the orthonormalization step of PCov-CUR (#118)

  • users can now initialize FPS selecting using a list of selected points, allowing to restart the selection in the middle (#116)

  • KPCovR is now able to use pre-fitted regressor in the same way that PCovR can (#113)

0.1.1 (2021/11/30)#

  • fixed a bug in the orthonormalization step of PCov-CUR (#118)

  • users can now initialize FPS selecting using a list of selected points, allowing to restart the selection in the middle (#116)

  • KPCovR is now able to use pre-fitted regressor in the same way that PCovR can (#113)

0.1.0 (2021/05/12)#

  • first release out of the lab