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[pull] master from SMTorg:master #21

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@pull pull bot added the ⤵️ pull label Jan 12, 2022
relf and others added 29 commits January 12, 2022 16:59
* Fix EI to accept 2D `y_data` as used in GEKPLS

* Add test for EI on 2D `y_data`. Simplified `ego.EI()` by removing the y_data argument - now `y_data` is read from the gpr, which is also contains the current values. Refactored training of gpr into private ego method.

* Relax ei_gek test assertion and ensure lowercase method names

* Relax ei_gek test assertion further. Tolerance should still be adequate for scope of test
* Manage clustered test data when specified

* Fix EGO EI change in doc example

* FIx naming and comment
* change warning messge from print to warnings.warn()

* remove warning formating
* Suppress packaging dependency

* Remove numpydoc and matplotlib from setup.py

* Update requirements.txt for tests

* Update requirements for doc gen (readthedocs)

* Use requirements in github actions
* Airfoil Parameters surrogate model example

* Format genn example for integration in SMT doc

* Fix references

Co-authored-by: Sônia Carreira <[email protected]>
Co-authored-by: raul-rufato <[email protected]>
* Make x dim checking customizable in subclass

* Make mgp use base predict methods

* Take into account MGP API change

* Update doc example

* Rename krg_mgp to mgp
* Update notebooks

Co-authored-by:  NatOnera <[email protected]>

* Re-declare n_comp in GEKPLS to default to 2

Co-authored-by: NatOnera <[email protected]>
…379)

* fix init: ss GOWER PLS

* change for d in cat kernel

* update needed for pred, almost there, I hope

* fixing

* moins d'appel à fitpls, n_comp doublon supprime, mis dans kpls,pb dx vs d for squar exp corrige

* ok for PLS cont + new matrix model

* add tests

* add gower_mat

* rhobeg

* delete GOWER and FULL_GAUSSIAN, add check_params

* pls homo hs bug with squar exp contiuous

* add verif for pls

* fix 1D PLS

* update names and docu (#41)

* black

* move matrix_data_corr (#43)

Co-authored-by: Paul-Saves <[email protected]>
Co-authored-by: Rémi Lafage <[email protected]>
* Add kriging sampling methods

* Add kriging sampling test

* Correct bug test_kriging_sampling_utils
* Move mixed_integer low level functions in utils

* Move kernel enum in kriging based

* Expose kernel and mixed integer enums as part of surrogate models API

* Take into account API change in tests

* Take into account API change in tutorial
…ar and quadratic trends (#389)

* add output derivative for abs_exp

* update for test'
'
* correct bug

* fix test gekpls

* delete div by 0

* add matern32 derivative

* add matern52 derivative

* add tests

* remove duplicate code

* clean code

* fix finally trends

* add a test to avoid further linear trend breaking

* black

* improve tests

* update test
* Update derivative predictions:

    Add vectorization tests and update the other tests (thanks to Inês Cardoso)

Clean EGO:

    Remove tunneling option.
    Add tests for qEI criteria and for SBO in EGO

* revert - Remove tunneling option.

* add tunelling tests
* update for numpy 1.24

* update ego for 1.24

* black

* trigger build
)

* test for num_range scaled to unit

* add xlimits as an option to correct gower distance bouds inconsistency

* fix test with 0 non categorical variables

* bug with action

* remove unused vars

* delete a redundant line and correct a pointer issue

* update X_cont

* fix an error and add a test for future detection

* black

* fixing EGO seed

* update ego

* update test

* delete the addition of starting optim points
relf and others added 30 commits October 18, 2024 18:06
* Remove smt_design_space_ext dependency

* Comment skipped tests
* update readme tuto

* update tutos

* ruff

* fix misc

* fix kernel applications

* update kernels
* fix smt-dse

* ruff

* fix import

* fix imports and doc

* Update notebook references

Signed-off-by: Emmanuel Ferdman <[email protected]>

* fix notebooks by emmanuel ferdman

* fix link

---------

Signed-off-by: Emmanuel Ferdman <[email protected]>
Co-authored-by: Emmanuel Ferdman <[email protected]>
* First implementations of the MFCK(ND 2 fidelity levels)

* Updates with the removal of blank lines, checked with ruff, test added

* Save changes to SMT_MFCK_tutorial.ipynb

* Bugs fixed respect to the HP optimization, MFCK tutorial and test added. Tested over ruff.

* Update over mfck file for pass ruff test

* Fixed files for pass the ruff test.

* Notebook moved to a folder named MFCK in tutorial folder

* Improvement in the tutorial notebook of MFCK

* Correction in MFCK predict, Addition of 3 level example in tutorial

* Add test for more code coverage in mfck.py, modification in mfck.py to avoid code that will not use in the tests

* Update for tutorial

* Fixing blank lines for pass ruff check

* Name for optimal theta changed

* optimal theta for mfck changed in notebook

* Tutorial MFCK updated

* Correction for ruff test

* Updtaes of the files following suggested changes, pending of revision

* Corrected version of MFCK, Adding option to optimize with nlopt if it's available

* Notebook updated
* Update kernel engineering notebooks

Co-authored-by: jomorlier <[email protected]>

* Linting

---------

Co-authored-by: jomorlier <[email protected]>
* Bump version 2.8

* Move MFCK notebook with MFK ones under MultiFi folder

* Add contributor

* Mention kriging output limitation in the doc
* Initial fix to comparison (Fixes #682 )

* Changed test cases reliant on lhs ese optimisation results

* Adding to contributors
* remove small variance warning

* fix commenté
Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.21.3 to 2.22.0.
- [Release notes](https://github.com/pypa/cibuildwheel/releases)
- [Changelog](https://github.com/pypa/cibuildwheel/blob/main/docs/changelog.md)
- [Commits](pypa/cibuildwheel@v2.21.3...v2.22.0)

---
updated-dependencies:
- dependency-name: pypa/cibuildwheel
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Co-authored-by: Rémi Lafage <[email protected]>
… outputs (#686)

* Add a warnings when multiple outputs are used to train a kriging based surrogate

* Test warning presence

* Adjust message
* new save and load functions for the surrogate models

* new save functions for the surrogates and identification of the necessary attributes for predict_values()

* final implementation of an save/load option for the surrogates with pickle

* better test's assertions

* ruff check modifications

* changes to validate the pull request
* Add the option to specify a seed for the Random sampling method

* Behaviour is controlled by the numpy version used

* Create unit tests

* Update doc with new option and add seed to test function to avoid to generete different image every time the doc is compiled

* Change authors order

---------

Co-authored-by: Enrico Stragiotti <[email protected]>
…#698)

* Add error calculation functions and tests

* rename of compute_rms_error() to compute_relative_error()

* changes for the validation of the pull request

* format tutorial with ruff

* rename functions
…riterion (#699)

* update notebook for sbo thanks to heine rostum
* Add adaptative doe notebooks

* Fix compute_relative_error and ruff


--
Co-authored-by: Maxime Lalande <[email protected]>
* Adding anisotropic Kernel computation and regularization option in the likelihood

* Fixing test

* Updates with the removal of blank lines, checked with ruff, test added

* Save changes to SMT_MFCK_tutorial.ipynb

* Organizing to merge branchs

* Formating files with ruff

* Formating files with ruff.

* Update Cobyla parameters

* Clean up
* Add save/load API documentation

* Fix titles underlining and typos

* Add contrived load method for API documentation

* Fix reference

* Fix design_space path, not in utils anymore

* Add smt-design-space-ext as required doc dependencies

* Fix typo

* Update .rst due to is_ri option and design_space move
* Bump version 2.9

* Bump egobox optional dependency

* Remove trailing space
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