From 6723aa034874bd3e8e18f0c5964f62c13486e651 Mon Sep 17 00:00:00 2001 From: kohlhaasrebecca <rebecca.kohlhaas@outlook.com> Date: Sat, 1 Jun 2024 12:23:12 +0200 Subject: [PATCH] Customized webpage design using sphinx. Webpage includes quickstart, user guide, tutorial, example collection and api. One new example was added for the user guide. --- docs/build/doctrees/environment.pickle | Bin 2961574 -> 2993872 bytes docs/build/doctrees/index.doctree | Bin 8061 -> 12488 bytes docs/build/doctrees/input_description.doctree | Bin 0 -> 22313 bytes .../build/doctrees/packagedescription.doctree | Bin 4630 -> 8137 bytes docs/build/doctrees/post_description.doctree | Bin 0 -> 2660 bytes .../doctrees/surrogate_description.doctree | Bin 0 -> 2510 bytes docs/build/doctrees/tutorial.doctree | Bin 53992 -> 53829 bytes docs/build/html/.buildinfo | 2 +- ...erence.bayes_inference.BayesInference.html | 76 +-- ...idrox.bayes_inference.bayes_inference.html | 76 +-- ...model_comparison.BayesModelComparison.html | 76 +-- ...ayes_inference.bayes_model_comparison.html | 76 +-- ...yes_inference.discrepancy.Discrepancy.html | 76 +-- ...svalidrox.bayes_inference.discrepancy.html | 76 +-- .../bayesvalidrox.bayes_inference.html | 76 +-- ...yesvalidrox.bayes_inference.mcmc.MCMC.html | 76 +-- ...rox.bayes_inference.mcmc.gelman_rubin.html | 76 +-- .../bayesvalidrox.bayes_inference.mcmc.html | 76 +-- .../html/_autosummary/bayesvalidrox.html | 76 +-- .../bayesvalidrox.post_processing.html | 76 +-- ...essing.post_processing.PostProcessing.html | 76 +-- ...idrox.post_processing.post_processing.html | 76 +-- .../_autosummary/bayesvalidrox.pylink.html | 76 +-- ...drox.pylink.pylink.PyLinkForwardModel.html | 76 +-- .../bayesvalidrox.pylink.pylink.html | 76 +-- ...esvalidrox.pylink.pylink.within_range.html | 76 +-- ....surrogate_models.adaptPlot.adaptPlot.html | 76 +-- ...esvalidrox.surrogate_models.adaptPlot.html | 76 +-- ...apoly_construction.apoly_construction.html | 76 +-- ...x.surrogate_models.apoly_construction.html | 76 +-- ...bayes_linear.BayesianLinearRegression.html | 76 +-- ...odels.bayes_linear.EBLinearRegression.html | 76 +-- ...odels.bayes_linear.VBLinearRegression.html | 76 +-- ...rogate_models.bayes_linear.gamma_mean.html | 76 +-- ...alidrox.surrogate_models.bayes_linear.html | 76 +-- ...lidrox.surrogate_models.engine.Engine.html | 76 +-- ...gate_models.engine.hellinger_distance.html | 76 +-- ...bayesvalidrox.surrogate_models.engine.html | 76 +-- ...lidrox.surrogate_models.engine.logpdf.html | 76 +-- ...rox.surrogate_models.engine.subdomain.html | 76 +-- ...te_models.eval_rec_rule.eval_rec_rule.html | 76 +-- ...eval_rec_rule.eval_rec_rule_arbitrary.html | 76 +-- ..._models.eval_rec_rule.eval_univ_basis.html | 76 +-- ...lidrox.surrogate_models.eval_rec_rule.html | 76 +-- ..._models.eval_rec_rule.poly_rec_coeffs.html | 76 +-- ...rrogate_models.exp_designs.ExpDesigns.html | 76 +-- ...ogate_models.exp_designs.check_ranges.html | 76 +-- ...validrox.surrogate_models.exp_designs.html | 76 +-- ...rogate_models.exploration.Exploration.html | 76 +-- ...validrox.surrogate_models.exploration.html | 76 +-- ...ogate_models.glexindex.cross_truncate.html | 76 +-- ....surrogate_models.glexindex.glexindex.html | 76 +-- ...esvalidrox.surrogate_models.glexindex.html | 76 +-- .../bayesvalidrox.surrogate_models.html | 76 +-- ...rrogate_models.input_space.InputSpace.html | 76 +-- ...validrox.surrogate_models.input_space.html | 76 +-- ...alidrox.surrogate_models.inputs.Input.html | 76 +-- ...drox.surrogate_models.inputs.Marginal.html | 76 +-- ...bayesvalidrox.surrogate_models.inputs.html | 76 +-- ...ing_pursuit.OrthogonalMatchingPursuit.html | 76 +-- ...dels.orthogonal_matching_pursuit.corr.html | 76 +-- ...te_models.orthogonal_matching_pursuit.html | 76 +-- ...models.reg_fast_ard.RegressionFastARD.html | 76 +-- ...alidrox.surrogate_models.reg_fast_ard.html | 76 +-- ...models.reg_fast_ard.update_precisions.html | 76 +-- ...eg_fast_laplace.RegressionFastLaplace.html | 76 +-- ...rox.surrogate_models.reg_fast_laplace.html | 76 +-- ...ate_models.surrogate_models.MetaModel.html | 76 +-- ...els.surrogate_models.corr_loocv_error.html | 76 +-- ...te_models.surrogate_models.create_psi.html | 76 +-- ...gate_models.gaussian_process_emulator.html | 76 +-- ...rox.surrogate_models.surrogate_models.html | 76 +-- docs/build/html/_sources/index.rst.txt | 41 +- .../html/_sources/input_description.rst.txt | 72 +++ .../html/_sources/packagedescription.rst.txt | 45 +- .../html/_sources/post_description.rst.txt | 2 + .../_sources/surrogate_description.rst.txt | 2 + docs/build/html/_sources/tutorial.rst.txt | 14 +- docs/build/html/_static/custom.css | 10 +- .../html/_static/documentation_options.js | 4 +- docs/build/html/analyticalfunction.html | 158 +++++- docs/build/html/api.html | 82 +-- docs/build/html/beam.html | 158 +++++- docs/build/html/borehole.html | 158 +++++- docs/build/html/examples.html | 158 +++++- docs/build/html/genindex.html | 152 +++--- docs/build/html/index.html | 157 ++++-- docs/build/html/input_description.html | 477 ++++++++++++++++++ docs/build/html/ishigami.html | 158 +++++- docs/build/html/modelcomparison.html | 158 +++++- docs/build/html/objects.inv | Bin 3609 -> 3486 bytes docs/build/html/ohaganfunction.html | 158 +++++- docs/build/html/packagedescription.html | 210 ++++++-- docs/build/html/pollution.html | 158 +++++- docs/build/html/post_description.html | 393 +++++++++++++++ docs/build/html/py-modindex.html | 76 +-- docs/build/html/search.html | 76 +-- docs/build/html/searchindex.js | 2 +- docs/build/html/surrogate_description.html | 393 +++++++++++++++ docs/build/html/tutorial.html | 173 +++++-- docs/diagrams/Structure_BayesInf.drawio | 62 +++ docs/diagrams/class_diagram.py | 160 ++++++ docs/diagrams/classinteraction.gv | 30 ++ docs/diagrams/input_classes.dot | 9 + docs/diagrams/inputdesign.gv | 9 + docs/source/_static/custom.css | 9 + docs/source/conf.py | 31 +- docs/source/index.rst | 41 +- docs/source/input_description.rst | 72 +++ docs/source/packagedescription.rst | 45 +- docs/source/post_description.rst | 2 + docs/source/surrogate_description.rst | 2 + docs/source/tutorial.rst | 14 +- .../analytical-function/classinteraction.gv | 44 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href="bayesvalidrox.surrogate_models.surrogate_models.corr_loocv_error.html">bayesvalidrox.surrogate_models.surrogate_models.corr_loocv_error</a></li> <li class="toctree-l5"><a class="reference internal" href="bayesvalidrox.surrogate_models.surrogate_models.create_psi.html">bayesvalidrox.surrogate_models.surrogate_models.create_psi</a></li> <li class="toctree-l5"><a class="reference internal" href="bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator.html">bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator</a></li> @@ -416,7 +430,7 @@ </aside> </div> -</div><script src="../_static/documentation_options.js?v=282f96c0"></script> +</div><script src="../_static/documentation_options.js?v=4ebf8126"></script> <script src="../_static/doctools.js?v=9a2dae69"></script> <script src="../_static/sphinx_highlight.js?v=dc90522c"></script> <script src="../_static/scripts/furo.js?v=32e29ea5"></script> diff --git a/docs/build/html/_sources/index.rst.txt b/docs/build/html/_sources/index.rst.txt index 7b707c7eb..028757fe8 100644 --- a/docs/build/html/_sources/index.rst.txt +++ b/docs/build/html/_sources/index.rst.txt @@ -1,22 +1,49 @@ .. bayesvalidrox documentation master file, created by sphinx-quickstart on Wed Dec 13 11:14:59 2023. - You can adapt this file completely to your liking, but it should at least - contain the root `toctree` directive. - + Surrogate-assisted Bayesian validation of computational models ============================================================== -**bayesvalidrox** is an open-source python package that provides methods for surrogate modeling, Bayesian inference and model comparison. - +**BayesValidRox** is an open-source python package that provides methods for surrogate modeling, Bayesian inference and model comparison. +.. image:: ../diagrams/balance.png + :width: 600 + :alt: Weighting model results against data with associated uncertainty, costs and sparsity + An introductory tutorial to the overall workflow with **bayesvalidrox** is provided in :any:`tutorial` and descriptions of the available examples can be found in :any:`examples`. The functionality and options for the different classes is described more in-depth in :any:`packagedescription` and a list of all the classes and functions is provided in :any:`api`. +Links +----- +* GitHub: https://git.iws.uni-stuttgart.de/inversemodeling/bayesvalidrox/-/tree/master?ref_type=heads +* PyPI: https://pypi.org/project/bayesvalidrox/ +* Documentation: + +#TODO Add other links -Contents +Installation +------------ +This package runs under Python 3.9 for versions <1.0.0 and 3.9+ from version 1.0.0 on, use pip to install: + $ pip install bayesvalidrox + +#TODO Note other needed installations and tips + +Quickstart +---------- +#TODO A minimal example to get people started + +See also -------- +#TODO Link other websites that are related to BVR + +License +------- +#TODO Note the License under which BVR is released + +Further contents +---------------- .. toctree:: - :maxdepth: 1 + :maxdepth: 2 tutorial examples diff --git a/docs/build/html/_sources/input_description.rst.txt b/docs/build/html/_sources/input_description.rst.txt new file mode 100644 index 000000000..27b97a81c --- /dev/null +++ b/docs/build/html/_sources/input_description.rst.txt @@ -0,0 +1,72 @@ +Priors, input space and experimental design +******************************************* +.. note:: + #TODO Write a short intro to uncertain inputs and sampling + +Input classes +============= +.. container:: twocol + + .. container:: leftside + + Four classes contained in bayesvalidrox are associated with the inputs: :any:`bayesvalidrox.surrogate_models.inputs.Marginal`, :any:`bayesvalidrox.surrogate_models.inputs.Input`, :any:`bayesvalidrox.surrogate_models.input_space.InputSpace` and :any:`bayesvalidrox.surrogate_models.exp_designs.ExpDesigns`. + + Uncertain parameters are specified via their marginal distributions in :any:`bayesvalidrox.surrogate_models.inputs.Marginal` objects as either distribution types with associated parameters, or via a set of realizations. + Supported distribution types include ``unif``, ``norm``, ``gamma``, ``beta``, ``lognorm``, ``expon`` and ``weibull``. + + All marginals contained in an :any:`bayesvalidrox.surrogate_models.inputs.Input` object should be defined in the same manner, mixing definitions via distribution type and sampels is not supported. + + If ``rosenblatt`` is set as ``True``, then a Rosenblatt transform will be applied for training the surrogate. + + .. container:: rightside + + .. image:: ../diagrams/input_classes.png + :width: 300 + :alt: UML for input-related classes in bayesvalidrox + +.. note:: + When using a polynomial-type surrogate setting ``rosenblatt`` to ``True`` results in all hermite polynomials. + If all uncertain parameters are specified as samples, the corresponding polynomials are automatically calculated following an aPCE. + + #TODO Recheck this second point! + +The :any:`bayesvalidrox.surrogate_models.input_space.InputSpace` checks the validity of the given marginals and builds the input space. +This includes sampling from the distributions and applying the Rosenblatt transform or an isoprobabilistic transformation. + +The :any:`bayesvalidrox.surrogate_models.input_space.InputSpace` is used mainly in the surrogate model. +The class :any:`bayesvalidrox.surrogate_models.exp_designs.ExpDesigns` additionally contains methods and attributes related to sampling from the input space for static and iterative training of the surrogate model. +Supported sampling methods include ``random``, ``latin-hypercube``, ``sobol``, ``halton``, ``hammersley``, ``chebyshev(FT)``, ``grid(FT)`` and ``user`` for user-defined sampling. + +The options for iterative metamodel training are detailed in :any:`surrogate_description`. + +Example +======= +In practice, only the classes :any:`bayesvalidrox.surrogate_models.inputs.Input` and :any:`bayesvalidrox.surrogate_models.exp_designs.ExpDesigns` are directly used. + +>>> from bayesvalidrox import Input, ExpDesign + +Marginals of uncertain parameters can be directly added and defined on an ``Input`` object. + +>>> Inputs = Input() + +If they are defined via distribution types, the ``name``, ``dist_type`` and ``parameters`` for the distribution should be set. + +>>> Inputs.add_marginals() +>>> Inputs.Marginals[0].name = '$X$' +>>> Inputs.Marginals[0].dist_type = 'unif' +>>> Inputs.Marginals[0].parameters = [-5, 5] + +If they are given via data, only ``name`` and ``input_data`` are relevant. + +>>> Inputs.add_marginals() +>>> Inputs.Marginals[0].name = '$X$' +>>> Inputs.Marginals[0].input_data = inputParams[:, 0] + +An experimental design can be constructed based on these inputs. + +>>> ExpDesign = ExpDesign(Inputs) + +Samples of the marginals can be created by specifying a sampling method and generating the wanted number of samples. + +>>> ExpDesign.sampling_method = 'latin_hypercube' +>>> samples = ExpDesign.generate_samples(100) \ No newline at end of file diff --git a/docs/build/html/_sources/packagedescription.rst.txt b/docs/build/html/_sources/packagedescription.rst.txt index c836d36fb..33f946690 100644 --- a/docs/build/html/_sources/packagedescription.rst.txt +++ b/docs/build/html/_sources/packagedescription.rst.txt @@ -1,13 +1,38 @@ -PACKAGE DESCRIPTION -******************* -The package **bayesvalidrox** is split into multiple topics corresponding to the folder structure of the package. -The folder `surrogate_models` contains all the functions and classes to set up the experimental design with priors and create and train the surrogate model. -The computational model is linked via *pylink*. -Postprocessing, Bayesian inference and Bayesian model comparison each also get their own section. +USER GUIDE +********** +Introductory theory +=================== +.. note:: + #TODO Introduced some of the used basic terms and notations here to prepare for the detailed descriptions of each part. -TODO: add image to show folder/file interconnection -Priors, experimental design and surrogates -========================================== -The package **bayesvalidrox** +Overview +======== +This package is split into multiple topics corresponding to the folder structure of the package. + + +.. image:: ../diagrams/folder_structure.png + :width: 600 + :alt: Folder structure of **bayesvalidrox** + +The folder `surrogate_models` contains all the functions and classes that are necessary in order to create and train the surrogate model. +This includes + +* defining the input marginals +* setting properties of the sampling in an experimental design +* choosing the surrogate model and its properties +* training the surrogate model on model evaluations in a straightforward or iterative manner + +The computational model is linked via a *pylink* interface. +We split this into the aspects :any:`input_description` and :any:`surrogate_description` to provide insight into the options available in bayesvalidrox. + +:any:`post_description` can be applied to trained surrogate models, or using the underlying models themselves. + + +.. toctree:: + :maxdepth: 1 + + input_description + surrogate_description + post_description diff --git a/docs/build/html/_sources/post_description.rst.txt b/docs/build/html/_sources/post_description.rst.txt new file mode 100644 index 000000000..9950c8cf9 --- /dev/null +++ b/docs/build/html/_sources/post_description.rst.txt @@ -0,0 +1,2 @@ +Postprocessing, Bayesian inference and Bayesian model comparison +**************************************************************** \ No newline at end of file diff --git a/docs/build/html/_sources/surrogate_description.rst.txt b/docs/build/html/_sources/surrogate_description.rst.txt new file mode 100644 index 000000000..676b73ba6 --- /dev/null +++ b/docs/build/html/_sources/surrogate_description.rst.txt @@ -0,0 +1,2 @@ +Training surrogate models +************************* \ No newline at end of file diff --git a/docs/build/html/_sources/tutorial.rst.txt b/docs/build/html/_sources/tutorial.rst.txt index 03d5a7462..468c50adc 100644 --- a/docs/build/html/_sources/tutorial.rst.txt +++ b/docs/build/html/_sources/tutorial.rst.txt @@ -14,7 +14,7 @@ Import necessary libraries Define the model with PyLinkForwardModel ---------------------------------------- -We use the :py:class:`bayesvalidrox.pylink.pylink.PyLinkForwardModel` object to define the model. +We use the :any:`bayesvalidrox.pylink.pylink.PyLinkForwardModel` object to define the model. >>> from bayesvalidrox import PyLinkForwardModel >>> Model = PyLinkForwardModel() @@ -94,7 +94,7 @@ Here we show both options, the associated example :any:`analyticalfunction` read Define surrogate (meta) model ----------------------------- -In **bayesvalidrox** a metamodel is an object of class :py:class:`bayesvalidrox.surrogate_models.surrogate_models.MetaModel`. +In **bayesvalidrox** a metamodel is an object of class :any:`bayesvalidrox.surrogate_models.surrogate_models.MetaModel`. This object also accepts the inputs we defined in the previous section as an argument. @@ -147,7 +147,7 @@ Various sampling methods are available, and the samples can also be given by the Train the surrogate with an engine ---------------------------------- Training is done by giving the model, experimental design and the surrogate model to an engine, which performs the training for us. -The engine is of class :py:class:`bayesvalidrox.surrogate_models.engine.Engine`. +The engine is of class :any:`bayesvalidrox.surrogate_models.engine.Engine`. >>> engine = Engine(MetaModelOpts, Model, ExpDesign) @@ -232,7 +232,7 @@ For calculating and plotting the validation error of the surrogate in each itera >>> ExpDesign.valid_samples = prior[:500] >>> ExpDesign.valid_model_runs = {'Z': prior_outputs[:500]} -The sequential training is again performed by the class :py:class:`bayesvalidrox.surrogate_models.engine.Engine`, but using the function `train_sequential`. +The sequential training is again performed by the class :any:`bayesvalidrox.surrogate_models.engine.Engine`, but using the function ``train_sequential``. >>> engine.ExpDesign = ExpDesign >>> engine.train_sequential() @@ -241,8 +241,8 @@ The sequential training is again performed by the class :py:class:`bayesvalidrox Post-processing --------------- -The available post-processing methods for **bayesvalidrox** are given in the class :py:class:`bayesvalidrox.post_processing.post_processing.PostProcessing`. -All results created by this class are automatically stored in an output-folder ``Outputs_PostProcessing_*modelname``. +The available post-processing methods for **bayesvalidrox** are given in the class :any:`bayesvalidrox.post_processing.post_processing.PostProcessing`. +All results created by this class are automatically stored in an output folder ``Outputs_PostProcessing_*modelname``. >>> from bayesvalidrox import PostProcessing >>> PostPCE = PostProcessing(engine) @@ -270,7 +270,7 @@ The method ``sobolIndicesPCE`` returns a dictionary that contains the total sobo Bayesian Inference ------------------ -Inverse parameter estimation can be done in **bayesvalidrox** with the class :py:class:`bayesvalidrox.bayes_inf.bayes_inf.BayesInference`. +Inverse parameter estimation can be done in **bayesvalidrox** with the class :any:`bayesvalidrox.bayes_inference.bayes_inference.BayesInference`. >>> from bayesvalidrox import BayesInference >>> BayesOpts = BayesInference(engine) diff --git a/docs/build/html/_static/custom.css b/docs/build/html/_static/custom.css index 2a924f1d6..9a890582e 100644 --- a/docs/build/html/_static/custom.css +++ b/docs/build/html/_static/custom.css @@ -1 +1,9 @@ -/* This file intentionally left blank. */ +div.leftside { + width: 60%; + padding: 0px 3px 0px 0px; + float: left; +} + +div.rightside { + margin-left: 62%; +} \ No newline at end of file diff --git a/docs/build/html/_static/documentation_options.js b/docs/build/html/_static/documentation_options.js index 9c6d3573f..1675f3b58 100644 --- a/docs/build/html/_static/documentation_options.js +++ b/docs/build/html/_static/documentation_options.js @@ -1,5 +1,5 @@ const DOCUMENTATION_OPTIONS = { - VERSION: '0.0.5', + VERSION: '1.0.0', LANGUAGE: 'en', COLLAPSE_INDEX: false, BUILDER: 'html', @@ -7,7 +7,7 @@ const DOCUMENTATION_OPTIONS = { LINK_SUFFIX: '.html', HAS_SOURCE: true, SOURCELINK_SUFFIX: '.txt', - NAVIGATION_WITH_KEYS: false, + NAVIGATION_WITH_KEYS: true, SHOW_SEARCH_SUMMARY: true, ENABLE_SEARCH_SHORTCUTS: true, }; \ No newline at end of file diff --git a/docs/build/html/analyticalfunction.html b/docs/build/html/analyticalfunction.html index da441eaef..bc4fc92c6 100644 --- a/docs/build/html/analyticalfunction.html +++ b/docs/build/html/analyticalfunction.html @@ -6,10 +6,11 @@ <link rel="index" title="Index" href="genindex.html" /><link rel="search" title="Search" href="search.html" /><link rel="next" title="Example: beam" href="beam.html" /><link rel="prev" title="EXAMPLES" href="examples.html" /> <!-- Generated with Sphinx 7.3.7 and Furo 2023.09.10 --> - <title>Example: Analytical function - bayesvalidrox 0.0.5 documentation</title> + <title>Example: Analytical function - bayesvalidrox 1.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=362ab14a" /> <link rel="stylesheet" type="text/css" href="_static/styles/furo.css?v=135e06be" /> <link rel="stylesheet" type="text/css" href="_static/styles/furo-extensions.css?v=36a5483c" /> + <link rel="stylesheet" type="text/css" href="_static/custom.css?v=da48c412" /> @@ -18,18 +19,24 @@ body { --color-code-background: #f8f8f8; --color-code-foreground: black; + --color-brand-primary: #5663a1; + --color-brand-content: #5663a1; } @media not print { body[data-theme="dark"] { --color-code-background: #202020; --color-code-foreground: #d0d0d0; + --color-brand-primary: #9bb4e3; + --color-brand-content: #9bb4e3; } @media (prefers-color-scheme: dark) { body:not([data-theme="light"]) 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href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.create_psi.html">bayesvalidrox.surrogate_models.surrogate_models.create_psi</a></li> +<li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator.html">bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator</a></li> +<li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.MetaModel.html">bayesvalidrox.surrogate_models.surrogate_models.MetaModel</a></li> +</ul> +</li> +</ul> +</li> +</ul> +</li> </ul> </li> </ul> @@ -443,7 +553,7 @@ input file can be linked with the bayesvalidrox package.</p> </aside> </div> -</div><script src="_static/documentation_options.js?v=282f96c0"></script> +</div><script src="_static/documentation_options.js?v=4ebf8126"></script> <script src="_static/doctools.js?v=9a2dae69"></script> <script 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href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.html">bayesvalidrox.surrogate_models.surrogate_models</a><input class="toctree-checkbox" id="toctree-checkbox-28" name="toctree-checkbox-28" role="switch" type="checkbox"/><label for="toctree-checkbox-28"><div class="visually-hidden">Toggle navigation of bayesvalidrox.surrogate_models.surrogate_models</div><i class="icon"><svg><use href="#svg-arrow-right"></use></svg></i></label><ul> <li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.corr_loocv_error.html">bayesvalidrox.surrogate_models.surrogate_models.corr_loocv_error</a></li> <li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.create_psi.html">bayesvalidrox.surrogate_models.surrogate_models.create_psi</a></li> <li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator.html">bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator</a></li> @@ -418,28 +432,28 @@ bayesvalidrox.bayes_inference.bayes_inference <ul> - <li><a href="_autosummary/bayesvalidrox.bayes_inference.bayes_inference.html#module-bayesvalidrox.bayes_inference.bayes_inference">module</a>, <a href="generated/bayesvalidrox.bayes_inference.bayes_inference.html#module-bayesvalidrox.bayes_inference.bayes_inference">[1]</a> + <li><a href="_autosummary/bayesvalidrox.bayes_inference.bayes_inference.html#module-bayesvalidrox.bayes_inference.bayes_inference">module</a> </li> </ul></li> <li> bayesvalidrox.bayes_inference.bayes_model_comparison <ul> - <li><a href="_autosummary/bayesvalidrox.bayes_inference.bayes_model_comparison.html#module-bayesvalidrox.bayes_inference.bayes_model_comparison">module</a>, <a href="generated/bayesvalidrox.bayes_inference.bayes_model_comparison.html#module-bayesvalidrox.bayes_inference.bayes_model_comparison">[1]</a> + <li><a href="_autosummary/bayesvalidrox.bayes_inference.bayes_model_comparison.html#module-bayesvalidrox.bayes_inference.bayes_model_comparison">module</a> </li> </ul></li> <li> bayesvalidrox.bayes_inference.discrepancy <ul> - <li><a href="_autosummary/bayesvalidrox.bayes_inference.discrepancy.html#module-bayesvalidrox.bayes_inference.discrepancy">module</a>, <a href="generated/bayesvalidrox.bayes_inference.discrepancy.html#module-bayesvalidrox.bayes_inference.discrepancy">[1]</a> + <li><a href="_autosummary/bayesvalidrox.bayes_inference.discrepancy.html#module-bayesvalidrox.bayes_inference.discrepancy">module</a> </li> </ul></li> <li> bayesvalidrox.bayes_inference.mcmc <ul> - <li><a href="_autosummary/bayesvalidrox.bayes_inference.mcmc.html#module-bayesvalidrox.bayes_inference.mcmc">module</a>, <a href="generated/bayesvalidrox.bayes_inference.mcmc.html#module-bayesvalidrox.bayes_inference.mcmc">[1]</a> + <li><a href="_autosummary/bayesvalidrox.bayes_inference.mcmc.html#module-bayesvalidrox.bayes_inference.mcmc">module</a> </li> </ul></li> <li> @@ -453,7 +467,7 @@ bayesvalidrox.post_processing.post_processing <ul> - <li><a href="_autosummary/bayesvalidrox.post_processing.post_processing.html#module-bayesvalidrox.post_processing.post_processing">module</a>, <a href="generated/bayesvalidrox.post_processing.post_processing.html#module-bayesvalidrox.post_processing.post_processing">[1]</a> + <li><a href="_autosummary/bayesvalidrox.post_processing.post_processing.html#module-bayesvalidrox.post_processing.post_processing">module</a> </li> </ul></li> <li> @@ -467,7 +481,7 @@ bayesvalidrox.pylink.pylink <ul> - <li><a href="_autosummary/bayesvalidrox.pylink.pylink.html#module-bayesvalidrox.pylink.pylink">module</a>, <a href="generated/bayesvalidrox.pylink.pylink.html#module-bayesvalidrox.pylink.pylink">[1]</a> + <li><a href="_autosummary/bayesvalidrox.pylink.pylink.html#module-bayesvalidrox.pylink.pylink">module</a> </li> </ul></li> <li> @@ -481,14 +495,14 @@ bayesvalidrox.surrogate_models.adaptPlot <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.adaptPlot.html#module-bayesvalidrox.surrogate_models.adaptPlot">module</a>, <a href="generated/bayesvalidrox.surrogate_models.adaptPlot.html#module-bayesvalidrox.surrogate_models.adaptPlot">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.adaptPlot.html#module-bayesvalidrox.surrogate_models.adaptPlot">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.apoly_construction <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.apoly_construction.html#module-bayesvalidrox.surrogate_models.apoly_construction">module</a>, <a href="generated/bayesvalidrox.surrogate_models.apoly_construction.html#module-bayesvalidrox.surrogate_models.apoly_construction">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.apoly_construction.html#module-bayesvalidrox.surrogate_models.apoly_construction">module</a> </li> </ul></li> </ul></td> @@ -497,42 +511,42 @@ bayesvalidrox.surrogate_models.bayes_linear <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.bayes_linear.html#module-bayesvalidrox.surrogate_models.bayes_linear">module</a>, <a href="generated/bayesvalidrox.surrogate_models.bayes_linear.html#module-bayesvalidrox.surrogate_models.bayes_linear">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.bayes_linear.html#module-bayesvalidrox.surrogate_models.bayes_linear">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.engine <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.engine.html#module-bayesvalidrox.surrogate_models.engine">module</a>, <a href="generated/bayesvalidrox.surrogate_models.engine.html#module-bayesvalidrox.surrogate_models.engine">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.engine.html#module-bayesvalidrox.surrogate_models.engine">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.eval_rec_rule <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.eval_rec_rule.html#module-bayesvalidrox.surrogate_models.eval_rec_rule">module</a>, <a href="generated/bayesvalidrox.surrogate_models.eval_rec_rule.html#module-bayesvalidrox.surrogate_models.eval_rec_rule">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.eval_rec_rule.html#module-bayesvalidrox.surrogate_models.eval_rec_rule">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.exp_designs <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.exp_designs.html#module-bayesvalidrox.surrogate_models.exp_designs">module</a>, <a href="generated/bayesvalidrox.surrogate_models.exp_designs.html#module-bayesvalidrox.surrogate_models.exp_designs">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.exp_designs.html#module-bayesvalidrox.surrogate_models.exp_designs">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.exploration <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.exploration.html#module-bayesvalidrox.surrogate_models.exploration">module</a>, <a href="generated/bayesvalidrox.surrogate_models.exploration.html#module-bayesvalidrox.surrogate_models.exploration">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.exploration.html#module-bayesvalidrox.surrogate_models.exploration">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.glexindex <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.glexindex.html#module-bayesvalidrox.surrogate_models.glexindex">module</a>, <a href="generated/bayesvalidrox.surrogate_models.glexindex.html#module-bayesvalidrox.surrogate_models.glexindex">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.glexindex.html#module-bayesvalidrox.surrogate_models.glexindex">module</a> </li> </ul></li> <li> @@ -546,35 +560,35 @@ bayesvalidrox.surrogate_models.inputs <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.inputs.html#module-bayesvalidrox.surrogate_models.inputs">module</a>, <a href="generated/bayesvalidrox.surrogate_models.inputs.html#module-bayesvalidrox.surrogate_models.inputs">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.inputs.html#module-bayesvalidrox.surrogate_models.inputs">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.orthogonal_matching_pursuit <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.orthogonal_matching_pursuit.html#module-bayesvalidrox.surrogate_models.orthogonal_matching_pursuit">module</a>, <a href="generated/bayesvalidrox.surrogate_models.orthogonal_matching_pursuit.html#module-bayesvalidrox.surrogate_models.orthogonal_matching_pursuit">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.orthogonal_matching_pursuit.html#module-bayesvalidrox.surrogate_models.orthogonal_matching_pursuit">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.reg_fast_ard <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.reg_fast_ard.html#module-bayesvalidrox.surrogate_models.reg_fast_ard">module</a>, <a href="generated/bayesvalidrox.surrogate_models.reg_fast_ard.html#module-bayesvalidrox.surrogate_models.reg_fast_ard">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.reg_fast_ard.html#module-bayesvalidrox.surrogate_models.reg_fast_ard">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.reg_fast_laplace <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.reg_fast_laplace.html#module-bayesvalidrox.surrogate_models.reg_fast_laplace">module</a>, <a href="generated/bayesvalidrox.surrogate_models.reg_fast_laplace.html#module-bayesvalidrox.surrogate_models.reg_fast_laplace">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.reg_fast_laplace.html#module-bayesvalidrox.surrogate_models.reg_fast_laplace">module</a> </li> </ul></li> <li> bayesvalidrox.surrogate_models.surrogate_models <ul> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.html#module-bayesvalidrox.surrogate_models.surrogate_models">module</a>, <a href="generated/bayesvalidrox.surrogate_models.surrogate_models.html#module-bayesvalidrox.surrogate_models.surrogate_models">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.html#module-bayesvalidrox.surrogate_models.surrogate_models">module</a> </li> </ul></li> <li><a href="_autosummary/bayesvalidrox.surrogate_models.orthogonal_matching_pursuit.OrthogonalMatchingPursuit.html#bayesvalidrox.surrogate_models.orthogonal_matching_pursuit.OrthogonalMatchingPursuit.blockwise_inverse">blockwise_inverse() (bayesvalidrox.surrogate_models.orthogonal_matching_pursuit.OrthogonalMatchingPursuit method)</a> @@ -865,51 +879,51 @@ </li> <li><a href="_autosummary/bayesvalidrox.bayes_inference.html#module-bayesvalidrox.bayes_inference">bayesvalidrox.bayes_inference</a> </li> - <li><a href="_autosummary/bayesvalidrox.bayes_inference.bayes_inference.html#module-bayesvalidrox.bayes_inference.bayes_inference">bayesvalidrox.bayes_inference.bayes_inference</a>, <a href="generated/bayesvalidrox.bayes_inference.bayes_inference.html#module-bayesvalidrox.bayes_inference.bayes_inference">[1]</a> + <li><a href="_autosummary/bayesvalidrox.bayes_inference.bayes_inference.html#module-bayesvalidrox.bayes_inference.bayes_inference">bayesvalidrox.bayes_inference.bayes_inference</a> </li> - <li><a href="_autosummary/bayesvalidrox.bayes_inference.bayes_model_comparison.html#module-bayesvalidrox.bayes_inference.bayes_model_comparison">bayesvalidrox.bayes_inference.bayes_model_comparison</a>, <a href="generated/bayesvalidrox.bayes_inference.bayes_model_comparison.html#module-bayesvalidrox.bayes_inference.bayes_model_comparison">[1]</a> + <li><a href="_autosummary/bayesvalidrox.bayes_inference.bayes_model_comparison.html#module-bayesvalidrox.bayes_inference.bayes_model_comparison">bayesvalidrox.bayes_inference.bayes_model_comparison</a> </li> - <li><a href="_autosummary/bayesvalidrox.bayes_inference.discrepancy.html#module-bayesvalidrox.bayes_inference.discrepancy">bayesvalidrox.bayes_inference.discrepancy</a>, <a href="generated/bayesvalidrox.bayes_inference.discrepancy.html#module-bayesvalidrox.bayes_inference.discrepancy">[1]</a> + <li><a href="_autosummary/bayesvalidrox.bayes_inference.discrepancy.html#module-bayesvalidrox.bayes_inference.discrepancy">bayesvalidrox.bayes_inference.discrepancy</a> </li> - <li><a href="_autosummary/bayesvalidrox.bayes_inference.mcmc.html#module-bayesvalidrox.bayes_inference.mcmc">bayesvalidrox.bayes_inference.mcmc</a>, <a href="generated/bayesvalidrox.bayes_inference.mcmc.html#module-bayesvalidrox.bayes_inference.mcmc">[1]</a> + <li><a href="_autosummary/bayesvalidrox.bayes_inference.mcmc.html#module-bayesvalidrox.bayes_inference.mcmc">bayesvalidrox.bayes_inference.mcmc</a> </li> <li><a href="_autosummary/bayesvalidrox.post_processing.html#module-bayesvalidrox.post_processing">bayesvalidrox.post_processing</a> </li> - <li><a href="_autosummary/bayesvalidrox.post_processing.post_processing.html#module-bayesvalidrox.post_processing.post_processing">bayesvalidrox.post_processing.post_processing</a>, <a href="generated/bayesvalidrox.post_processing.post_processing.html#module-bayesvalidrox.post_processing.post_processing">[1]</a> + <li><a href="_autosummary/bayesvalidrox.post_processing.post_processing.html#module-bayesvalidrox.post_processing.post_processing">bayesvalidrox.post_processing.post_processing</a> </li> <li><a href="_autosummary/bayesvalidrox.pylink.html#module-bayesvalidrox.pylink">bayesvalidrox.pylink</a> </li> - <li><a href="_autosummary/bayesvalidrox.pylink.pylink.html#module-bayesvalidrox.pylink.pylink">bayesvalidrox.pylink.pylink</a>, <a href="generated/bayesvalidrox.pylink.pylink.html#module-bayesvalidrox.pylink.pylink">[1]</a> + <li><a href="_autosummary/bayesvalidrox.pylink.pylink.html#module-bayesvalidrox.pylink.pylink">bayesvalidrox.pylink.pylink</a> </li> <li><a href="_autosummary/bayesvalidrox.surrogate_models.html#module-bayesvalidrox.surrogate_models">bayesvalidrox.surrogate_models</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.adaptPlot.html#module-bayesvalidrox.surrogate_models.adaptPlot">bayesvalidrox.surrogate_models.adaptPlot</a>, <a href="generated/bayesvalidrox.surrogate_models.adaptPlot.html#module-bayesvalidrox.surrogate_models.adaptPlot">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.adaptPlot.html#module-bayesvalidrox.surrogate_models.adaptPlot">bayesvalidrox.surrogate_models.adaptPlot</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.apoly_construction.html#module-bayesvalidrox.surrogate_models.apoly_construction">bayesvalidrox.surrogate_models.apoly_construction</a>, <a href="generated/bayesvalidrox.surrogate_models.apoly_construction.html#module-bayesvalidrox.surrogate_models.apoly_construction">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.apoly_construction.html#module-bayesvalidrox.surrogate_models.apoly_construction">bayesvalidrox.surrogate_models.apoly_construction</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.bayes_linear.html#module-bayesvalidrox.surrogate_models.bayes_linear">bayesvalidrox.surrogate_models.bayes_linear</a>, <a href="generated/bayesvalidrox.surrogate_models.bayes_linear.html#module-bayesvalidrox.surrogate_models.bayes_linear">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.bayes_linear.html#module-bayesvalidrox.surrogate_models.bayes_linear">bayesvalidrox.surrogate_models.bayes_linear</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.engine.html#module-bayesvalidrox.surrogate_models.engine">bayesvalidrox.surrogate_models.engine</a>, <a href="generated/bayesvalidrox.surrogate_models.engine.html#module-bayesvalidrox.surrogate_models.engine">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.engine.html#module-bayesvalidrox.surrogate_models.engine">bayesvalidrox.surrogate_models.engine</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.eval_rec_rule.html#module-bayesvalidrox.surrogate_models.eval_rec_rule">bayesvalidrox.surrogate_models.eval_rec_rule</a>, <a href="generated/bayesvalidrox.surrogate_models.eval_rec_rule.html#module-bayesvalidrox.surrogate_models.eval_rec_rule">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.eval_rec_rule.html#module-bayesvalidrox.surrogate_models.eval_rec_rule">bayesvalidrox.surrogate_models.eval_rec_rule</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.exp_designs.html#module-bayesvalidrox.surrogate_models.exp_designs">bayesvalidrox.surrogate_models.exp_designs</a>, <a href="generated/bayesvalidrox.surrogate_models.exp_designs.html#module-bayesvalidrox.surrogate_models.exp_designs">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.exp_designs.html#module-bayesvalidrox.surrogate_models.exp_designs">bayesvalidrox.surrogate_models.exp_designs</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.exploration.html#module-bayesvalidrox.surrogate_models.exploration">bayesvalidrox.surrogate_models.exploration</a>, <a href="generated/bayesvalidrox.surrogate_models.exploration.html#module-bayesvalidrox.surrogate_models.exploration">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.exploration.html#module-bayesvalidrox.surrogate_models.exploration">bayesvalidrox.surrogate_models.exploration</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.glexindex.html#module-bayesvalidrox.surrogate_models.glexindex">bayesvalidrox.surrogate_models.glexindex</a>, <a href="generated/bayesvalidrox.surrogate_models.glexindex.html#module-bayesvalidrox.surrogate_models.glexindex">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.glexindex.html#module-bayesvalidrox.surrogate_models.glexindex">bayesvalidrox.surrogate_models.glexindex</a> </li> <li><a href="_autosummary/bayesvalidrox.surrogate_models.input_space.html#module-bayesvalidrox.surrogate_models.input_space">bayesvalidrox.surrogate_models.input_space</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.inputs.html#module-bayesvalidrox.surrogate_models.inputs">bayesvalidrox.surrogate_models.inputs</a>, <a href="generated/bayesvalidrox.surrogate_models.inputs.html#module-bayesvalidrox.surrogate_models.inputs">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.inputs.html#module-bayesvalidrox.surrogate_models.inputs">bayesvalidrox.surrogate_models.inputs</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.orthogonal_matching_pursuit.html#module-bayesvalidrox.surrogate_models.orthogonal_matching_pursuit">bayesvalidrox.surrogate_models.orthogonal_matching_pursuit</a>, <a href="generated/bayesvalidrox.surrogate_models.orthogonal_matching_pursuit.html#module-bayesvalidrox.surrogate_models.orthogonal_matching_pursuit">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.orthogonal_matching_pursuit.html#module-bayesvalidrox.surrogate_models.orthogonal_matching_pursuit">bayesvalidrox.surrogate_models.orthogonal_matching_pursuit</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.reg_fast_ard.html#module-bayesvalidrox.surrogate_models.reg_fast_ard">bayesvalidrox.surrogate_models.reg_fast_ard</a>, <a href="generated/bayesvalidrox.surrogate_models.reg_fast_ard.html#module-bayesvalidrox.surrogate_models.reg_fast_ard">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.reg_fast_ard.html#module-bayesvalidrox.surrogate_models.reg_fast_ard">bayesvalidrox.surrogate_models.reg_fast_ard</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.reg_fast_laplace.html#module-bayesvalidrox.surrogate_models.reg_fast_laplace">bayesvalidrox.surrogate_models.reg_fast_laplace</a>, <a href="generated/bayesvalidrox.surrogate_models.reg_fast_laplace.html#module-bayesvalidrox.surrogate_models.reg_fast_laplace">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.reg_fast_laplace.html#module-bayesvalidrox.surrogate_models.reg_fast_laplace">bayesvalidrox.surrogate_models.reg_fast_laplace</a> </li> - <li><a href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.html#module-bayesvalidrox.surrogate_models.surrogate_models">bayesvalidrox.surrogate_models.surrogate_models</a>, <a href="generated/bayesvalidrox.surrogate_models.surrogate_models.html#module-bayesvalidrox.surrogate_models.surrogate_models">[1]</a> + <li><a href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.html#module-bayesvalidrox.surrogate_models.surrogate_models">bayesvalidrox.surrogate_models.surrogate_models</a> </li> </ul></li> </ul></td> @@ -1228,7 +1242,7 @@ </aside> </div> -</div><script src="_static/documentation_options.js?v=282f96c0"></script> +</div><script src="_static/documentation_options.js?v=4ebf8126"></script> <script src="_static/doctools.js?v=9a2dae69"></script> <script src="_static/sphinx_highlight.js?v=dc90522c"></script> <script src="_static/scripts/furo.js?v=32e29ea5"></script> diff --git a/docs/build/html/index.html b/docs/build/html/index.html index af514a6bf..e3e61aa8f 100644 --- a/docs/build/html/index.html +++ b/docs/build/html/index.html @@ -6,10 +6,11 @@ <link rel="index" title="Index" href="genindex.html" /><link rel="search" title="Search" href="search.html" /><link rel="next" title="TUTORIAL" href="tutorial.html" /> <!-- Generated with Sphinx 7.3.7 and Furo 2023.09.10 --> - <title>bayesvalidrox 0.0.5 documentation</title> + <title>bayesvalidrox 1.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=362ab14a" /> <link rel="stylesheet" type="text/css" href="_static/styles/furo.css?v=135e06be" /> <link rel="stylesheet" type="text/css" href="_static/styles/furo-extensions.css?v=36a5483c" /> + <link rel="stylesheet" type="text/css" href="_static/custom.css?v=3c2b257a" /> @@ -18,18 +19,24 @@ body { --color-code-background: #f8f8f8; --color-code-foreground: black; + --color-brand-primary: #5663a1; + --color-brand-content: #5663a1; } @media not print { body[data-theme="dark"] { --color-code-background: #202020; --color-code-foreground: #d0d0d0; + --color-brand-primary: #9bb4e3; + --color-brand-content: #9bb4e3; } @media (prefers-color-scheme: dark) { body:not([data-theme="light"]) { --color-code-background: #202020; --color-code-foreground: #d0d0d0; + --color-brand-primary: #9bb4e3; + --color-brand-content: #9bb4e3; } } @@ -123,7 +130,7 @@ </label> </div> <div class="header-center"> - <a href="#"><div class="brand">bayesvalidrox 0.0.5 documentation</div></a> + <a href="#"><div class="brand">bayesvalidrox 1.0.0 documentation</div></a> </div> <div class="header-right"> <div class="theme-toggle-container 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href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.html">bayesvalidrox.surrogate_models.surrogate_models</a><input class="toctree-checkbox" id="toctree-checkbox-28" name="toctree-checkbox-28" role="switch" type="checkbox"/><label for="toctree-checkbox-28"><div class="visually-hidden">Toggle navigation of bayesvalidrox.surrogate_models.surrogate_models</div><i class="icon"><svg><use href="#svg-arrow-right"></use></svg></i></label><ul> <li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.corr_loocv_error.html">bayesvalidrox.surrogate_models.surrogate_models.corr_loocv_error</a></li> <li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.create_psi.html">bayesvalidrox.surrogate_models.surrogate_models.create_psi</a></li> <li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator.html">bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator</a></li> @@ -320,17 +334,75 @@ <article role="main"> <section id="surrogate-assisted-bayesian-validation-of-computational-models"> <h1>Surrogate-assisted Bayesian validation of computational models<a class="headerlink" href="#surrogate-assisted-bayesian-validation-of-computational-models" title="Link to this heading">¶</a></h1> -<p><strong>bayesvalidrox</strong> is an open-source python package that provides methods for surrogate modeling, Bayesian inference and model comparison.</p> +<p><strong>BayesValidRox</strong> is an open-source python package that provides methods for surrogate modeling, Bayesian inference and model comparison.</p> +<a class="reference internal image-reference" href="_images/balance.png"><img alt="Weighting model results against data with associated uncertainty, costs and sparsity" src="_images/balance.png" style="width: 600px;" /></a> <p>An introductory tutorial to the overall workflow with <strong>bayesvalidrox</strong> is provided in <a class="reference internal" href="tutorial.html"><span class="doc">TUTORIAL</span></a> and descriptions of the available examples can be found in <a class="reference internal" href="examples.html"><span class="doc">EXAMPLES</span></a>. -The functionality and options for the different classes is described more in-depth in <a class="reference internal" href="packagedescription.html"><span class="doc">PACKAGE DESCRIPTION</span></a> and a list of all the classes and functions is provided in <a class="reference internal" href="api.html"><span class="doc">API</span></a>.</p> -<section id="contents"> -<h2>Contents<a class="headerlink" href="#contents" title="Link to this heading">¶</a></h2> +The functionality and options for the different classes is described more in-depth in <a class="reference internal" href="packagedescription.html"><span class="doc">USER GUIDE</span></a> and a list of all the classes and functions is provided in <a class="reference internal" href="api.html"><span class="doc">API</span></a>.</p> +<section id="links"> +<h2>Links<a class="headerlink" href="#links" title="Link to this heading">¶</a></h2> +<ul class="simple"> +<li><p>GitHub: <a class="reference external" href="https://git.iws.uni-stuttgart.de/inversemodeling/bayesvalidrox/-/tree/master?ref_type=heads">https://git.iws.uni-stuttgart.de/inversemodeling/bayesvalidrox/-/tree/master?ref_type=heads</a></p></li> +<li><p>PyPI: <a class="reference external" href="https://pypi.org/project/bayesvalidrox/">https://pypi.org/project/bayesvalidrox/</a></p></li> +<li><p>Documentation:</p></li> +</ul> +<p>#TODO Add other links</p> +</section> +<section id="installation"> +<h2>Installation<a class="headerlink" href="#installation" title="Link to this heading">¶</a></h2> +<dl class="simple"> +<dt>This package runs under Python 3.9 for versions <1.0.0 and 3.9+ from version 1.0.0 on, use pip to install:</dt><dd><p>$ pip install bayesvalidrox</p> +</dd> +</dl> +<p>#TODO Note other needed installations and tips</p> +</section> +<section id="quickstart"> +<h2>Quickstart<a class="headerlink" href="#quickstart" title="Link to this heading">¶</a></h2> +<p>#TODO A minimal example to get people started</p> +</section> +<section id="see-also"> +<h2>See also<a class="headerlink" href="#see-also" title="Link to this heading">¶</a></h2> +<p>#TODO Link other websites that are related to BVR</p> +</section> +<section id="license"> +<h2>License<a class="headerlink" href="#license" title="Link to this heading">¶</a></h2> +<p>#TODO Note the License under which BVR is released</p> +</section> +<section id="further-contents"> +<h2>Further contents<a class="headerlink" href="#further-contents" title="Link to this heading">¶</a></h2> <div class="toctree-wrapper compound"> <ul> -<li class="toctree-l1"><a class="reference internal" href="tutorial.html">TUTORIAL</a></li> -<li class="toctree-l1"><a class="reference internal" href="examples.html">EXAMPLES</a></li> -<li class="toctree-l1"><a class="reference internal" href="packagedescription.html">PACKAGE DESCRIPTION</a></li> -<li class="toctree-l1"><a class="reference internal" href="api.html">API</a></li> +<li class="toctree-l1"><a class="reference internal" href="tutorial.html">TUTORIAL</a><ul> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#import-necessary-libraries">Import necessary libraries</a></li> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#define-the-model-with-pylinkforwardmodel">Define the model with PyLinkForwardModel</a></li> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#define-probabilistic-input-model">Define probabilistic input model</a></li> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#define-surrogate-meta-model">Define surrogate (meta) model</a></li> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#set-the-experimental-design">Set the experimental design</a></li> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#train-the-surrogate-with-an-engine">Train the surrogate with an engine</a></li> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#sequential-training">Sequential training</a></li> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#post-processing">Post-processing</a></li> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#bayesian-inference">Bayesian Inference</a></li> +<li class="toctree-l2"><a class="reference internal" href="tutorial.html#define-the-data-uncertainty">Define the data uncertainty</a></li> +</ul> +</li> +<li class="toctree-l1"><a class="reference internal" href="examples.html">EXAMPLES</a><ul> +<li class="toctree-l2"><a class="reference internal" href="analyticalfunction.html">Analytical function</a></li> +<li class="toctree-l2"><a class="reference internal" href="beam.html">Beam</a></li> +<li class="toctree-l2"><a class="reference internal" href="borehole.html">Borehole</a></li> +<li class="toctree-l2"><a class="reference internal" href="ishigami.html">Ishigami</a></li> +<li class="toctree-l2"><a class="reference internal" href="modelcomparison.html">Model comparison</a></li> +<li class="toctree-l2"><a class="reference internal" href="ohaganfunction.html">OHagan-function</a></li> +<li class="toctree-l2"><a class="reference internal" href="pollution.html">Pollution</a></li> +</ul> +</li> +<li class="toctree-l1"><a class="reference internal" href="packagedescription.html">USER GUIDE</a><ul> +<li class="toctree-l2"><a class="reference internal" href="packagedescription.html#introductory-theory">Introductory theory</a></li> +<li class="toctree-l2"><a class="reference internal" href="packagedescription.html#overview">Overview</a></li> +</ul> +</li> +<li class="toctree-l1"><a class="reference internal" href="api.html">API</a><ul> +<li class="toctree-l2"><a class="reference internal" href="_autosummary/bayesvalidrox.html">bayesvalidrox</a></li> +</ul> +</li> </ul> </div> </section> @@ -390,7 +462,12 @@ The functionality and options for the different classes is described more in-dep <div class="toc-tree"> <ul> <li><a class="reference internal" href="#">Surrogate-assisted Bayesian validation of computational models</a><ul> -<li><a class="reference internal" href="#contents">Contents</a></li> +<li><a class="reference internal" href="#links">Links</a></li> +<li><a class="reference internal" href="#installation">Installation</a></li> +<li><a class="reference internal" href="#quickstart">Quickstart</a></li> +<li><a class="reference internal" href="#see-also">See also</a></li> +<li><a class="reference internal" href="#license">License</a></li> +<li><a class="reference internal" href="#further-contents">Further contents</a></li> </ul> </li> <li><a class="reference internal" href="#indices-and-tables">Indices and tables</a></li> @@ -403,7 +480,7 @@ The functionality and options for the different classes is described more in-dep </aside> </div> -</div><script src="_static/documentation_options.js?v=282f96c0"></script> +</div><script src="_static/documentation_options.js?v=4ebf8126"></script> <script src="_static/doctools.js?v=9a2dae69"></script> <script src="_static/sphinx_highlight.js?v=dc90522c"></script> <script src="_static/scripts/furo.js?v=32e29ea5"></script> diff --git a/docs/build/html/input_description.html b/docs/build/html/input_description.html new file mode 100644 index 000000000..a652a5a36 --- /dev/null +++ b/docs/build/html/input_description.html @@ -0,0 +1,477 @@ +<!doctype html> +<html class="no-js" lang="en" data-content_root="./"> + <head><meta charset="utf-8"/> + <meta name="viewport" content="width=device-width,initial-scale=1"/> + 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href="_autosummary/bayesvalidrox.surrogate_models.inputs.Marginal.html#bayesvalidrox.surrogate_models.inputs.Marginal" title="bayesvalidrox.surrogate_models.inputs.Marginal"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.inputs.Marginal</span></code></a>, <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.inputs.Input.html#bayesvalidrox.surrogate_models.inputs.Input" title="bayesvalidrox.surrogate_models.inputs.Input"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.inputs.Input</span></code></a>, <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.input_space.InputSpace.html#bayesvalidrox.surrogate_models.input_space.InputSpace" title="bayesvalidrox.surrogate_models.input_space.InputSpace"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.input_space.InputSpace</span></code></a> and <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.exp_designs.ExpDesigns.html#bayesvalidrox.surrogate_models.exp_designs.ExpDesigns" title="bayesvalidrox.surrogate_models.exp_designs.ExpDesigns"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.exp_designs.ExpDesigns</span></code></a>.</p> +<p>Uncertain parameters are specified via their marginal distributions in <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.inputs.Marginal.html#bayesvalidrox.surrogate_models.inputs.Marginal" title="bayesvalidrox.surrogate_models.inputs.Marginal"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.inputs.Marginal</span></code></a> objects as either distribution types with associated parameters, or via a set of realizations. +Supported distribution types include <code class="docutils literal notranslate"><span class="pre">unif</span></code>, <code class="docutils literal notranslate"><span class="pre">norm</span></code>, <code class="docutils literal notranslate"><span class="pre">gamma</span></code>, <code class="docutils literal notranslate"><span class="pre">beta</span></code>, <code class="docutils literal notranslate"><span class="pre">lognorm</span></code>, <code class="docutils literal notranslate"><span class="pre">expon</span></code> and <code class="docutils literal notranslate"><span class="pre">weibull</span></code>.</p> +<p>All marginals contained in an <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.inputs.Input.html#bayesvalidrox.surrogate_models.inputs.Input" title="bayesvalidrox.surrogate_models.inputs.Input"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.inputs.Input</span></code></a> object should be defined in the same manner, mixing definitions via distribution type and sampels is not supported.</p> +<p>If <code class="docutils literal notranslate"><span class="pre">rosenblatt</span></code> is set as <code class="docutils literal notranslate"><span class="pre">True</span></code>, then a Rosenblatt transform will be applied for training the surrogate.</p> +</div> +<div class="rightside docutils container"> +<a class="reference internal image-reference" href="_images/input_classes.png"><img alt="UML for input-related classes in bayesvalidrox" src="_images/input_classes.png" style="width: 300px;" /></a> +</div> +</div> +<div class="admonition note"> +<p class="admonition-title">Note</p> +<p>When using a polynomial-type surrogate setting <code class="docutils literal notranslate"><span class="pre">rosenblatt</span></code> to <code class="docutils literal notranslate"><span class="pre">True</span></code> results in all hermite polynomials. +If all uncertain parameters are specified as samples, the corresponding polynomials are automatically calculated following an aPCE.</p> +<p>#TODO Recheck this second point!</p> +</div> +<p>The <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.input_space.InputSpace.html#bayesvalidrox.surrogate_models.input_space.InputSpace" title="bayesvalidrox.surrogate_models.input_space.InputSpace"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.input_space.InputSpace</span></code></a> checks the validity of the given marginals and builds the input space. +This includes sampling from the distributions and applying the Rosenblatt transform or an isoprobabilistic transformation.</p> +<p>The <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.input_space.InputSpace.html#bayesvalidrox.surrogate_models.input_space.InputSpace" title="bayesvalidrox.surrogate_models.input_space.InputSpace"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.input_space.InputSpace</span></code></a> is used mainly in the surrogate model. +The class <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.exp_designs.ExpDesigns.html#bayesvalidrox.surrogate_models.exp_designs.ExpDesigns" title="bayesvalidrox.surrogate_models.exp_designs.ExpDesigns"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.exp_designs.ExpDesigns</span></code></a> additionally contains methods and attributes related to sampling from the input space for static and iterative training of the surrogate model. +Supported sampling methods include <code class="docutils literal notranslate"><span class="pre">random</span></code>, <code class="docutils literal notranslate"><span class="pre">latin-hypercube</span></code>, <code class="docutils literal notranslate"><span class="pre">sobol</span></code>, <code class="docutils literal notranslate"><span class="pre">halton</span></code>, <code class="docutils literal notranslate"><span class="pre">hammersley</span></code>, <code class="docutils literal notranslate"><span class="pre">chebyshev(FT)</span></code>, <code class="docutils literal notranslate"><span class="pre">grid(FT)</span></code> and <code class="docutils literal notranslate"><span class="pre">user</span></code> for user-defined sampling.</p> +<p>The options for iterative metamodel training are detailed in <a class="reference internal" href="surrogate_description.html"><span class="doc">Training surrogate models</span></a>.</p> +</section> +<section id="example"> +<h2>Example<a class="headerlink" href="#example" title="Link to this heading">¶</a></h2> +<p>In practice, only the classes <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.inputs.Input.html#bayesvalidrox.surrogate_models.inputs.Input" title="bayesvalidrox.surrogate_models.inputs.Input"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.inputs.Input</span></code></a> and <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.exp_designs.ExpDesigns.html#bayesvalidrox.surrogate_models.exp_designs.ExpDesigns" title="bayesvalidrox.surrogate_models.exp_designs.ExpDesigns"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.exp_designs.ExpDesigns</span></code></a> are directly used.</p> +<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="kn">from</span> <span class="nn">bayesvalidrox</span> <span class="kn">import</span> <span class="n">Input</span><span class="p">,</span> <span class="n">ExpDesign</span> +</pre></div> +</div> +<p>Marginals of uncertain parameters can be directly added and defined on an <code class="docutils literal notranslate"><span class="pre">Input</span></code> object.</p> +<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">Inputs</span> <span class="o">=</span> <span class="n">Input</span><span class="p">()</span> +</pre></div> +</div> +<p>If they are defined via distribution types, the <code class="docutils literal notranslate"><span class="pre">name</span></code>, <code class="docutils literal notranslate"><span class="pre">dist_type</span></code> and <code class="docutils literal notranslate"><span class="pre">parameters</span></code> for the distribution should be set.</p> +<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">Inputs</span><span class="o">.</span><span class="n">add_marginals</span><span class="p">()</span> +<span class="gp">>>> </span><span class="n">Inputs</span><span class="o">.</span><span class="n">Marginals</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">name</span> <span class="o">=</span> <span class="s1">'$X$'</span> +<span class="gp">>>> </span><span class="n">Inputs</span><span class="o">.</span><span class="n">Marginals</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">dist_type</span> <span class="o">=</span> <span class="s1">'unif'</span> +<span class="gp">>>> </span><span class="n">Inputs</span><span class="o">.</span><span class="n">Marginals</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">parameters</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="mi">5</span><span class="p">,</span> <span class="mi">5</span><span class="p">]</span> +</pre></div> +</div> +<p>If they are given via data, only <code class="docutils literal notranslate"><span class="pre">name</span></code> and <code class="docutils literal notranslate"><span class="pre">input_data</span></code> are relevant.</p> +<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">Inputs</span><span class="o">.</span><span class="n">add_marginals</span><span class="p">()</span> +<span class="gp">>>> </span><span class="n">Inputs</span><span class="o">.</span><span class="n">Marginals</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">name</span> <span class="o">=</span> <span class="s1">'$X$'</span> +<span class="gp">>>> </span><span class="n">Inputs</span><span class="o">.</span><span class="n">Marginals</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">input_data</span> <span class="o">=</span> <span class="n">inputParams</span><span class="p">[:,</span> <span class="mi">0</span><span class="p">]</span> +</pre></div> +</div> +<p>An experimental design can be constructed based on these inputs.</p> +<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">ExpDesign</span> <span class="o">=</span> <span class="n">ExpDesign</span><span class="p">(</span><span class="n">Inputs</span><span class="p">)</span> +</pre></div> +</div> +<p>Samples of the marginals can be created by specifying a sampling method and generating the wanted number of samples.</p> +<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">ExpDesign</span><span class="o">.</span><span class="n">sampling_method</span> <span class="o">=</span> <span class="s1">'latin_hypercube'</span> +<span class="gp">>>> </span><span class="n">samples</span> <span class="o">=</span> <span class="n">ExpDesign</span><span class="o">.</span><span class="n">generate_samples</span><span class="p">(</span><span class="mi">100</span><span class="p">)</span> +</pre></div> +</div> +</section> +</section> + + </article> + </div> + <footer> + + <div class="related-pages"> + <a class="next-page" href="surrogate_description.html"> + <div class="page-info"> + <div class="context"> + <span>Next</span> + </div> + <div class="title">Training surrogate models</div> + </div> + <svg class="furo-related-icon"><use href="#svg-arrow-right"></use></svg> + </a> + <a class="prev-page" href="packagedescription.html"> + <svg class="furo-related-icon"><use href="#svg-arrow-right"></use></svg> + <div class="page-info"> + <div class="context"> + <span>Previous</span> + </div> + + <div class="title">PACKAGE DESCRIPTION</div> + + </div> + </a> + </div> + <div class="bottom-of-page"> + <div class="left-details"> + <div class="copyright"> + Copyright © 2023, Farid Mohammadi, 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b/docs/build/html/ohaganfunction.html index dc01ada17..9b8c9ca92 100644 --- a/docs/build/html/ohaganfunction.html +++ b/docs/build/html/ohaganfunction.html @@ -6,10 +6,11 @@ <link rel="index" title="Index" href="genindex.html" /><link rel="search" title="Search" href="search.html" /><link rel="next" title="Example: pollution" href="pollution.html" /><link rel="prev" title="Example: model comparison" href="modelcomparison.html" /> <!-- Generated with Sphinx 7.3.7 and Furo 2023.09.10 --> - <title>Example: OHagan-function - bayesvalidrox 0.0.5 documentation</title> + <title>Example: OHagan-function - bayesvalidrox 1.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=362ab14a" /> <link rel="stylesheet" type="text/css" href="_static/styles/furo.css?v=135e06be" /> <link rel="stylesheet" type="text/css" href="_static/styles/furo-extensions.css?v=36a5483c" /> + <link rel="stylesheet" type="text/css" href="_static/custom.css?v=da48c412" /> @@ -18,18 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href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.MetaModel.html">bayesvalidrox.surrogate_models.surrogate_models.MetaModel</a></li> +</ul> +</li> +</ul> +</li> +</ul> +</li> </ul> </li> </ul> @@ -222,16 +332,37 @@ </label> </div> <article role="main"> - <section id="package-description"> -<h1>PACKAGE DESCRIPTION<a class="headerlink" href="#package-description" title="Link to this heading">¶</a></h1> -<p>The package <strong>bayesvalidrox</strong> is split into multiple topics corresponding to the folder structure of the package. -The folder <cite>surrogate_models</cite> contains all the functions and classes to set up the experimental design with priors and create and train the surrogate model. -The computational model is linked via <em>pylink</em>. -Postprocessing, Bayesian inference and Bayesian model comparison each also get their own section.</p> -<p>TODO: add image to show folder/file interconnection</p> -<section id="priors-experimental-design-and-surrogates"> -<h2>Priors, experimental design and surrogates<a class="headerlink" href="#priors-experimental-design-and-surrogates" title="Link to this heading">¶</a></h2> -<p>The package <strong>bayesvalidrox</strong></p> + <section id="user-guide"> +<h1>USER GUIDE<a class="headerlink" href="#user-guide" title="Link to this heading">¶</a></h1> +<section id="introductory-theory"> +<h2>Introductory theory<a class="headerlink" href="#introductory-theory" title="Link to this heading">¶</a></h2> +<div class="admonition note"> +<p class="admonition-title">Note</p> +<p>#TODO Introduced some of the used basic terms and notations here to prepare for the detailed descriptions of each part.</p> +</div> +</section> +<section id="overview"> +<h2>Overview<a class="headerlink" href="#overview" title="Link to this heading">¶</a></h2> +<p>This package is split into multiple topics corresponding to the folder structure of the package.</p> +<a class="reference internal image-reference" href="_images/folder_structure.png"><img alt="Folder structure of **bayesvalidrox**" src="_images/folder_structure.png" style="width: 600px;" /></a> +<p>The folder <cite>surrogate_models</cite> contains all the functions and classes that are necessary in order to create and train the surrogate model. +This includes</p> +<ul class="simple"> +<li><p>defining the input marginals</p></li> +<li><p>setting properties of the sampling in an experimental design</p></li> +<li><p>choosing the surrogate model and its properties</p></li> +<li><p>training the surrogate model on model evaluations in a straightforward or iterative manner</p></li> +</ul> +<p>The computational model is linked via a <em>pylink</em> interface. +We split this into the aspects <a class="reference internal" href="input_description.html"><span class="doc">Priors, input space and experimental design</span></a> and <a class="reference internal" href="surrogate_description.html"><span class="doc">Training surrogate models</span></a> to provide insight into the options available in bayesvalidrox.</p> +<p><a class="reference internal" href="post_description.html"><span class="doc">Postprocessing, Bayesian inference and Bayesian model comparison</span></a> can be applied to trained surrogate models, or using the underlying models themselves.</p> +<div class="toctree-wrapper compound"> +<ul> +<li class="toctree-l1"><a class="reference internal" href="input_description.html">Priors, input space and experimental design</a></li> +<li class="toctree-l1"><a class="reference internal" href="surrogate_description.html">Training surrogate models</a></li> +<li class="toctree-l1"><a class="reference internal" href="post_description.html">Postprocessing, Bayesian inference and Bayesian model comparison</a></li> +</ul> +</div> </section> </section> @@ -240,12 +371,12 @@ Postprocessing, Bayesian inference and Bayesian model comparison each also get t <footer> <div class="related-pages"> - <a class="next-page" href="api.html"> + <a class="next-page" href="input_description.html"> <div class="page-info"> <div class="context"> <span>Next</span> </div> - <div class="title">API</div> + <div class="title">Priors, input space and experimental design</div> </div> <svg class="furo-related-icon"><use href="#svg-arrow-right"></use></svg> </a> @@ -290,8 +421,9 @@ Postprocessing, Bayesian inference and Bayesian model comparison each also get t <div class="toc-tree-container"> <div class="toc-tree"> <ul> -<li><a class="reference internal" href="#">PACKAGE DESCRIPTION</a><ul> -<li><a class="reference internal" href="#priors-experimental-design-and-surrogates">Priors, experimental design and surrogates</a></li> +<li><a class="reference internal" href="#">USER GUIDE</a><ul> +<li><a class="reference internal" href="#introductory-theory">Introductory theory</a></li> +<li><a class="reference internal" href="#overview">Overview</a></li> </ul> </li> </ul> @@ -303,7 +435,7 @@ Postprocessing, Bayesian inference and Bayesian model comparison each also get t </aside> </div> -</div><script src="_static/documentation_options.js?v=282f96c0"></script> +</div><script src="_static/documentation_options.js?v=4ebf8126"></script> <script src="_static/doctools.js?v=9a2dae69"></script> <script src="_static/sphinx_highlight.js?v=dc90522c"></script> <script src="_static/scripts/furo.js?v=32e29ea5"></script> diff --git a/docs/build/html/pollution.html b/docs/build/html/pollution.html index cf2e6354f..8f462043f 100644 --- a/docs/build/html/pollution.html +++ b/docs/build/html/pollution.html @@ -6,10 +6,11 @@ <link rel="index" title="Index" href="genindex.html" /><link rel="search" title="Search" href="search.html" /><link rel="next" title="PACKAGE DESCRIPTION" href="packagedescription.html" /><link rel="prev" title="Example: OHagan-function" href="ohaganfunction.html" /> <!-- Generated with Sphinx 7.3.7 and Furo 2023.09.10 --> - <title>Example: pollution - bayesvalidrox 0.0.5 documentation</title> + <title>Example: pollution - bayesvalidrox 1.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=362ab14a" /> <link rel="stylesheet" type="text/css" href="_static/styles/furo.css?v=135e06be" /> <link rel="stylesheet" type="text/css" href="_static/styles/furo-extensions.css?v=36a5483c" /> + <link rel="stylesheet" type="text/css" href="_static/custom.css?v=da48c412" /> @@ -18,18 +19,24 @@ body { --color-code-background: #f8f8f8; --color-code-foreground: black; + --color-brand-primary: #5663a1; + --color-brand-content: #5663a1; } @media not print { body[data-theme="dark"] { --color-code-background: #202020; --color-code-foreground: #d0d0d0; + --color-brand-primary: #9bb4e3; + --color-brand-content: #9bb4e3; } @media (prefers-color-scheme: dark) { body:not([data-theme="light"]) { --color-code-background: #202020; --color-code-foreground: #d0d0d0; + --color-brand-primary: #9bb4e3; + --color-brand-content: #9bb4e3; } } @@ -123,7 +130,7 @@ </label> </div> <div class="header-center"> - <a href="index.html"><div class="brand">bayesvalidrox 0.0.5 documentation</div></a> + <a href="index.html"><div class="brand">bayesvalidrox 1.0.0 documentation</div></a> </div> <div class="header-right"> <div class="theme-toggle-container theme-toggle-header"> @@ -145,8 +152,10 @@ <div class="sidebar-sticky"><a class="sidebar-brand" href="index.html"> + <div class="sidebar-logo-container"> + <img class="sidebar-logo" src="_static/BVRLogoV03_shorttext.png" alt="Logo"/> + </div> - <span class="sidebar-brand-text">bayesvalidrox 0.0.5 documentation</span> </a><form class="sidebar-search-container" method="get" action="search.html" role="search"> <input class="sidebar-search" placeholder="Search" name="q" aria-label="Search"> @@ -166,26 +175,127 @@ <li class="toctree-l2 current current-page"><a class="current reference internal" href="#">Pollution</a></li> </ul> </li> -<li class="toctree-l1"><a class="reference internal" 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href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.corr_loocv_error.html">bayesvalidrox.surrogate_models.surrogate_models.corr_loocv_error</a></li> +<li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.create_psi.html">bayesvalidrox.surrogate_models.surrogate_models.create_psi</a></li> +<li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator.html">bayesvalidrox.surrogate_models.surrogate_models.gaussian_process_emulator</a></li> +<li class="toctree-l5"><a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.MetaModel.html">bayesvalidrox.surrogate_models.surrogate_models.MetaModel</a></li> +</ul> +</li> +</ul> +</li> +</ul> +</li> </ul> </li> </ul> @@ -240,7 +349,7 @@ The full code can be found in <code class="xref py py-mod docutils literal notra </section> <section id="define-the-model-with-pylinkforwardmodel"> <h2>Define the model with PyLinkForwardModel<a class="headerlink" href="#define-the-model-with-pylinkforwardmodel" title="Link to this heading">¶</a></h2> -<p>We use the <code class="xref py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.pylink.pylink.PyLinkForwardModel</span></code> object to define the model.</p> +<p>We use the <a class="reference internal" href="_autosummary/bayesvalidrox.pylink.pylink.PyLinkForwardModel.html#bayesvalidrox.pylink.pylink.PyLinkForwardModel" title="bayesvalidrox.pylink.pylink.PyLinkForwardModel"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.pylink.pylink.PyLinkForwardModel</span></code></a> object to define the model.</p> <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="kn">from</span> <span class="nn">bayesvalidrox</span> <span class="kn">import</span> <span class="n">PyLinkForwardModel</span> <span class="gp">>>> </span><span class="n">Model</span> <span class="o">=</span> <span class="n">PyLinkForwardModel</span><span class="p">()</span> </pre></div> @@ -318,7 +427,7 @@ Here we show both options, the associated example <a class="reference internal" </section> <section id="define-surrogate-meta-model"> <h2>Define surrogate (meta) model<a class="headerlink" href="#define-surrogate-meta-model" title="Link to this heading">¶</a></h2> -<p>In <strong>bayesvalidrox</strong> a metamodel is an object of class <code class="xref py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.surrogate_models.MetaModel</span></code>. +<p>In <strong>bayesvalidrox</strong> a metamodel is an object of class <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.surrogate_models.MetaModel.html#bayesvalidrox.surrogate_models.surrogate_models.MetaModel" title="bayesvalidrox.surrogate_models.surrogate_models.MetaModel"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.surrogate_models.MetaModel</span></code></a>. This object also accepts the inputs we defined in the previous section as an argument.</p> <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="kn">from</span> <span class="nn">bayesvalidrox</span> <span class="kn">import</span> <span class="n">MetaModel</span> <span class="gp">>>> </span><span class="n">MetaModelOpts</span> <span class="o">=</span> <span class="n">MetaModel</span><span class="p">(</span><span class="n">Inputs</span><span class="p">)</span> @@ -364,7 +473,7 @@ Various sampling methods are available, and the samples can also be given by the <section id="train-the-surrogate-with-an-engine"> <h2>Train the surrogate with an engine<a class="headerlink" href="#train-the-surrogate-with-an-engine" title="Link to this heading">¶</a></h2> <p>Training is done by giving the model, experimental design and the surrogate model to an engine, which performs the training for us. -The engine is of class <code class="xref py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.engine.Engine</span></code>.</p> +The engine is of class <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.engine.Engine.html#bayesvalidrox.surrogate_models.engine.Engine" title="bayesvalidrox.surrogate_models.engine.Engine"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.engine.Engine</span></code></a>.</p> <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">engine</span> <span class="o">=</span> <span class="n">Engine</span><span class="p">(</span><span class="n">MetaModelOpts</span><span class="p">,</span> <span class="n">Model</span><span class="p">,</span> <span class="n">ExpDesign</span><span class="p">)</span> </pre></div> </div> @@ -447,7 +556,7 @@ with standard deviations that are as large as the values themselves.</p> <span class="gp">>>> </span><span class="n">ExpDesign</span><span class="o">.</span><span class="n">valid_model_runs</span> <span class="o">=</span> <span class="p">{</span><span class="s1">'Z'</span><span class="p">:</span> <span class="n">prior_outputs</span><span class="p">[:</span><span class="mi">500</span><span class="p">]}</span> </pre></div> </div> -<p>The sequential training is again performed by the class <code class="xref py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.engine.Engine</span></code>, but using the function <cite>train_sequential</cite>.</p> +<p>The sequential training is again performed by the class <a class="reference internal" href="_autosummary/bayesvalidrox.surrogate_models.engine.Engine.html#bayesvalidrox.surrogate_models.engine.Engine" title="bayesvalidrox.surrogate_models.engine.Engine"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.surrogate_models.engine.Engine</span></code></a>, but using the function <code class="docutils literal notranslate"><span class="pre">train_sequential</span></code>.</p> <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">engine</span><span class="o">.</span><span class="n">ExpDesign</span> <span class="o">=</span> <span class="n">ExpDesign</span> <span class="gp">>>> </span><span class="n">engine</span><span class="o">.</span><span class="n">train_sequential</span><span class="p">()</span> </pre></div> @@ -455,8 +564,8 @@ with standard deviations that are as large as the values themselves.</p> </section> <section id="post-processing"> <h2>Post-processing<a class="headerlink" href="#post-processing" title="Link to this heading">¶</a></h2> -<p>The available post-processing methods for <strong>bayesvalidrox</strong> are given in the class <code class="xref py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.post_processing.post_processing.PostProcessing</span></code>. -All results created by this class are automatically stored in an output-folder <code class="docutils literal notranslate"><span class="pre">Outputs_PostProcessing_*modelname</span></code>.</p> +<p>The available post-processing methods for <strong>bayesvalidrox</strong> are given in the class <a class="reference internal" href="_autosummary/bayesvalidrox.post_processing.post_processing.PostProcessing.html#bayesvalidrox.post_processing.post_processing.PostProcessing" title="bayesvalidrox.post_processing.post_processing.PostProcessing"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.post_processing.post_processing.PostProcessing</span></code></a>. +All results created by this class are automatically stored in an output folder <code class="docutils literal notranslate"><span class="pre">Outputs_PostProcessing_*modelname</span></code>.</p> <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="kn">from</span> <span class="nn">bayesvalidrox</span> <span class="kn">import</span> <span class="n">PostProcessing</span> <span class="gp">>>> </span><span class="n">PostPCE</span> <span class="o">=</span> <span class="n">PostProcessing</span><span class="p">(</span><span class="n">engine</span><span class="p">)</span> </pre></div> @@ -484,7 +593,7 @@ The method <code class="docutils literal notranslate"><span class="pre">sobolInd </section> <section id="bayesian-inference"> <h2>Bayesian Inference<a class="headerlink" href="#bayesian-inference" title="Link to this heading">¶</a></h2> -<p>Inverse parameter estimation can be done in <strong>bayesvalidrox</strong> with the class <code class="xref py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.bayes_inf.bayes_inf.BayesInference</span></code>.</p> +<p>Inverse parameter estimation can be done in <strong>bayesvalidrox</strong> with the class <a class="reference internal" href="_autosummary/bayesvalidrox.bayes_inference.bayes_inference.BayesInference.html#bayesvalidrox.bayes_inference.bayes_inference.BayesInference" title="bayesvalidrox.bayes_inference.bayes_inference.BayesInference"><code class="xref any py py-class docutils literal notranslate"><span class="pre">bayesvalidrox.bayes_inference.bayes_inference.BayesInference</span></code></a>.</p> <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="kn">from</span> <span class="nn">bayesvalidrox</span> <span class="kn">import</span> <span class="n">BayesInference</span> <span class="gp">>>> </span><span class="n">BayesOpts</span> <span class="o">=</span> <span class="n">BayesInference</span><span class="p">(</span><span class="n">engine</span><span class="p">)</span> </pre></div> @@ -652,7 +761,7 @@ plots of posterior predictions if wanted.</p> </aside> </div> -</div><script src="_static/documentation_options.js?v=282f96c0"></script> +</div><script src="_static/documentation_options.js?v=4ebf8126"></script> <script src="_static/doctools.js?v=9a2dae69"></script> <script src="_static/sphinx_highlight.js?v=dc90522c"></script> <script src="_static/scripts/furo.js?v=32e29ea5"></script> diff --git a/docs/diagrams/Structure_BayesInf.drawio b/docs/diagrams/Structure_BayesInf.drawio index 9b17d9d5b..2d09a2660 100644 --- a/docs/diagrams/Structure_BayesInf.drawio +++ b/docs/diagrams/Structure_BayesInf.drawio @@ -1,4 +1,8 @@ +<<<<<<< HEAD <mxfile host="Electron" modified="2024-06-18T07:12:09.100Z" agent="Mozilla/5.0 (Windows NT 10.0; Win64; x64) AppleWebKit/537.36 (KHTML, like Gecko) draw.io/22.1.11 Chrome/114.0.5735.289 Electron/25.9.8 Safari/537.36" etag="dgkMr5ndYbfarfYCxNMZ" version="22.1.11" type="device" 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width="160" height="50" as="geometry" /> +>>>>>>> 32b0e925 (Customized webpage design, started on user guide) + </mxCell> + <mxCell id="7mrnjeITseIOZdqzYI7M-1" value="bayesvalidrox" style="text;html=1;strokeColor=none;fillColor=none;align=center;verticalAlign=middle;whiteSpace=wrap;rounded=0;" vertex="1" parent="1"> + <mxGeometry x="130" y="50" width="110" height="30" as="geometry" /> </mxCell> </root> </mxGraphModel> diff --git a/docs/diagrams/class_diagram.py b/docs/diagrams/class_diagram.py new file mode 100644 index 000000000..78b790064 --- /dev/null +++ b/docs/diagrams/class_diagram.py @@ -0,0 +1,160 @@ +# -*- coding: utf-8 -*- +""" +Interaction of classes in `bayesvalidrox` +@author: Rebecca Kohlhaas +""" +import graphviz +from pyUML import Graph, UMLClass + +# List all classes and functions outside classes +classes = {'PyLinkForwardModel':{'type_':'Model'}, + 'BayesInference':{'type_':'Bayes'}, + 'BayesModelComparison':{'type_':'Bayes'}, + 'Discrepancy':{'type_':'Bayes'}, + 'MCMC':{'type_':'Bayes'}, + 'PostProcessing':{'type_':'PostProcessing'}, + 'BayesLinearRegression':{'type_':'training'}, + 'EBLinearRegression':{'type_':'training'}, + 'VBLinearRegression':{'type_':'training'}, + 'Engine':{'type_':'Engine'}, + 'ExpDesigns':{'type_':'Design'}, + 'Exploration':{'type_':'Engine'}, + 'InputSpace':{'type_':'Design'}, + 'Input':{'type_':'Design'}, + 'Marginal':{'type_':'Design'}, + 'OrthogonalMatchingPursuit':{'type_':'training'}, + 'RegressionFastARD':{'type_':'training'}, + 'RegressionFastLaplace':{'type_':'training'}, + 'MetaModel':{'type_':'MetaModel'}} + +free_functions = ['gelman_rubin', 'within_range', 'adaptPlot','apoly_construction', + 'gamma_mean', 'hellinger_distance', 'logpdf', 'subdomain', 'eval_rec_rule', + 'eval_rec_rule_arbitrary', 'eval_univ_basis', 'poly_rec_coeffs', 'check_ranges', + 'cross_truncate', 'glexindex', 'corr', 'update_precisions', + 'corr_loocv_error', 'create_psi', 'gaussian_process_emulator'] + +if 0: + # Create digraph object + g = graphviz.Digraph('classinteraction', filename='classinteraction.gv', engine='fdp') + + # Add the classes and functions as nodes + g.attr('node', shape='box') + #for c in classes: + # g.node(c) + + #g.attr('node', shape='ellipse') + #for f in free_functions: + # g.node(f) + + # Create topic-based subclusters + with g.subgraph(name='cluster_input') as b: + b.edge('Marginal', 'Input') + g.edge('cluster_input', 'ExpDesigns') + g.edge('cluster_input', 'MetaModel') + + g.edge('InputSpace', 'MetaModel') + + + + with g.subgraph(name='cluster_regression') as a: + for i in classes: + if classes[i]['type_'] == 'training': + a.node(i) + g.edge('cluster_regression', 'MetaModel') + + + g.edge('PyLinkForwardModel', 'Engine') + g.edge('ExpDesigns', 'Engine') + g.edge('MetaModel', 'Engine') + g.edge('Exploration', 'Engine') + + with g.subgraph(name='cluster_post') as c: + c.node('PostProcessing') + c.edge('BayesInference', 'BayesModelComparison') + c.edge('MCMC', 'BayesInference') + + g.edge('Engine', 'cluster_post') + g.edge('Discrepancy', 'Engine') + g.edge('Discrepancy', 'BayesInference') + # Add the class-class interactions + if 0: + g.edge('InputSpace', 'MetaModel') + g.edge('Engine', 'PostProcessing') + g.edge('Engine', 'BayesInference') + g.edge('Engine', 'BayesModelComparison') + + g.view() + +def print_and_save(graph, name): + print(graph.to_string()) + graph.write_raw(f"{name}.dot") + graph.write(f"{name}.png", "dot", "png") + +# Create UML for the input classes +graph = Graph('pyUML') + +# Add input class +inputs = UMLClass('Input', + attributes={ + 'Marginals':'list', + 'Rosenblatt':'bool' + }, + methods=['add_marginals()'] + ) +graph.add_class(inputs) + +# Add marginal class +marginals = UMLClass('Marginal', + attributes={ + 'name':'string', + 'dist_type': 'string', + 'parameters': 'list', + 'input_data':'array', + 'moments': 'list' + } + ) +graph.add_class(marginals) +graph.add_composition(marginals, inputs, multiplicity_parent=1, multiplicity_child='1..*') + +inputspace = UMLClass('InputSpace', + attributes = { + 'input_obj':'Input', + 'meta_Model_type':'string' + }, + methods = [ + 'check_valid_inputs()', 'init_param_space()', + 'build_polytypes()', 'transform()' + ] + ) +graph.add_class(inputspace) +graph.add_composition(inputs, inputspace, multiplicity_parent=1, multiplicity_child=1) + +expdesign = UMLClass('ExpDesigns', + attributes = { + 'sampling_method': 'string', + 'hdf5_file': 'string', + 'n_new_samples': 'int', + 'n_max_samples': 'int', + 'mod_LOO_threshold': 'double', + 'tradeoff_scheme':'string', + 'n_canddidate': 'int', + 'explore_method':'string', + 'exploit_method': 'string', + 'util_func':'string', + 'n_cand_groups': 'int', + 'n_replication': 'int', + 'post_snapshot': 'bool', + 'step_snapshot':'int', + 'max_a_post': 'list', + 'adapt_verbose':'bool', + 'max_func_itr': 'int' + }, + methods = [ + 'generate_samples()', 'generate_ED()', + 'read_from_file()', 'random_sampler()', + 'pcm_sampler()' + ]) +graph.add_class(expdesign) +graph.add_implementation(expdesign, inputspace) + +print_and_save(graph, 'input_classes') \ No newline at end of file diff --git a/docs/diagrams/classinteraction.gv b/docs/diagrams/classinteraction.gv new file mode 100644 index 000000000..58f8687c9 --- /dev/null +++ b/docs/diagrams/classinteraction.gv @@ -0,0 +1,30 @@ +digraph classinteraction { + node [shape=box] + subgraph cluster_input { + Marginal -> Input + } + cluster_input -> ExpDesigns + cluster_input -> MetaModel + InputSpace -> MetaModel + subgraph cluster_regression { + BayesLinearRegression + EBLinearRegression + VBLinearRegression + OrthogonalMatchingPursuit + RegressionFastARD + RegressionFastLaplace + } + cluster_regression -> MetaModel + PyLinkForwardModel -> Engine + ExpDesigns -> Engine + MetaModel -> Engine + Exploration -> Engine + subgraph cluster_post { + PostProcessing + BayesInference -> BayesModelComparison + MCMC -> BayesInference + } + Engine -> cluster_post + Discrepancy -> Engine + Discrepancy -> BayesInference +} diff --git a/docs/diagrams/input_classes.dot b/docs/diagrams/input_classes.dot new file mode 100644 index 000000000..fcf3204ae --- /dev/null +++ b/docs/diagrams/input_classes.dot @@ -0,0 +1,9 @@ +digraph pyUML { +Input [label="{Input|+ Marginals : list\l+ Rosenblatt : bool\l|+ add_marginals()\l}", shape=record]; +Marginal [label="{Marginal|+ name : string\l+ dist_type : string\l+ parameters : list\l+ input_data : array\l+ moments : list\l|}", shape=record]; +Input -> Marginal [arrowtail=diamond, dir=back, headlabel="\n1..*", taillabel="\n1"]; +InputSpace [label="{InputSpace|+ input_obj : Input\l+ meta_Model_type : string\l|+ check_valid_inputs()\l+ init_param_space()\l+ build_polytypes()\l+ transform()\l}", shape=record]; +InputSpace -> Input [arrowtail=diamond, dir=back, headlabel="\n1", taillabel="\n1"]; +ExpDesigns [label="{ExpDesigns|+ sampling_method : string\l+ hdf5_file : string\l+ n_new_samples : int\l+ n_max_samples : int\l+ mod_LOO_threshold : double\l+ tradeoff_scheme : string\l+ n_canddidate : int\l+ explore_method : string\l+ exploit_method : string\l+ util_func : string\l+ n_cand_groups : int\l+ n_replication : int\l+ post_snapshot : bool\l+ step_snapshot : int\l+ max_a_post : list\l+ adapt_verbose : bool\l+ max_func_itr : int\l|+ generate_samples()\l+ generate_ED()\l+ read_from_file()\l+ random_sampler()\l+ pcm_sampler()\l}", shape=record]; +InputSpace -> ExpDesigns [arrowtail=onormal, dir=back]; +} diff --git a/docs/diagrams/inputdesign.gv b/docs/diagrams/inputdesign.gv new file mode 100644 index 000000000..36c0ae678 --- /dev/null +++ b/docs/diagrams/inputdesign.gv @@ -0,0 +1,9 @@ +digraph InputDesign { + Input + Marginal + InputSpace + ExpDesign + Marginal -> Input [label="1,..."] + Input -> InputSpace [label=1] + InputSpace -> ExpDesign [label="parent of"] +} diff --git a/docs/source/_static/custom.css b/docs/source/_static/custom.css new file mode 100644 index 000000000..9a890582e --- /dev/null +++ b/docs/source/_static/custom.css @@ -0,0 +1,9 @@ +div.leftside { + width: 60%; + padding: 0px 3px 0px 0px; + float: left; +} + +div.rightside { + margin-left: 62%; +} \ No newline at end of file diff --git a/docs/source/conf.py b/docs/source/conf.py index b56918dd0..7b710d360 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -25,7 +25,7 @@ sys.path.insert(0, os.path.abspath('../../src/')) project = 'bayesvalidrox' copyright = '2023, Farid Mohammadi, Rebecca Kohlhaas' author = 'Farid Mohammadi, Rebecca Kohlhaas' -release = '0.0.5' +release = '1.0.0' # -- General configuration --------------------------------------------------- @@ -58,4 +58,31 @@ html_theme = 'furo' # Add any paths that contain custom static files (such as style sheets) here, # relative to this directory. They are copied after the builtin static files, # so a file named "default.css" will overwrite the builtin "default.css". -html_static_path = ['_static'] \ No newline at end of file +html_static_path = ['_static'] + +# Add the logo +html_logo = 'BVRLogoV03_shorttext.png' + +# Other html options +# Colors for BVRox: +#'#9bb4e3', # very light blue +#'#7d93dd', # light blue +#'#5663a1', # mid blue +#'#263455', # dark blue +html_theme_options = { + 'sidebar_hide_name': True, + 'navigation_with_keys': True, + 'light_css_variables': { + 'color-brand-primary': '#5663a1', + 'color-brand-content': '#5663a1', + }, + 'dark_css_variables': { + 'color-brand-primary': '#9bb4e3', + 'color-brand-content': '#9bb4e3', + }, +} + +# Html-related css - path is relative to html_static_path +html_css_files = [ + 'custom.css', +] \ No newline at end of file diff --git a/docs/source/index.rst b/docs/source/index.rst index 7b707c7eb..028757fe8 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -1,22 +1,49 @@ .. bayesvalidrox documentation master file, created by sphinx-quickstart on Wed Dec 13 11:14:59 2023. - You can adapt this file completely to your liking, but it should at least - contain the root `toctree` directive. - + Surrogate-assisted Bayesian validation of computational models ============================================================== -**bayesvalidrox** is an open-source python package that provides methods for surrogate modeling, Bayesian inference and model comparison. - +**BayesValidRox** is an open-source python package that provides methods for surrogate modeling, Bayesian inference and model comparison. +.. image:: ../diagrams/balance.png + :width: 600 + :alt: Weighting model results against data with associated uncertainty, costs and sparsity + An introductory tutorial to the overall workflow with **bayesvalidrox** is provided in :any:`tutorial` and descriptions of the available examples can be found in :any:`examples`. The functionality and options for the different classes is described more in-depth in :any:`packagedescription` and a list of all the classes and functions is provided in :any:`api`. +Links +----- +* GitHub: https://git.iws.uni-stuttgart.de/inversemodeling/bayesvalidrox/-/tree/master?ref_type=heads +* PyPI: https://pypi.org/project/bayesvalidrox/ +* Documentation: + +#TODO Add other links -Contents +Installation +------------ +This package runs under Python 3.9 for versions <1.0.0 and 3.9+ from version 1.0.0 on, use pip to install: + $ pip install bayesvalidrox + +#TODO Note other needed installations and tips + +Quickstart +---------- +#TODO A minimal example to get people started + +See also -------- +#TODO Link other websites that are related to BVR + +License +------- +#TODO Note the License under which BVR is released + +Further contents +---------------- .. toctree:: - :maxdepth: 1 + :maxdepth: 2 tutorial examples diff --git a/docs/source/input_description.rst b/docs/source/input_description.rst new file mode 100644 index 000000000..27b97a81c --- /dev/null +++ b/docs/source/input_description.rst @@ -0,0 +1,72 @@ +Priors, input space and experimental design +******************************************* +.. note:: + #TODO Write a short intro to uncertain inputs and sampling + +Input classes +============= +.. container:: twocol + + .. container:: leftside + + Four classes contained in bayesvalidrox are associated with the inputs: :any:`bayesvalidrox.surrogate_models.inputs.Marginal`, :any:`bayesvalidrox.surrogate_models.inputs.Input`, :any:`bayesvalidrox.surrogate_models.input_space.InputSpace` and :any:`bayesvalidrox.surrogate_models.exp_designs.ExpDesigns`. + + Uncertain parameters are specified via their marginal distributions in :any:`bayesvalidrox.surrogate_models.inputs.Marginal` objects as either distribution types with associated parameters, or via a set of realizations. + Supported distribution types include ``unif``, ``norm``, ``gamma``, ``beta``, ``lognorm``, ``expon`` and ``weibull``. + + All marginals contained in an :any:`bayesvalidrox.surrogate_models.inputs.Input` object should be defined in the same manner, mixing definitions via distribution type and sampels is not supported. + + If ``rosenblatt`` is set as ``True``, then a Rosenblatt transform will be applied for training the surrogate. + + .. container:: rightside + + .. image:: ../diagrams/input_classes.png + :width: 300 + :alt: UML for input-related classes in bayesvalidrox + +.. note:: + When using a polynomial-type surrogate setting ``rosenblatt`` to ``True`` results in all hermite polynomials. + If all uncertain parameters are specified as samples, the corresponding polynomials are automatically calculated following an aPCE. + + #TODO Recheck this second point! + +The :any:`bayesvalidrox.surrogate_models.input_space.InputSpace` checks the validity of the given marginals and builds the input space. +This includes sampling from the distributions and applying the Rosenblatt transform or an isoprobabilistic transformation. + +The :any:`bayesvalidrox.surrogate_models.input_space.InputSpace` is used mainly in the surrogate model. +The class :any:`bayesvalidrox.surrogate_models.exp_designs.ExpDesigns` additionally contains methods and attributes related to sampling from the input space for static and iterative training of the surrogate model. +Supported sampling methods include ``random``, ``latin-hypercube``, ``sobol``, ``halton``, ``hammersley``, ``chebyshev(FT)``, ``grid(FT)`` and ``user`` for user-defined sampling. + +The options for iterative metamodel training are detailed in :any:`surrogate_description`. + +Example +======= +In practice, only the classes :any:`bayesvalidrox.surrogate_models.inputs.Input` and :any:`bayesvalidrox.surrogate_models.exp_designs.ExpDesigns` are directly used. + +>>> from bayesvalidrox import Input, ExpDesign + +Marginals of uncertain parameters can be directly added and defined on an ``Input`` object. + +>>> Inputs = Input() + +If they are defined via distribution types, the ``name``, ``dist_type`` and ``parameters`` for the distribution should be set. + +>>> Inputs.add_marginals() +>>> Inputs.Marginals[0].name = '$X$' +>>> Inputs.Marginals[0].dist_type = 'unif' +>>> Inputs.Marginals[0].parameters = [-5, 5] + +If they are given via data, only ``name`` and ``input_data`` are relevant. + +>>> Inputs.add_marginals() +>>> Inputs.Marginals[0].name = '$X$' +>>> Inputs.Marginals[0].input_data = inputParams[:, 0] + +An experimental design can be constructed based on these inputs. + +>>> ExpDesign = ExpDesign(Inputs) + +Samples of the marginals can be created by specifying a sampling method and generating the wanted number of samples. + +>>> ExpDesign.sampling_method = 'latin_hypercube' +>>> samples = ExpDesign.generate_samples(100) \ No newline at end of file diff --git a/docs/source/packagedescription.rst b/docs/source/packagedescription.rst index c836d36fb..33f946690 100644 --- a/docs/source/packagedescription.rst +++ b/docs/source/packagedescription.rst @@ -1,13 +1,38 @@ -PACKAGE DESCRIPTION -******************* -The package **bayesvalidrox** is split into multiple topics corresponding to the folder structure of the package. -The folder `surrogate_models` contains all the functions and classes to set up the experimental design with priors and create and train the surrogate model. -The computational model is linked via *pylink*. -Postprocessing, Bayesian inference and Bayesian model comparison each also get their own section. +USER GUIDE +********** +Introductory theory +=================== +.. note:: + #TODO Introduced some of the used basic terms and notations here to prepare for the detailed descriptions of each part. -TODO: add image to show folder/file interconnection -Priors, experimental design and surrogates -========================================== -The package **bayesvalidrox** +Overview +======== +This package is split into multiple topics corresponding to the folder structure of the package. + + +.. image:: ../diagrams/folder_structure.png + :width: 600 + :alt: Folder structure of **bayesvalidrox** + +The folder `surrogate_models` contains all the functions and classes that are necessary in order to create and train the surrogate model. +This includes + +* defining the input marginals +* setting properties of the sampling in an experimental design +* choosing the surrogate model and its properties +* training the surrogate model on model evaluations in a straightforward or iterative manner + +The computational model is linked via a *pylink* interface. +We split this into the aspects :any:`input_description` and :any:`surrogate_description` to provide insight into the options available in bayesvalidrox. + +:any:`post_description` can be applied to trained surrogate models, or using the underlying models themselves. + + +.. toctree:: + :maxdepth: 1 + + input_description + surrogate_description + post_description diff --git a/docs/source/post_description.rst b/docs/source/post_description.rst new file mode 100644 index 000000000..9950c8cf9 --- /dev/null +++ b/docs/source/post_description.rst @@ -0,0 +1,2 @@ +Postprocessing, Bayesian inference and Bayesian model comparison +**************************************************************** \ No newline at end of file diff --git a/docs/source/surrogate_description.rst b/docs/source/surrogate_description.rst new file mode 100644 index 000000000..676b73ba6 --- /dev/null +++ b/docs/source/surrogate_description.rst @@ -0,0 +1,2 @@ +Training surrogate models +************************* \ No newline at end of file diff --git a/docs/source/tutorial.rst b/docs/source/tutorial.rst index 03d5a7462..468c50adc 100644 --- a/docs/source/tutorial.rst +++ b/docs/source/tutorial.rst @@ -14,7 +14,7 @@ Import necessary libraries Define the model with PyLinkForwardModel ---------------------------------------- -We use the :py:class:`bayesvalidrox.pylink.pylink.PyLinkForwardModel` object to define the model. +We use the :any:`bayesvalidrox.pylink.pylink.PyLinkForwardModel` object to define the model. >>> from bayesvalidrox import PyLinkForwardModel >>> Model = PyLinkForwardModel() @@ -94,7 +94,7 @@ Here we show both options, the associated example :any:`analyticalfunction` read Define surrogate (meta) model ----------------------------- -In **bayesvalidrox** a metamodel is an object of class :py:class:`bayesvalidrox.surrogate_models.surrogate_models.MetaModel`. +In **bayesvalidrox** a metamodel is an object of class :any:`bayesvalidrox.surrogate_models.surrogate_models.MetaModel`. This object also accepts the inputs we defined in the previous section as an argument. @@ -147,7 +147,7 @@ Various sampling methods are available, and the samples can also be given by the Train the surrogate with an engine ---------------------------------- Training is done by giving the model, experimental design and the surrogate model to an engine, which performs the training for us. -The engine is of class :py:class:`bayesvalidrox.surrogate_models.engine.Engine`. +The engine is of class :any:`bayesvalidrox.surrogate_models.engine.Engine`. >>> engine = Engine(MetaModelOpts, Model, ExpDesign) @@ -232,7 +232,7 @@ For calculating and plotting the validation error of the surrogate in each itera >>> ExpDesign.valid_samples = prior[:500] >>> ExpDesign.valid_model_runs = {'Z': prior_outputs[:500]} -The sequential training is again performed by the class :py:class:`bayesvalidrox.surrogate_models.engine.Engine`, but using the function `train_sequential`. +The sequential training is again performed by the class :any:`bayesvalidrox.surrogate_models.engine.Engine`, but using the function ``train_sequential``. >>> engine.ExpDesign = ExpDesign >>> engine.train_sequential() @@ -241,8 +241,8 @@ The sequential training is again performed by the class :py:class:`bayesvalidrox Post-processing --------------- -The available post-processing methods for **bayesvalidrox** are given in the class :py:class:`bayesvalidrox.post_processing.post_processing.PostProcessing`. -All results created by this class are automatically stored in an output-folder ``Outputs_PostProcessing_*modelname``. +The available post-processing methods for **bayesvalidrox** are given in the class :any:`bayesvalidrox.post_processing.post_processing.PostProcessing`. +All results created by this class are automatically stored in an output folder ``Outputs_PostProcessing_*modelname``. >>> from bayesvalidrox import PostProcessing >>> PostPCE = PostProcessing(engine) @@ -270,7 +270,7 @@ The method ``sobolIndicesPCE`` returns a dictionary that contains the total sobo Bayesian Inference ------------------ -Inverse parameter estimation can be done in **bayesvalidrox** with the class :py:class:`bayesvalidrox.bayes_inf.bayes_inf.BayesInference`. +Inverse parameter estimation can be done in **bayesvalidrox** with the class :any:`bayesvalidrox.bayes_inference.bayes_inference.BayesInference`. >>> from bayesvalidrox import BayesInference >>> BayesOpts = BayesInference(engine) diff --git a/examples/analytical-function/classinteraction.gv b/examples/analytical-function/classinteraction.gv new file mode 100644 index 000000000..50824f1f3 --- /dev/null +++ b/examples/analytical-function/classinteraction.gv @@ -0,0 +1,44 @@ +digraph classinteraction { + node [shape=box] + PyLinkForwardModel + BayesInference + BayesModelComparison + Discrepancy + MCMC + PostProcessing + BayesLinearRegression + EBLinearRegression + VBLinearRegression + Engine + ExpDesigns + Exploration + InputSpace + Input + Marginal + OrthogonalMatchingPursuit + RegressionFastARD + RegressionFastLaplace + MetaModel + node [shape=ellipse] + gelman_rubin + within_range + adaptPlot + apoly_construction + gamma_mean + hellinger_distance + logpdf + subdomain + eval_rec_rule + eval_rec_rule_arbitrary + eval_univ_basis + poly_rec_coeffs + check_ranges + cross_truncate + glexindex + corr + update_precisions + corr_loocv_error + create_psi + gaussian_process_emulator + Input -> Marginal [label=""] +} -- GitLab