Physics-guided interpretable data-driven simulations

Applied and Computational Mathematics Seminar
Monday, September 18, 2023 - 2:00pm for 1 hour (actually 50 minutes)
Youngsoo Choi – Lawrence Livermore National Laboratory
Molei Tao

Please Note: This is a virtual seminar. Speaker Bio: Youngsoo is a computational math scientist in Center for Applied Scientific Computing (CASC) under Computing directorate at LLNL. His research focuses on developing efficient reduced order models for various physical simulations for time-sensitive decision-making multi-query problems, such as inverse problems, design optimization, and uncertainty quantification. His expertise includes various scientific computing disciplines. Together with his team and collaborators, he has developed powerful model order reduction techniques, such as machine learning-based nonlinear manifold, space–time reduced order models, and latent space dynamics identification methods for nonlinear dynamical systems. He has also developed the component-wise reduced order model optimization algorithm, which enables fast and accurate computational modeling tools for lattice-structure design. He is currently leading data-driven physical simulation team at LLNL, with whom he developed the open source codes, libROM (i.e.,, LaghosROM (i.e.,, LaSDI (i.e.,, gLaSDI (i.e.,, and GPLaSDI (i.e., He earned his undergraduate degree in Civil and Environmental Engineering from Cornell University and his Ph.D. degree in Computational and Mathematical Engineering from Stanford University. He was a postdoctoral scholar at Sandia National Laboratories and Stanford University prior to joining LLNL in 2017.

A computationally expensive physical simulation is a huge bottleneck to advance in science and technology. Fortunately, many data-driven approaches have emerged to accelerate those simulations, thanks to the recent advancements in machine learning (ML) and artificial intelligence. For example, a well-trained 2D convolutional deep neural network can predict the solution of the complex Richtmyer–Meshkov instability problem with a speed-up of 100,000x [1]. However, the traditional black-box ML models do not incorporate existing governing equations, which embed underlying physics, such as conservation of mass, momentum, and energy. Therefore, the black-box ML models often violate important physics laws, which greatly concern physicists, and require big data to compensate for the missing physics information. Additionally, it comes with other disadvantages, such as non-structure-preserving, computationally expensive training phase, non-interpretability, and vulnerability in extrapolation. To resolve these issues, we can bring physics into the data-driven framework. Physics can be incorporated into different stages of data-driven modeling, i.e., the sampling stage and model-building stage. Physics-informed greedy sampling procedure minimizes the number of required training data for a target accuracy [2]. Physics-guided data-driven model better preserves the physical structure and is more robust in extrapolation than traditional black-box ML models. Numerical results, e.g., hydrodynamics [3,4], particle transport [5], plasma physics, and 3D printing, will be shown to demonstrate the performance of the data-driven approaches. The benefits of the data-driven approaches will also be illustrated in multi-query decision-making applications, such as design optimization [6,7].


[1] Jekel, Charles F., Dane M. Sterbentz, Sylvie Aubry, Youngsoo Choi, Daniel A. White, and Jonathan L. Belof. “Using Conservation Laws to Infer Deep Learning Model Accuracy of Richtmyer-meshkov Instabilities.” arXiv preprint arXiv:2208.11477 (2022).
[2] He, Xiaolong, Youngsoo Choi, William D. Fries, Jon Belof, and Jiun-Shyan Chen. “gLaSDI: Parametric Physics-informed Greedy Latent Space Dynamics Identification.” arXiv preprint arXiv:2204.12005 (2022).
[3] Copeland, Dylan Matthew, Siu Wun Cheung, Kevin Huynh, and Youngsoo Choi. “Reduced order models for Lagrangian hydrodynamics.” Computer Methods in Applied Mechanics and Engineering 388 (2022): 114259.
[4] Kim, Youngkyu, Youngsoo Choi, David Widemann, and Tarek Zohdi. “A fast and accurate physics-informed neural network reduced order model with shallow masked autoencoder.” Journal of Computational Physics 451 (2022): 110841.
[5] Choi, Youngsoo, Peter Brown, William Arrighi, Robert Anderson, and Kevin Huynh. “Space–time reduced order model for large-scale linear dynamical systems with application to Boltzmann transport problems.” Journal of Computational Physics 424 (2021): 109845.
[6] McBane, Sean, and Youngsoo Choi. “Component-wise reduced order model lattice-type structure design.” Computer methods in applied mechanics and engineering 381 (2021): 113813.
[7] Choi, Youngsoo, Gabriele Boncoraglio, Spenser Anderson, David Amsallem, and Charbel Farhat. “Gradient-based constrained optimization using a database of linear reduced-order models.” Journal of Computational Physics 423 (2020): 109787.