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44 changes: 30 additions & 14 deletions doc/_src_docs/applications/ego.rst

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8 changes: 7 additions & 1 deletion doc/_src_docs/applications/ego.rstx
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Expand Up @@ -17,7 +17,7 @@ criterion) that determines what the next query point should be.
One of the earliest bodies of work on Bayesian optimisation that we are aware
of are [2]_ and [3]_. Kushner used Wiener processes for one-dimensional problems.
Kushner’s decision model was based on maximizing the probability of improvement, and included a
parameter that controlled the trade-off between more global and more local optimization, in
parameter that controlled the trade-off between 'more global' and 'more local' optimization, in
the same spirit as the Exploration/Exploitation trade-off.

Meanwhile, in the former Soviet Union, Mockus and colleagues developed a multidimensional
Expand Down Expand Up @@ -159,6 +159,10 @@ Beside the Expected Improvement, the implementation here offers two other infill
Regarding the parallel execution, one can implement specific multiprocessing by deriving the _Evaluator_ interface
and overriding the default implementation of the _run(fun, x)_ method. The default implementation simply runs _fun(x)_.

Regardless the others parameters, you can specify a mixed surrogate model to make mixed optimization. [8]_

You can penalize already evaluated point in EI via tunneling (not recommanded for high dimensional problems).


References
----------
Expand All @@ -177,6 +181,8 @@ References

.. [7] Roux, E. (2011). Assemblage mécanique: stratégies d'optimisation des procédés et d'identification des comportements mécaniques des matériaux (Doctoral dissertation).

.. [8] E.C. Garrido-Merchan and D. Hernandez-Lobato. Dealing with categorical and integer-valued variables in Bayesian Optimization with Gaussian processes. In:Neurocomputing 380 (2020), pages 20–35.

Usage
-----

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7 changes: 6 additions & 1 deletion doc/_src_docs/surrogate_models/kpls.rst

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93 changes: 92 additions & 1 deletion doc/_src_docs/surrogate_models/krg.rst

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25 changes: 25 additions & 0 deletions doc/_src_docs/surrogate_models/krg.rstx
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Expand Up @@ -27,11 +27,36 @@ More details about the kriging approach could be found in [1]_.

.. [1] Sacks, J. and Schiller, S. B. and Welch, W. J., Designs for computer experiments, Technometrics 31 (1) (1989) 41--47.


Kriging with mixed variables
^^^^^^^^^^^^^^^^^^^^^^^^^^^^

The goal is to be able to build a model for mixed variables.
This algorithm has been presented by Garrido-Merchán and Hernández-Lobato in 2020 [2]_.

To incorporate integer (with order relation) and categorical variables (with no order), we used continuous relaxation.
For integer, we add a continuous dimension with the same bounds and then we round in the prediction to the closer integer.
For categorical, we add as many continuous dimensions with bounds [0,1] as possible output values for the variable and then we round in the prediction to the output dimension giving the greatest continuous prediction.

More details avalaible here :
.. [2] E. C. Garrido-Merchán and D. Hernández-Lobato. “Dealing with categorical and integer-valued variables in Bayesian Optimization with Gaussian processes”. In:Neurocomputing380 (2020), pages 20–35.doi:10.1016/j.neucom.2019.11.004


Implementation Note
-------------------

The mixed variables are avalaible for all kriging models like KPLS or KPLSK but not to use with gradient.

Usage
-----

.. embed-test-print-plot :: smt.surrogate_models.tests.test_surrogate_model_examples , Test , test_krg , 80

Usage with parallel options
^^^^^^^^^^^^^^^^^^^^^^^^^^^

.. embed-test-print-plot :: smt.surrogate_models.tests.test_surrogate_model_examples , Test , test_krg_mixed , 80

Options
-------

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