├── software.md ├── education.md ├── research.md ├── CONTRIBUTING.md ├── README.md └── LICENSE /software.md: -------------------------------------------------------------------------------- 1 | List of software projects in alphabetical order: 2 | 3 | - [flowTorch](https://github.com/FlowModelingControl/flowtorch): A Python library for analysis and reduced-order modeling of fluid flows 4 | - [ITHACA-FV](https://github.com/mathLab/ITHACA-FV): In real Time Highly Advanced Computational Applications for Finite Volumes - ROMs for OpenFOAM 5 | - [OpenDA](https://github.com/OpenDA-Association/OpenDA): Generic environment for data assimilation tasks like parameter calibration and measurement filtering 6 | - [PythonFOAM](https://github.com/argonne-lcf/PythonFOAM): In-situ data analyses with OpenFOAM and Python 7 | - [SmartSim](https://github.com/CrayLabs/SmartSim): ML+HPC infrastructure library and api -------------------------------------------------------------------------------- /education.md: -------------------------------------------------------------------------------- 1 | List of blog posts in chronological order: 2 | 3 | 4 | - [Running PyTorch models in OpenFOAM - basic setup and examples](https://ml-cfd.com/2020/12/29/running-pytorch-models-in-openfoam-basic-setup-and-examples/) by A. Weiner, Dec 29 2020 5 | - [Training a PyTorch neural network on cell-centered OpenFOAM fields](https://tmaric.gitlab.io/posts/openfoam-pytorch-volfield/) by T. Marić, Dec 14 2020 6 | 7 | List of educational code repositories in alphabetical order: 8 | 9 | - [Analyzing coherent structures in unsteady flows by means of dynamic mode decomposition (DMD)](https://github.com/AndreWeiner/ofw2022_dmd_training) 10 | - [Machine learning in Computational Fluid Dynamics lecture](https://github.com/AndreWeiner/ml-cfd-lecture) 11 | - [Towards physics-based deep learning in OpenFOAM: Combining OpenFOAM with the PyTorch C++ API](https://gitlab.com/tmaric/ofw17-training-physics-based-dl/-/tree/main/) -------------------------------------------------------------------------------- /research.md: -------------------------------------------------------------------------------- 1 | ## Research projects with code repository 2 | 3 | List of research projects in chronological order: 4 | 5 | - [A general approach for running Python codes in OpenFOAM using an embedded pybind11 Python interpreter](https://bitbucket.org/ScimonUCD/pybind11foam/src/master/), Mar 2022 6 | - [Assessment of a subgrid-scale model for convection-dominated mass transfer for initial transient rise of a bubble](https://github.com/AndreWeiner/sgs_model_test_transient), Feb 2022 7 | - [Modeling and simulation of convection-dominated species transfer at rising bubbles](https://github.com/AndreWeiner/phd_openfoam), Jan 2020 8 | - [Dynamic mode decomposition of transonic shock buffet on a NACA-0012 airfoil](https://github.com/FlowModelingControl/naca0012_shock_buffet), Jan 2022 9 | 10 | ## Research article without code repository 11 | 12 | - [Acceleration of Chemical Kinetics Computation with the Learned Intelligent Tabulation (LIT) Method](https://www.mdpi.com/1996-1073/14/23/7851), Nov 2021 -------------------------------------------------------------------------------- /CONTRIBUTING.md: -------------------------------------------------------------------------------- 1 | # How to contribute to this repository 2 | 3 | We appreciate all efforts contributing to advance data-driven modeling with OpenFOAM, may it be shared research projects, blog posts or links to software projects. 4 | 5 | ## Research projects, articles, and educational material 6 | 7 | A general requirement for all types of listed resources is that they are **freely accessible** for everyone. 8 | 9 | ### Requirements for educational material 10 | 11 | We consider blog posts, videos, online courses, and similar content to fall into this category. To avoid bloating the link collection, the following requirements should be fulfilled: 12 | 13 | - the content should have a minimum length of about 1000 words (blog posts), 2min (videos), or 1h (courses); these values are not set in stone but provide only a rough orientation 14 | - the content should be original, e.g., not an aggregation of images/animations/quotes/videos of other resources 15 | - the content should be centered around OpenFOAM **and** data 16 | 17 | ### Requirements for software and research projects 18 | 19 | Projects involving data-driven modeling and OpenFOAM are naturally software-heavy. Therefore, research and software projects should fulfill the following requirements: 20 | 21 | - the project should be hosted and publicly available on a service like GitHub, Bitbucket, GitLab, etc. 22 | - the repository should contain a README.md file providing essential information: 23 | - the project's scope 24 | - **research summary**: summary of the main results 25 | - installation instructions 26 | - usage instructions 27 | - at least one tutorial case with a description (README.md) of how to use the project/software/library 28 | - **software**: reference to available use cases 29 | 30 | Ideally, software-centric projects should also provide: 31 | 32 | - Links to the respective publications (citations with DOIs) 33 | - Design documentation that describe the architecture of the code 34 | - Code documentation in the comments 35 | - A software container (Docker, Singularity) with all depenencies. 36 | - Automatic testing 37 | - Build tests 38 | - Unit-tests 39 | - Automated verification and validation at least for small/simple cases. 40 | - All of the above packed in the CI pipeline in the project. 41 | 42 | ## Steps to contribute 43 | 44 | If you would like to share content via this platform, please consider the following steps: 45 | 46 | 0. check the requirements listed above 47 | 1. open a new issue in this repository, provide a link to the resource (in [education.md](https://github.com/AndreWeiner/mlfoam/blob/main/education.md), [research.md](https://github.com/AndreWeiner/mlfoam/blob/main/research.md) or [software.md](https://github.com/AndreWeiner/mlfoam/blob/main/software.md)), and write a one-liner describing the content; check out the available resources if you need some inspiration 48 | 2. we check the resource and add it to this repository 49 | 50 | **Thank you for sharing your work!** 51 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | # OpenFOAM special interest group on data-driven modeling 2 | 3 | All activities of the official OpenFOAM special interest group (SIG) on data-driven modeling are currently organized in this repository. 4 | 5 | ## Current activities 6 | 7 | ### Collection of resources 8 | 9 | The following documents contain curated lists of contents related to data-driven modeling and OpenFOAM. You are very welcome to [extend these lists](CONTRIBUTING.md). 10 | 11 | - [research projects](research.md) 12 | - [software projects](software.md) 13 | - [educational material](education.md) 14 | 15 | ### Committee meetings 16 | 17 | Meetings take place about every two month. Get in touch if you would like to participate. A list of previous and upcoming meetings and topics is available on the [SIG's wiki page](https://wiki.openfoam.com/Data_Driven_Modelling_Special_Interest_Group). 18 | 19 | ## Our scope and objectives in a nutshell 20 | 21 | For us, data-driven modeling comprises a variety of different topics, some of which are listed below: 22 | - machine learning (ML): combining CFD and ML, e.g., using ML models in CFD or deriving ML models from CFD data 23 | - data science: analyzing CFD data to guide modeling and decision making 24 | - data engineering: aggregating, storing, and processing CFD data 25 | 26 | The following list briefly summarizes our current objectives. The technical roadmap below details **how** we plan to achieve our objectives. 27 | 28 | - short term objectives 29 | - reduce the technical barrier to get started with data-riven modeling in OpenFOAM to enable more people to include data-driven workflows in their applications or research 30 | - promote data-driven techniques that are already available in OpenFOAM, e.g., dynamic mode decomposition (DMD) 31 | - promote third-party library for data-driven modeling that are based on or built for OpenFOAM 32 | - long term objectives 33 | - aid the understanding of when and how to use data-driven modeling in the CFD workflow 34 | - accelerate developments and applications of data-driven approaches around OpenFOAM 35 | - establish tested data-driven techniques as a natural element of CFD simulations to improve accuracy and/or speed 36 | 37 | ## Workflow 38 | 39 | We would like to have short virtual meetings (max. 1h) every **two** month and meet in person, if possible, at the OpenFOAM conference and workshop. The bi-monthly meetings serve to update all members about the recent progress and to coordinate upcoming efforts. Everybody is welcome to join our meetings. 40 | 41 | ## Technical roadmap 42 | 43 | This section lists several steps to achieve the objectives outlined before. The list is mostly motived by the initiator's previous experience and current projects, and presents by no means a comprehensive list of all possibilities for data-driven modeling with OpenFOAM. 44 | 45 | - Integration of the PyTorch C++ API [libtroch](https://pytorch.org/cppdocs/installing.html) with OpenFOAM; libtorch can be used to execute existing PyTorch ML models in OpenFOAM but also to implement the entire ML workflow in C++ (data-processing, training, hyperparameter tuning, ...) 46 | - ~~adjustment of the default OpenFOAM C++ standard, e.g, C++11 -> C++14~~ 47 | - ~~third-party install script to compile and set up libtorch~~ 48 | - ~~simplify construction of standard neural network architectures with runtime-selectable components~~ 49 | - adapters for OpenFOAM field data to work with 50 | - ~~full geometric fields~~ 51 | - boundary fields (!) 52 | - ~~sub-sets of fields~~ 53 | - normalization of data as part of ML pipeline 54 | - base class adapters with support for ML models, e.g., 55 | - boundary conditions 56 | - Lagrangian models 57 | - pressure-velocity coupling 58 | - ... 59 | - high-performance enabled computations with OpenFOAM and libtorch 60 | - distributed training with geometric field data 61 | - offload workloads to GPU(s) 62 | - Develop workflows for Hyperparameter Tuning 63 | - Bayesian Optimization (!) 64 | - RTS for activation functions (!): addressed by PiNN team 65 | - Provide an accessible interface between OpenFOAM and Python; Python is the most widely used programming language for data analysis and ML; therefore, there should be an easy way to access OpenFOAM data in Python; there exist a number of Python packages to access OpenFOAM data, but for all of them at least one of the following points applies: only partial access, bad or missing documentation, overly complicated access to data, no active development or support, not applicable to large data (too slow/inefficient); a few options that could be explored are 66 | - improve documentation of existing packages 67 | - continue development of packages with partial access 68 | - create Python bindings for selected OpenFOAM classes 69 | - compile and create documentation and tutorials 70 | - OpenFOAM tutorials demonstrating how to enable ML with OpenFOAM 71 | - open-source research projects and proposals around OpenFOAM and ML 72 | - blog posts, presentations, videos 73 | - lecture material 74 | - organize an OpenFOAM + ML hackathon once a year 75 | 76 | ### PyTorch PiNNs in OpenFOAM 77 | 78 | #### Overall goals 79 | 80 | Provide PiNN solvers in OpenFOAM for different PDE systems, use those to generalize the approach into an OpenFOAM/torch API. 81 | 1. Generalize the construction of PiNN differential operators into an OpenFOAM/torch API to lower the barrier of constructing PDE (systems). 82 | 2. Generalize the construction of initial/boundary condition losses in the PiNN PDE (system) solution. 83 | 84 | #### Specific solver: potential-flow pinnFoam (Laplace + Divergence operators) 85 | 86 | - Extend the potential flow PiNN with OpenFOAM's boundary conditions: zero-gradient, fixed-gradient, fixed-value PINN BCs. 87 | - Enable RTS for activation functions (generally torch::Model, using the RTTI in torch) so that we can include them in hyperparam tuning. 88 | - Implement adaptive activation functions / gradient flow correction for the Adam solver. 89 | - Investigate the residual loss w.r.t. OpenFOAM's operators. 90 | - Implement the non-conservative version + cross-compare. 91 | - Fix metadata (RESIDUAL_MSE and not GRAD_MSE). 92 | - Add CI: build and visualization testing. 93 | - Document. 94 | 95 | ## How to get in touch 96 | 97 | If you would like to contribute to this repository, provide additional ideas or spark up a discussion, the most direct way to get in touch is to open an issue at: 98 | 99 | [https://github.com/AndreWeiner/mlfoam](https://github.com/OFDataCommittee/mlfoam) 100 | -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 1 | GNU GENERAL PUBLIC LICENSE 2 | Version 3, 29 June 2007 3 | 4 | Copyright (C) 2007 Free Software Foundation, Inc. 5 | Everyone is permitted to copy and distribute verbatim copies 6 | of this license document, but changing it is not allowed. 7 | 8 | Preamble 9 | 10 | The GNU General Public License is a free, copyleft license for 11 | software and other kinds of works. 12 | 13 | The licenses for most software and other practical works are designed 14 | to take away your freedom to share and change the works. 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You may not convey a covered 525 | work if you are a party to an arrangement with a third party that is 526 | in the business of distributing software, under which you make payment 527 | to the third party based on the extent of your activity of conveying 528 | the work, and under which the third party grants, to any of the 529 | parties who would receive the covered work from you, a discriminatory 530 | patent license (a) in connection with copies of the covered work 531 | conveyed by you (or copies made from those copies), or (b) primarily 532 | for and in connection with specific products or compilations that 533 | contain the covered work, unless you entered into that arrangement, 534 | or that patent license was granted, prior to 28 March 2007. 535 | 536 | Nothing in this License shall be construed as excluding or limiting 537 | any implied license or other defenses to infringement that may 538 | otherwise be available to you under applicable patent law. 539 | 540 | 12. No Surrender of Others' Freedom. 541 | 542 | If conditions are imposed on you (whether by court order, agreement or 543 | otherwise) that contradict the conditions of this License, they do not 544 | excuse you from the conditions of this License. If you cannot convey a 545 | covered work so as to satisfy simultaneously your obligations under this 546 | License and any other pertinent obligations, then as a consequence you may 547 | not convey it at all. For example, if you agree to terms that obligate you 548 | to collect a royalty for further conveying from those to whom you convey 549 | the Program, the only way you could satisfy both those terms and this 550 | License would be to refrain entirely from conveying the Program. 551 | 552 | 13. Use with the GNU Affero General Public License. 553 | 554 | Notwithstanding any other provision of this License, you have 555 | permission to link or combine any covered work with a work licensed 556 | under version 3 of the GNU Affero General Public License into a single 557 | combined work, and to convey the resulting work. The terms of this 558 | License will continue to apply to the part which is the covered work, 559 | but the special requirements of the GNU Affero General Public License, 560 | section 13, concerning interaction through a network will apply to the 561 | combination as such. 562 | 563 | 14. Revised Versions of this License. 564 | 565 | The Free Software Foundation may publish revised and/or new versions of 566 | the GNU General Public License from time to time. Such new versions will 567 | be similar in spirit to the present version, but may differ in detail to 568 | address new problems or concerns. 569 | 570 | Each version is given a distinguishing version number. If the 571 | Program specifies that a certain numbered version of the GNU General 572 | Public License "or any later version" applies to it, you have the 573 | option of following the terms and conditions either of that numbered 574 | version or of any later version published by the Free Software 575 | Foundation. If the Program does not specify a version number of the 576 | GNU General Public License, you may choose any version ever published 577 | by the Free Software Foundation. 578 | 579 | If the Program specifies that a proxy can decide which future 580 | versions of the GNU General Public License can be used, that proxy's 581 | public statement of acceptance of a version permanently authorizes you 582 | to choose that version for the Program. 583 | 584 | Later license versions may give you additional or different 585 | permissions. However, no additional obligations are imposed on any 586 | author or copyright holder as a result of your choosing to follow a 587 | later version. 588 | 589 | 15. Disclaimer of Warranty. 590 | 591 | THERE IS NO WARRANTY FOR THE PROGRAM, TO THE EXTENT PERMITTED BY 592 | APPLICABLE LAW. EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT 593 | HOLDERS AND/OR OTHER PARTIES PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY 594 | OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, 595 | THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR 596 | PURPOSE. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM 597 | IS WITH YOU. SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF 598 | ALL NECESSARY SERVICING, REPAIR OR CORRECTION. 599 | 600 | 16. Limitation of Liability. 601 | 602 | IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING 603 | WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MODIFIES AND/OR CONVEYS 604 | THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY 605 | GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE 606 | USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF 607 | DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD 608 | PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS), 609 | EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF 610 | SUCH DAMAGES. 611 | 612 | 17. Interpretation of Sections 15 and 16. 613 | 614 | If the disclaimer of warranty and limitation of liability provided 615 | above cannot be given local legal effect according to their terms, 616 | reviewing courts shall apply local law that most closely approximates 617 | an absolute waiver of all civil liability in connection with the 618 | Program, unless a warranty or assumption of liability accompanies a 619 | copy of the Program in return for a fee. 620 | 621 | END OF TERMS AND CONDITIONS 622 | 623 | How to Apply These Terms to Your New Programs 624 | 625 | If you develop a new program, and you want it to be of the greatest 626 | possible use to the public, the best way to achieve this is to make it 627 | free software which everyone can redistribute and change under these terms. 628 | 629 | To do so, attach the following notices to the program. It is safest 630 | to attach them to the start of each source file to most effectively 631 | state the exclusion of warranty; and each file should have at least 632 | the "copyright" line and a pointer to where the full notice is found. 633 | 634 | 635 | Copyright (C) 636 | 637 | This program is free software: you can redistribute it and/or modify 638 | it under the terms of the GNU General Public License as published by 639 | the Free Software Foundation, either version 3 of the License, or 640 | (at your option) any later version. 641 | 642 | This program is distributed in the hope that it will be useful, 643 | but WITHOUT ANY WARRANTY; without even the implied warranty of 644 | MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 645 | GNU General Public License for more details. 646 | 647 | You should have received a copy of the GNU General Public License 648 | along with this program. If not, see . 649 | 650 | Also add information on how to contact you by electronic and paper mail. 651 | 652 | If the program does terminal interaction, make it output a short 653 | notice like this when it starts in an interactive mode: 654 | 655 | Copyright (C) 656 | This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'. 657 | This is free software, and you are welcome to redistribute it 658 | under certain conditions; type `show c' for details. 659 | 660 | The hypothetical commands `show w' and `show c' should show the appropriate 661 | parts of the General Public License. Of course, your program's commands 662 | might be different; for a GUI interface, you would use an "about box". 663 | 664 | You should also get your employer (if you work as a programmer) or school, 665 | if any, to sign a "copyright disclaimer" for the program, if necessary. 666 | For more information on this, and how to apply and follow the GNU GPL, see 667 | . 668 | 669 | The GNU General Public License does not permit incorporating your program 670 | into proprietary programs. If your program is a subroutine library, you 671 | may consider it more useful to permit linking proprietary applications with 672 | the library. If this is what you want to do, use the GNU Lesser General 673 | Public License instead of this License. But first, please read 674 | . 675 | --------------------------------------------------------------------------------