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DOE OSTI2022

Bayesian operator inference for data-driven reduced-order modeling

This work proposes a Bayesian inference method for the reduced-order modeling of time-dependent systems. Informed by the structure of the governing equations, the task of learning a reduced-order model from data is posed as a Bayesian inverse problem with Gaussian prior and likelihood. The resulting posterior distribution characterizes the operators defining the reduced-order model, hence the predictions subsequently issued by the reduced-order model are endowed with uncertainty. The statistical moments of these predictions are estimated via a Monte Carlo sampling of the posterior distribution. Since the reduced models are fast to solve, this sampling is computationally efficient. Furthermore, the proposed Bayesian framework provides a statistical interpretation of the regularization term that is present in the deterministic operator inference problem, and the empirical Bayes approach of maximum marginal likelihood suggests a selection algorithm for the regularization hyperparameters. The proposed method is demonstrated on two examples: the compressible Euler equations with noise-corrupted observations, and a single-injector combustion process.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

A generalized framework for reduced-order modeling of a wind turbine wake

A reduced-order model for a wind turbine wake is sought from large eddy simulation data. Fluctuating velocity fields are combined in the correlation tensor to form the kernel of the proper orthogonal decomposition (POD). Proper orthogonal decomposition modes resulting from the decomposition represent the spatially coherent turbulence structures in the wind turbine wake; eigenvalues delineate the relative amount of turbulent kinetic energy associated with each mode. Back-projecting the POD modes onto the velocity snapshots produces dynamic coefficients that express the amplitude of each mode in time. A reduced-order model of the wind turbine wake (wakeROM) is defined through a series of polynomial parameters that quantify mode interaction and the evolution of each POD mode coefficients. The resulting system of ordinary differential equations models the wind turbine wake composed only of the large-scale turbulent dynamics identified by the POD. Tikhonov regularization is used to recalibrate the dynamical system by adding additional constraints to the minimization seeking polynomial parameters, reducing error in the modeled mode coefficients. The wakeROM is periodically reinitialized with new initial conditions found by relating the incoming turbulent velocity to the POD mode coefficients through a series of open-loop transfer functions. The wakeROM reproduces mode coefficients to within 25.2%, quantified through the normalized root-mean-square error. Furthermore, a high-level view of the modeling approach is provided as a platform to discuss promising research directions, alternate processes that could benefit stability and efficiency, and desired extensions of the wakeROM.

17 WIND ENERGY↗

DOE OSTI2022

Enhancing high-fidelity nonlinear solver with reduced order model

Abstract We propose the use of reduced order modeling (ROM) to reduce the computational cost and improve the convergence rate of nonlinear solvers of full order models (FOM) for solving partial differential equations. In this study, a novel ROM-assisted approach is developed to improve the computational efficiency of FOM nonlinear solvers by using ROM’s prediction as an initial guess. We hypothesize that the nonlinear solver will take fewer steps to the converged solutions with an initial guess that is closer to the real solutions. To evaluate our approach, four physical problems with varying degrees of nonlinearity in flow and mechanics have been tested: Richards’ equation of water flow in heterogeneous porous media, a contact problem in a hyperelastic material, two-phase flow in layered porous media, and fracture propagation in a homogeneous material. Overall, our approach maintains the FOM’s accuracy while speeding up nonlinear solver by 18–73% (through suitable ROM-assisted FOMs). More importantly, the proximity of ROM’s prediction to the solution space leads to the improved convergence of FOMs that would have otherwise diverged with default initial guesses. We demonstrate that the ROM’s accuracy can impact the computational efficiency with more accurate ROM solutions, resulting in a better cost reduction. We also illustrate that this approach could be used in many FOM discretizations (e.g., finite volume, finite element, or a combination of those). Since our ROMs are data-driven and non-intrusive, the proposed procedure can easily lend itself to any nonlinear physics-based problem.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Space–time reduced order model for large-scale linear dynamical systems with application to Boltzmann transport problems

A classical reduced order model for dynamical problems involves spatial reduction of the problem size. However, temporal reduction accompanied by the spatial reduction can further reduce the problem size without losing much accuracy, which results in a considerably more speed-up than the spatial reduction only. Recently, a novel space–time reduced order model for dynamical problems has been developed [17], where the space–time reduced order model shows an order of a hundred speed-up with a relative error of 10 –4 for small academic problems. However, in order for the method to be applicable to a large-scale problem, an efficient space–time reduced basis construction algorithm needs to be developed. Here we present the incremental space–time reduced basis construction algorithm. The incremental algorithm is fully parallel and scalable. Additionally, the block structure in the space–time reduced basis is exploited, which enables the avoidance of constructing the reduced space–time basis. These novel techniques are applied to a large-scale particle transport simulation with million and billion degrees of freedom. The numerical example shows that the algorithm is scalable and practical. Also, it achieves a tremendous speed-up, maintaining a good accuracy. Finally, error bounds for space-only and space–time reduced order models are derived.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

A long short-term memory embedding for hybrid uplifted reduced order models

In this paper, we introduce an uplifted reduced order modeling (UROM) approach through the integration of standard projection based methods with long short-term memory (LSTM) embedding. Our approach has three modeling layers or components. In the first layer, we utilize an intrusive projection approach to model dynamics represented by the largest modes. The second layer consists of an LSTM model to account for residuals beyond this truncation. This closure layer refers to the process of including the residual effect of the discarded modes into the dynamics of the largest scales. However, the feasibility of generating a low rank approximation tails off for higher Kolmogorov n -width systems due to the underlying nonlinear processes. The third uplifting layer, called super-resolution, addresses this limited representation issue by expanding the span into a larger number of modes utilizing the versatility of LSTM. Therefore, our model integrates a physics-based projection model with a memory embedded LSTM closure and an LSTM based super-resolution model. In several applications, we exploit the use of Grassmann manifold to construct UROM for unseen conditions. We performed numerical experiments by using the Burgers and Navier-Stokes equations with quadratic nonlinearity. Finally, our results show robustness of the proposed approach in building reduced order models for parameterized systems and confirm the improved trade-off between accuracy and efficiency.

42 ENGINEERING↗

DOE OSTI2019

A nonlinear data-driven reduced order model for computational homogenization with physics/pattern-guided sampling

Developing an accurate nonlinear reduced order model from simulation data has been an outstanding research topic for many years. For many physical systems, data collection is very expensive and the optimal data distribution is not known in advance. Thus, maximizing the information gain remains a grand challenge. In a recent paper, Bhattacharjee and Matouš (2016) proposed a manifold-based nonlinear reduced order model for multiscale problems in mechanics of materials. Expanding this work here, we develop a novel sampling strategy based on the physics/pattern-guided data distribution. Our adaptive sampling strategy relies on enrichment of sub-manifolds based on the principal stretches and rotational sensitivity analysis. This novel sampling strategy substantially decreases the number of snapshots needed for accurate reduced order model construction (i.e., ~5 x reduction of snapshots over Bhattacharjee and Matouš (2016)). Moreover, we build the nonlinear manifold using the displacement rather than deformation gradient data. We provide rigorous verification and error assessment. We demonstrate both localization and homogenization of the multiscale solution on a large particulate composite unit cell.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Non-Intrusive Inference Reduced Order Model for Fluids Using Deep Multistep Neural Network

In this effort we propose a data-driven learning framework for reduced order modeling of fluid dynamics. Designing accurate and efficient reduced order models for nonlinear fluid dynamic problems is challenging for many practical engineering applications. Classical projection-based model reduction methods generate reduced systems by projecting full-order differential operators into low-dimensional subspaces. However, these techniques usually lead to severe instabilities in the presence of highly nonlinear dynamics, which dramatically deteriorates the accuracy of the reduced-order models. In contrast, our new framework exploits linear multistep networks, based on implicit Adams–Moulton schemes, to construct the reduced system. The advantage is that the method optimally approximates the full order model in the low-dimensional space with a given supervised learning task. Moreover, our approach is non-intrusive, such that it can be applied to other complex nonlinear dynamical systems with sophisticated legacy codes. We demonstrate the performance of our method through the numerical simulation of a two-dimensional flow past a circular cylinder with Reynolds number Re = 100. The results reveal that the new data-driven model is significantly more accurate than standard projection-based approaches.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Reduced order models for Lagrangian hydrodynamics

It is reported, as a mathematical model of high-speed flow and shock wave propagation in a complex multimaterial setting, Lagrangian hydrodynamics is characterized by moving meshes, advection-dominated solutions, and moving shock fronts with sharp gradients. These challenges hinder the existing projection-based model reduction schemes from being practical. We develop several variations of projection-based reduced order model techniques for Lagrangian hydrodynamics by introducing three different reduced bases for position, velocity, and energy fields. A time-windowing approach is also developed to address the challenge imposed by the advection-dominated solutions. Lagrangian hydrodynamics is formulated as a nonlinear problem, which requires a proper hyper-reduction technique. Therefore, we apply the over-sampling DEIM and SNS approaches to reduce the complexity due to the nonlinear terms. Finally, we also present both a posteriori and a priori error bounds associated with our reduced order model. We compare the performance of the spatial and time-windowing reduced order modeling approaches in terms of accuracy and speed-up with respect to the corresponding full order model for several numerical examples, namely Sedov blast, Gresho vortices, Taylor-Green vortices, and triple-point problems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Constrained reduced-order models based on proper orthogonal decomposition

A novel approach is presented to constrain reduced-order models (ROM) based on proper orthogonal decomposition (POD). The Karush–Kuhn–Tucker (KKT) conditions were applied to the traditional reduced-order model to constrain the solution to user-defined bounds. The constrained reduced-order model (C-ROM) was applied and validated against the analytical solution to the first-order wave equation. C-ROM was also applied to the analysis of fluidized beds. Lastly, it was shown that the ROM and C-ROM produced accurate results and that C-ROM was less sensitive to error propagation through time than the ROM.

42 ENGINEERING↗

DOE OSTI2019

Propagating uncertainties in large-scale hemodynamics models via network uncertainty quantification and reduced-order modeling

Numerical simulations of the cardiovascular system are affected by uncertainties arising from a substantial lack of data related to the boundary conditions and the physical parameters of the mathematical models. Quantifying the impact of this uncertainty on the numerical results along the circulatory network is challenged by the complexity of both the morphology of the domain and the local dynamics. Here, we propose to integrate (i) the Transverse Enriched Pipe Element Methods (TEPEM) as a reduced-order model for effectively computing the 3D local hemodynamics; and (ii) a combination of uncertainty quantification via Polynomial Chaos Expansion and classical relaxation methods – called network uncertainty quantification (NetUQ) – for effectively propagating random variables that encode uncertainties throughout the networks. The findings demonstrate the computational effectiveness of computing the propagation of uncertainties in networks with nontrivial topology, including portions of the cerebral and the coronary systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Use of Sobol’ Variance-Based Global Sensitivity Analysis and Multidimensional Legendre Polynomial Fitting for Reduced Order Modeling

Sandia National Laboratories (SNL) has developed a novel reduced order modeling approach. Prioritization of inputs is accomplished using Sobo' indices obtained through a more efficient variance-based global sensitivity analysis. To determine the Sobo' functions, simulated input values are aligned to collocation points to permit the use of Gauss-Lobatto integration, thereby reducing the number of simulation trials needed by more than an order of magnitude compared to standard Monte Carlo approaches. Furthermore, by leveraging the orthogonality of Legendre polynomials in conjunction with those same simulations at the collocation nodes, an efficient fitting method is developed to represent the Sobo' functions from which a reduced order model (ROM) is constructed. The developed method is both more efficient computationally, and the resulting ROM is more accurate. The efficacy of this technique is demonstrated on a nonlinear polynomial test function as well as the nonlinear Ishigami and Sobo' g functions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Physics-informed machine learning for fault-leakage reduced-order modeling

Geologic carbon storage (GCS) is a promising technology for mitigating CO 2 emissions. The overall success of GCS depends on safe operations that are informed by risk assessment and have proper mitigation plans in place. Performing quantitative probabilistic risk assessment for a GCS site using traditional reservoir simulators can be challenging due to the high computational costs. To overcome this challenge, the US Department of Energy’s National Risk Assessment Partnership (NRAP) project has developed an integrated assessment modeling approach that utilizes computationally efficient reduced-order models (ROM) for simulating various parts of a GCS storage site to quantify uncertainty. Here, in this study, we develop a reduced-order model for fault leakage risk assessment. We use a deep learning approach to build the reduced-order model. We perform a sensitivity analysis and find that the deep learning model yields high accuracy with a much smaller computational cost than full-physics simulation. We also evaluate the performance of the model in scenarios where simulations are not possible to run, providing analysis not previously performed in fault-leakage ROM analyses. Based on a sensitivity analysis of the model, we suggest a simplified conceptual model for fault leakage and site monitoring.

58 GEOSCIENCES↗

DOE OSTI2024

Reduced Order Model for Guided Wave Propagation on Gas Pipelines to Enable Real-Time Simulation

Reduced order model for simulation of Guided wave propagation is presented here. The utilization of reduced order models ensures efficient data generation for a variety of parameters where it takes huge computational effort to simulate, crucial for timely monitoring and decision-making. Autoencoder based reduced order models are proposed here, which are trained on simulated data from open-source finite element framework, Firedrake.

Bukka, Sandeep Reddy↗

DOE OSTI2024

Reduced Order Model for Guided Wave Propagation on Gas Pipelines to Enable Real-Time Simulation

Bukka, Sandeep Reddy↗

DOE OSTI2021

A fast and accurate physics-informed neural network reduced order model with shallow masked autoencoder

Traditional linear subspace reduced order models (LS-ROMs) are able to accelerate physical simulations in which the intrinsic solution space falls into a subspace with a small dimension, i.e., the solution space has a small Kolmogorov n-width. However, for physical phenomena not of this type, e.g., any advection-dominated flow phenomena such as in traffic flow, atmospheric flows, and air flow over vehicles, a low-dimensional linear subspace poorly approximates the solution. To address cases such as these, we have developed a fast and accurate physics-informed neural network ROM, namely nonlinear manifold ROM (NM-ROM), which can better approximate high-fidelity model solutions with a smaller latent space dimension than the LS-ROMs. Our method takes advantage of the existing numerical methods that are used to solve the corresponding full order models. The efficiency is achieved by developing a hyper-reduction technique in the context of the NM-ROM. Numerical results show that neural networks can learn a more efficient latent space representation on advection-dominated data from 1D and 2D Burgers' equations. A speedup of up to 2.6 for 1D Burgers' and a speedup of 11.7 for 2D Burgers' equations are achieved with an appropriate treatment of the nonlinear terms through a hyper-reduction technique. Lastly, a posteriori error bounds for the NM-ROMs are derived that take account of the hyper-reduced operators.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Domain-decomposition nonlinear manifold reduced order model

This software combines nonlinear-manifold reduced order models (NM-ROMs) with domain decomposition (DD) techniques. NM-ROMs, which utilize a shallow, sparse autoencoder trained with full order model (FOM) snapshot data, approximate the FOM state on a nonlinear manifold. These models offer advantages over linear-subspace ROMs (LS-ROMs) particularly in scenarios with slowly decaying Kolmogorov n-width. However, the training of NM-ROMs involves a number of parameters that scale with the size of the FOM, and storing high-dimensional FOM snapshots can significantly increase the cost of ROM training for extreme-scale problems. To mitigate these costs, the software employs DD to partition the FOM into smaller subdomains, computes NM-ROMs for each, and then integrates these to form a global NM-ROM. This strategy offers multiple benefits: it enables parallel training of subdomain NM-ROMs, reduces the number of parameters needed, decreases the dimensional requirements of subdomain FOM training data, and allows for customization to the unique characteristics of each FOM subdomain. The use of a shallow, sparse autoencoder architecture in each subdomain NM-ROM facilitates the application of hyper-reduction (HR), simplifying the nonlinear complexities and enhancing computational speed. This software marks the inaugural application of NM-ROM combined with HR to a DD problem. It features an algebraic DD reformulation of the FOM, training of NM-ROMs with HR for each subdomain, and employs a sequential quadratic programming (SQP) solver for the evaluation of the coupled global NMROM. The effectiveness of the DD NM-ROM with HR is numerically demonstrated on the 2D steady-state Burgers' equation, showing an order of magnitude improvement in accuracy over the DD LS-ROM with HR.

Diaz, AlejandroN↗

DOE OSTI2024

A fast and accurate domain decomposition nonlinear manifold reduced order model

Here, this paper integrates nonlinear-manifold reduced order models (NM-ROMs) with domain decomposition (DD). NM ROMs approximate the full order model (FOM) state in a nonlinear-manifold by training a shallow, sparse autoencoder using FOM snapshot data. These NM-ROMs can be advantageous over linear-subspace ROMs (LS-ROMs) for problems with slowly decaying Kolmogorov n-width. However, the number of NM-ROM parameters that need to be trained scales with the size of the FOM. Moreover, for “extreme-scale” problems, the storage of high-dimensional FOM snapshots alone can make ROM training expensive. To alleviate the training cost, this paper applies DD to the FOM, computes NM-ROMs on each subdomain, and couples them to obtain a global NM-ROM. This approach has several advantages: Subdomain NM-ROMs can be trained in parallel, involve fewer parameters to be trained than global NM-ROMs, require smaller subdomain FOM dimensional training data, and can be tailored to subdomain specific features of the FOM. The shallow, sparse architecture of the autoencoder used in each subdomain NM-ROM allows application of hyper-reduction (HR), reducing the complexity caused by nonlinearity and yielding computational speedup of the NM-ROM. This paper provides the first application of NM-ROM (with HR) to a DD problem. In particular, this paper details an algebraic DD reformulation of the FOM, training a NM-ROM with HR for each sub domain, and a sequential quadratic programming (SQP) solver to evaluate the coupled global NM-ROM. Theoretical convergence results for the SQP method and a priori and a posteriori error estimates for the DD NM-ROM with HR are provided. The proposed DD NM-ROM with HR approach is numerically compared to a DD LS-ROM with HR on the 2D steady-state Burgers’ equation, showing an order of magnitude improvement in accuracy of the proposed DD NM-ROM over the DD LS-ROM.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Sensitivity Analysis, Reduced-order Modeling, and Optimization of a Gas-Cooled Pebble Bed Reactor using Equilibrium-Core and DLOFC Performance

This work presents and applies a workflow for performing design optimization on gas-cooled pebble-bed reactors. Based on previous research, a representative equilibrium core of a pebble-bed reactor and a depressurized loss-of-forced-cooling model are created. These applications are built using the Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically utilizing Griffin, Pronghorn, and Bison. After defining design-related parameters and quantities of interest regarding reactor safety and efficiency, this multiphysics model is sampled using the MOOSE stochastic tools module. The result is a comprehensive dataset of configurations, enabling sensitivity analysis and the generation of reduced-order models. Subsequently, the dataset and reduced-order models are employed in an optimization study aimed at maximizing fuel utilization while adhering to safety and operational constraints. The optimization process leads to an improvement of fuel utilization by approximately 10\%, compared to engineering-judgment-based nominal conditions.

97 - MATHEMATICS AND COMPUTING↗