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Easy Reduced Basis method

Home Page: https://mathlab.github.io/EZyRB/

License: Other

Python 22.78% Shell 0.16% TeX 0.71% Jupyter Notebook 76.35%
pod-interpolation reduced-basis model-order-reduction proper-orthogonal-decomposition model-reduction hacktoberfest data-driven non-intrusive-model-order-reduction pod-nn pod-gpr autoencoder

ezyrb's Introduction

Python Dynamic Mode Decomposition

JOSS DOI Software License PyPI version Build Status Coverage Status

EZyRB: Easy Reduced Basis method

Table of contents

Description

EZyRB is a Python package that performs a data-driven model order reduction for parametrized problems exploiting the recent approaches. Such techniques are able to provide a parametric model capable to provide the real-time approximation of the solution of a generic (potentially complex and non linear) problem. The reduced model is totally built upon the numerical data obtained by the original (to reduce) model, without requiring any knowledge of the equations that describe this model, resulting in a well suited framework for industrial contexts due to its natural capability to been integrated with commercial software.

The POD-based approach

Widely exploited in the reduced basis community, the Proper Orthogonal Decomposition (also called principal analysis components) results effective also in a data-driven context, reducing dimensionality of the input data. It has been indeed exploited in several methods, like POD with Interpolation (PODI), POD with Gaussian process regression (POD-GPR) or POD with neural network (POD-NN). More in general, in the data-driven context it is usually coupled with a generic regression/interpolation techniques for the approximation of the solution.

Simple interface

The software interface has been kept as simple and intuitive as possible. Few lines of code are sufficient to built and query the reduced model, assuming the input parameters and snapshots are already available. The following lines show a minimal but working example using PODI (RBF used as interpolation method):

from ezyrb import POD, RBF, Database
from ezyrb import ReducedOrderModel as ROM

## input
params, snapshots = extract_params_and_snapshots(...) # my input data
new_param = input('The new parametric point where solution will be predicted: ')

db = Database(params, snapshots)
pod = POD('svd')
rbf = RBF()
    
rom = ROM(db, pod, rbf)
rom.fit();

rom.predict(new_param)

The package provides different reduction methods and regressors. The high level structure of the library is represented here:

classDiagram

ReducedOrderModel *-- Database
ReducedOrderModel *-- Reduction
ReducedOrderModel *-- Approximation

class ReducedOrderModel{
 database
 reduction
 approximation
 +fit()
 +predict()
 +test_error()
}
class Database{  
 parameters
 snapshots
 +add()
}
class Reduction{  
 +fit()
 +transform()
 +inverse_transform()
}
class Approximation{  
 +fit()
 +predict()
}

See the Examples section below and the Tutorials to have an idea of the potential of this package.

Dependencies and installation

EZyRB requires numpy, scipy, sklearn, matplotlib, torch, pytest (for local test) and sphinx (to generate the documentation). The code has been tested with Python3.5 version, but it should be compatible with Python3. It can be installed using pip or directly from the source code.

Installing from source

The official distribution is on GitHub, and you can clone the repository using

> git clone https://github.com/mathLab/EZyRB

To install the latest version of the package just type:

> pip install git+https://github.com/mathLab/EZyRB

Otherwise to install your own local branch you can use

> pip install -e .

To uninstall the package just use pip again:

> pip uninstall ezyrb

Documentation

EZyRB uses Sphinx for code documentation. To build the html versions of the docs simply:

> cd docs
> make html

The generated html can be found in docs/build/html. Open up the index.html you find there to browse.

Testing

We are using the Github Actions for continuous intergration testing. You can check out the current status here.

To run tests locally:

> pytest

Examples

You can find useful tutorials on how to use the package in the tutorials folder. Here we show an application taken from the automotive engineering field

The first POD modes of the pressure field on the DrivAer model.

DrivAer model online evaluation: pressure (left) and wall shear stress (right) fields and errors.

How to cite

If you use this package in your publications please cite the package as follows:

Demo et al., (2018). EZyRB: Easy Reduced Basis method. Journal of Open Source Software, 3(24), 661, https://doi.org/10.21105/joss.00661

Or if you use LaTeX:

@article{demo18ezyrb,
  Author = {Demo, Nicola and Tezzele, Marco and Rozza, Gianluigi},
  Title = {{EZyRB: Easy Reduced Basis method}},
  Journal = {The Journal of Open Source Software},
  Volume = {3},
  Number = {24},
  Pages = {661},
  Year = {2018},
  Doi = {https://doi.org/10.21105/joss.00661}
}

Recent works with EZyRB

Here there is a list of the scientific works involving EZyRB you can consult and/or cite. If you want to add one, please open a PR.

  • Tezzele, Demo, Rozza. A non-intrusive approach for proper orthogonal decomposition modal coefficients reconstruction through active subspaces. Comptes Rendus de l'Academie des Sciences DataBEST 2019 Special Issue, in press. [arXiv] [bibitem] .

  • Tezzele, Demo, Rozza. Shape optimization through proper orthogonal decomposition with interpolation and dynamic mode decomposition enhanced by active subspaces. In Proceedings of MARINE 2019: VIII International Conference on Computational Methods in Marine Engineering, pages 122-133, 2019. [DOI] [arXiv] [bibitem].

  • Demo, Tezzele, Mola, Rozza. A complete data-driven framework for the efficient solution of parametric shape design and optimisation in naval engineering problems. In Proceedings of MARINE 2019: VIII International Conference on Computational Methods in Marine Engineering, pages 111-121, 2019. [DOI] [arXiv] [bibitem].

  • Garotta, Demo, Tezzele, Carraturo, Reali, Rozza. Reduced Order Isogeometric Analysis Approach for PDEs in Parametrized Domains. Submitted, 2018. [arXiv] [bibitem].

  • Tezzele, Demo, Mola, Rozza. An integrated data-driven computational pipeline with model order reduction for industrial and applied mathematics. Submitted, 2018. [arXiv] [bibitem].

  • Salmoiraghi, Scardigli, Telib, Rozza. Free-form deformation, mesh morphing and reduced-order methods: enablers for efficient aerodynamic shape optimisation. International Journal of Computational Fluid Dynamics, 32:4-5, 233-247, 2018. [DOI] [arXiv] [bibitem].

  • Demo, Tezzele, Gustin, Lavini, Rozza. Shape optimization by means of proper orthogonal decomposition and dynamic mode decomposition. In Technology and Science for the Ships of the Future: Proceedings of NAV 2018: 19th International Conference on Ship & Maritime Research, 2018. [DOI] [arXiv] [bibitem].

Authors and contributors

EZyRB is currently developed and mantained at SISSA mathLab by

under the supervision of Prof. Gianluigi Rozza. We thank Filippo Salmoiraghi for the original idea behind this package and the major contributions.

Contact us by email for further information or questions about EZyRB, or suggest pull requests. EZyRB is at an early development stage, so contributions improving either the code or the documentation are welcome!

How to contribute

We'd love to accept your patches and contributions to this project. There are just a few small guidelines you need to follow.

Submitting a patch

  1. It's generally best to start by opening a new issue describing the bug or feature you're intending to fix. Even if you think it's relatively minor, it's helpful to know what people are working on. Mention in the initial issue that you are planning to work on that bug or feature so that it can be assigned to you.

  2. Follow the normal process of forking the project, and setup a new branch to work in. It's important that each group of changes be done in separate branches in order to ensure that a pull request only includes the commits related to that bug or feature.

  3. To ensure properly formatted code, please make sure to use 4 spaces to indent the code. The easy way is to run on your bash the provided script: ./code_formatter.sh. You should also run pylint over your code. It's not strictly necessary that your code be completely "lint-free", but this will help you find common style issues.

  4. Any significant changes should almost always be accompanied by tests. The project already has good test coverage, so look at some of the existing tests if you're unsure how to go about it. We're using coveralls that is an invaluable tools for seeing which parts of your code aren't being exercised by your tests.

  5. Do your best to have well-formed commit messages for each change. This provides consistency throughout the project, and ensures that commit messages are able to be formatted properly by various git tools.

  6. Finally, push the commits to your fork and submit a pull request. Please, remember to rebase properly in order to maintain a clean, linear git history.

SISSA mathLab packages for reduced order modeling

Below you can find a list of useful reduced order modelling packages from SISSA mathLab group:

  • PyGeM: Python library for Geometrical Morphing, that uses free form deformation to parametrize and morph complex geometries, https://github.com/mathLab/PyGeM.
  • PyDMD: Python library for Dynamic Mode Decomposition, for a data-driven model simplification based on spatiotemporal coherent structures, https://github.com/mathLab/PyDMD.
  • RBniCS: reduced order modelling in FEniCS, is an implementation in FEniCS of several reduced order modelling techniques for parametrized problems, https://github.com/mathLab/RBniCS.
  • BladeX: Python Package for Blade Deformation, for geometrical parametrization and bottom-up construction of propeller blades, https://github.com/mathLab/BladeX.
  • ITHACA-FV: In real Time Highly Advanced Computational Applications for Finite Volumes, is C++ library based on the finite volume solver OpenFOAM. It consists of the implementation of several reduced order modeling techniques for parametrized problems, https://github.com/mathLab/ITHACA-FV.
  • ITHACA-DG: In real Time Highly Advanced Computational Applications for Discontinuous Galerkin Methods, is C++ library based on the Discontinuous Galerkin Methods solver HopeFOAM. It consists of the implementation of reduced order modeling techniques for parametrized problems, https://github.com/mathLab/ITHACA-DG.
  • ITHACA-SEM: In real Time Highly Advanced Computational Applications for Spectral Element Methods, is C++ library based on the spectral element solver Nektar++. It consists of the implementation of several reduced order modeling techniques for parametrized problems, https://github.com/mathLab/ITHACA-SEM.

License

See the LICENSE file for license rights and limitations (MIT).

ezyrb's People

Contributors

annaivagnes avatar fandreuz avatar flabowski avatar flousen avatar ggurioli avatar giovastabile avatar harshith-gowrachari avatar karimyehia92 avatar mmrrooo avatar mtezzele avatar ndem0 avatar pcafrica avatar samadio avatar sigvaldm avatar

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ezyrb's Issues

Mixing tee ROM failed

Hello There!

I've read tutorial 1 and 2, and try to apply the same ROM workflow on my own tests of cold and hot flow in mixing tee.
The space lists below:

Untitled

and there are four paramters:

  • velocity of inlet1
  • temperature of inlet1
  • velocity of inlet2
  • temperature of inlet2

The outputs are velocity of x, velocity of y, and pressure. I generated 300 snapshots by uniform sampling and splitted 200 snapshots for trainning, 50 for validation, and 50 for testing.

print(train_mus.shape)
print(test_mus.shape)
print(train_snapshots.shape)
print(test_snapshots.shape)

>(200, 4)
>(50, 4)
>(200, 1466)
>(50, 1466)

rom = ROM(db, POD(), RBF())
rom.fit();

errors = rom.kfold_cv_error(n_splits = 10)
print('Average error for each fold:')
for e in errors:
print('  ',e)
print('\nAverage error = {}'.format(errors.mean()))

Finally, the average error is 0.8
I don't figure out what's wrong with my experience. Could you please give me some hits on how to make it work? Thanks a lot!

Outdated version on PyPI

It looks like the version downloadable with the command pip install ezyrb is quite oudated. It would be useful to update it since several important changes have been introduced in the public interface (for instance, POD now requires a call to fit() before reduce() is available).

`Snapshot` class

Is your feature request related to a problem? Please describe.
At the moment, the snapshots in Database always belong to some vector space, losing the spatial information.

Describe the solution you'd like
A new class Snapshot capable to deal also with spatial information.

Additional context
Many enhancement in ROM community require spatial information.

Higher order interpolation on regular grids

Is your feature request related to a problem? Please describe.
I have my data sampled on a regular grid in the parameter space.

Describe the solution you'd like
I am using a regular grid interpolation, see RegularGridInterpolator: Interpolation on a regular or rectilinear grid in arbitrary dimensions. Supported are “linear”, “nearest”, “slinear”, “cubic”, “quintic” and “pchip”. It would be nice to have this available through EZyRB directly.

Describe alternatives you've considered
The LinearNDInterpolator which is wrapped here is much slower.
For 1D data, the interp1d class is used, but in EZyRB it allows for the default linear interpolation only.

Additional context
#166 suggested new wrappers. Beside the RBF interpolation, I found that the LinearNDInterpolator is wrapped here.
It does not perform well, because the interpolant is constructed by triangulating the input data with Qhull. Moreover, it allows only for linear interpolation. The RegularGridInterpolator takes advantage of the grid structure and allows for higher order interpolation (scipy 1.10 or higher required).

Adding the files

Hi @mtezzele ,

I ran the RANS simulation for a body and exported the .vtk files. But I have so many .vtk files. How can I identify which .vtk file corresponds to which parametric points ? I know it is a novice question, kindly help me out.

image

sklearn version

Specify in the readme the minimum version of sklearn in order to use the new regressors such as NeighborsRegressor (some attributes as n_samples_fit_ exist only in the most recent versions).

test_correlation_matirix_savemem

Describe the bug
Numeric error in one test on MacOS machine

To Reproduce
pytest tests/test_pod.py

Output

=================================== FAILURES ===================================
___________________ TestPOD.test_correlation_matirix_savemem ___________________

self = <tests.test_pod.TestPOD testMethod=test_correlation_matirix_savemem>

    def test_correlation_matirix_savemem(self):
        pod = POD('correlation_matrix', save_memory=True).fit(snapshots)
        snapshots_ = pod.expand(pod.reduce(snapshots))
>       np.testing.assert_array_almost_equal(snapshots, snapshots_, decimal=4)
E       AssertionError: 
E       Arrays are not almost equal to 4 decimals
E       
E       Mismatched elements: 1 / 10000 (0.01%)
E       Max absolute difference: 0.00015685
E       Max relative difference: 0.11504939
E        x: array([[21.7299,  9.3806,  6.3174,  8.8813],
E              [21.5333,  9.2168,  6.1572,  8.7133],
E              [21.3082,  9.0525,  5.9995,  8.5413],...
E        y: array([[21.7299,  9.3806,  6.3174,  8.8813],
E              [21.5333,  9.2168,  6.1572,  8.7133],
E              [21.3082,  9.0525,  5.9994,  8.5413],...

tests/test_pod.py:28: AssertionError

How the npy file in tutorial 1 come from?

Hello there,

I am learning ROM by following the tutorials and I am puzzled with the npy files. I read the coordination info from coord.npy and found it completely disorder. I also searched the discussions and it might come from using Smithers (but I didn't find any example in documentation). And my questions is how to generate the coordination and snapshots npy file? If now I only have coordination csv data and snapshot point data, is it possible to convert to npy file? Thanks a lot!

Missing complex conjugation

The method reduce in pod.py multiplies the given high-dimensional snapshot by the transpose (i.e. inverse) of the matrix of left singular vectors.

However for a complex matrix we also need to take the complex conjugate, since self.modes @ self.modes.T is not the identity matrix.

GPy (and possibly others) imported before being installed

setup.py imports ezyrb, which imports GPy (and others). Although setup.py lists GPy as a requirement, it may not be installed at the time setup.py is run, which leads to the following error upon pip install .

    ERROR: Command errored out with exit status 1:
     command: /usr/bin/python -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'/home/sigvald/Codes/EZyRB/setup.py'"'"'; __file__='"'"'/home/sigvald/Codes/EZyRB/setup.py'"'"';f=getattr(tokenize, '"'"'open'"'"', open)(__file__);code=f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, __file__, '"'"'exec'"'"'))' egg_info --egg-base /tmp/pip-pip-egg-info-6bkra3yh
         cwd: /home/sigvald/Codes/EZyRB/
    Complete output (9 lines):
    Traceback (most recent call last):
      File "<string>", line 1, in <module>
      File "/home/sigvald/Codes/EZyRB/setup.py", line 4, in <module>
        import ezyrb
      File "/home/sigvald/Codes/EZyRB/ezyrb/__init__.py", line 23, in <module>
        from .gpr import GPR
      File "/home/sigvald/Codes/EZyRB/ezyrb/gpr.py", line 4, in <module>
        import GPy
    ModuleNotFoundError: No module named 'GPy'
    ----------------------------------------
ERROR: Command errored out with exit status 1: python setup.py egg_info Check the logs for full command output.

Some relevant reading: https://packaging.python.org/guides/single-sourcing-package-version/

Clearly state which Python version is supported

The README does not tell whether Python 2 or 3 is supported. EZyRB currently can be installed either using Python 2 or 3, but tests fail if Python 3.6 is used. The file setup.py states that Python 2.7 is the only version supported.

Use EZyRB with available state space matrices

Hey everybody,

I am writing my master thesis and I'd like to do some model order reductions. One method I'd like to use is the POD and therefore I found the package EZyRB. I'd like to apply EZyRB on my data consisting of different inputs and outputs. How can I apply EZyRB to get the reduced order model?

Thanks and regards
Markus

New property in POD

It would be nice to have a new property called coefficients in the POD class which returns the modal coefficients computed when calling the reduce method. The same that has been done with modes and singular_values.

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