NNsPOD - Neural Network shifted-Proper Orthogonal Decomposition

NNsPOD is a machine-learning based pre-processing algorithm for the model order reduction of non-linear hyperbolic equations with unknown transport fields. It consists of a split architecture of two neural networks InterpNet and ShiftNet with a continuous data-flow in between (i.e. the output of the former is cascaded into the input layer of the former whilst their training is performed separately).

The project has been developed within mathLab's research group at SISSA - Scuola Internazionale degli Studi Avanzati by myself, Nicola Demo, Michele Girfoglio and Giovanni Stabile under the supervision of group's head Prof. Gianluigi Rozza. The results of this algorithm, as well as its detailed mathematical derivation and implementation, can be found in our paper. The algorithm is written in Python using PyTorch framework and it is located in the directory NNsPOD of this repository.

The software can be interfaced with any other library through suitable wrappers: in this repository NNsPOD has be used to decompose fluid fields derived numerically in C++ as oulined below.

Content

The repository, is linked with ITHACA-FV, an open-source C++ suite, developed and maintaned by mathLab's group, that implements various ROM techniques (including POD on which this algorithm is based) of full-order simulations performed in OpenFOAM-v2006.

Despite that NNsPOD consists of Python scripts that can be adapted to interface with other outputs depending on the needs of the user. At the moment we are not planning to introduce an automated interface, or wrapping feature for the software. All NNsPOD's scripts can be found in the NNsPOD directory.

The repository is organised as follows:

• generalAdvection is an ITHACA-FV class that allows to solve for an advection equation with non-uniform, non-constant transport field and performing a shifted-Proper Orthogonal Decompostion (the algorithm on which such technique is based is derived from a 2018 article by Reiss et al);
• neuralAdvection reduces the same advection equation but using NNsPOD automatic shift detection;
• neuralMultiphase applies NNsPOD reduction to a multiphase fluid flow with specified densities and viscosities for the two fluids;
• results contains the numerical experiments performed and reported in our paper. Specifically:
  • advection2d/SquarePOD uses the solver generalAdvection and it refers to the simulation in Section 2 of the article;
  • advection2d/SquareNNsPOD uses the solver neuralAdvection and it refers to the simulation in Section 3 of the article;
  • multiphase uses the solver neuralMultiphase and it refers to the simulation in Section 4 of the article.

Installation

Once downloaded, the content of the present repository must be moved into different directories in order for the code to compile and execute. Specifically, once both OpenFOAM and ITHACA-FV have been installed and compiled correctly, one must:

• copy the chosen ITHACA-FV class directory into the src subdirectory of ITHACA-FV

cp -r neuralMultiphase ~/ITHACA-FV/src/ITHACA_FOMPROBLEMS

• write on ITHACA_FOMPROBLEMS/Make/files the name of ITHACA-FV class among the list of the files to be compiled and then compile it

cd ~/ITHACA-FV/src/ITHACA_FOMPROBLEMS
wclean
wmake

• for neuralMultiphase class only the file ITHACA_FOMPROBLEMS/Make/options must also be amended by inserting the following lines before compiling:

-I$(LIB_SRC)/transportModels/immiscibleIncompressibleTwoPhaseMixture \
-I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
-I$(LIB_SRC)/transportModels/incompressible/incompressibleTwoPhaseMixture \

Now the solver should be available among the compiled executables.

Launching simulation

Once the binary file for the class is created one can either create an ITHACA-FV class of its own or simply amend one among those in the results sub-directory. To execute the simulation one must:

• create a case and, following the OpenFOAM proper setup for the simulation to be run, copy the directory NNsPOD into the desired case for the simulation (only for neuralAdvection and neuralMultiphase)

mkdir sim
cp -r NNsPOD ./sim/

• compile the C++ script associated to the full-order simulation and snapshot collection offline.C

cd sim
wclean
wmake

• once the binary is created one must perform the full-order simulation as per OpenFOAM workflow and execute the binary of the solver

blockMesh
setExpreFields
offline

• at the end of the full-order computation the ITHACAoutput/NUMPYsnapshots subdirectory will contain the snapshots collected into numpy arrays. Then move to the NNsPOD subdirectory and, once setting the neural networks architecture, the main.py script can be executed

cd NNsPOD
python main.py

At this point, to conclude the simulation one must:

• compile the online.C script that converts ITHACAoutput/NUMPYsnapshots/shifted_snapshot_matrix.npy into OpenFOAM objects and execute it to perform the POD

cd online
wclean
wmake
online

Now in online/ITHACAoutput/Offline the pre-processed shifted snaphots will be found whereas in online/ITHACAoutput/POD the modes and the singular values associated to the POD will be found.

NNsPOD scripts

In the directory NNsPOD there are 4 scripts:

• main.py is the script to be launched for running NNsPOD. In it the reference configuration for the training is specified alongside the test snapshot to be plotted for the shift monitoring (line 8);
• interp_net.py implements the InterpNet part of NNsPOD. The network's parameters can be specified (lines 15-27 and 42);
• shift_net.py implements the ShiftNet part of NNsPOD. The network's paramaters can be specified (lines 16-38 and 46);
• plot_test.py is the script that creates the plots for the training stages of InterpNet and ShiftNet. The size of the 2-dimensional grid has to be specified (lines 19-20) Once ShiftNet's training is completed main.py will generate in ITHACAoutput/NUMPYsnapshots a (numpy) shifted snapshot's matrix accoring to the autodetected best bijective mapping. Also in NNsPOD directory three folders Plots, Results and TrainedModels will contain, respectively, the matplotlib plots of various training stages of InterpNet and ShiftNet, the .csv files containing the loss values at each epoch of boths networks' optimisers and the fully trained networks models (weights and biases).