Engineering PapersSearch

SEARCH · Engineering Papers

Results for “Surrogate”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2

The NASA Langley Research Center's Unmanned Aerial System Surrogate Research Aircraft

Research is needed to determine what procedures, aircraft sensors and other systems will be required to allow Unmanned Aerial Systems (UAS) to safely operate with manned aircraft in the National Airspace System (NAS). The NASA Langley Research Center has transformed a Cirrus Design SR22 general aviation (GA) aircraft into a UAS Surrogate research aircraft to serve as a platform for UAS systems research, development, flight testing and evaluation. The aircraft is manned with a Safety Pilot and systems operator that allows for flight operations almost anywhere in the NAS without the need for a Federal Aviation Administration (FAA) Certificate of Authorization (COA). The UAS Surrogate can be controlled from a modular, transportable ground station like a true UAS. The UAS Surrogate is able to file and fly in the NAS with normal traffic and is a better platform for real world UAS research and development than existing vehicles flying in restricted ranges or other sterilized airspace. The Cirrus Design SR22 aircraft is a small, singleengine, four-place, composite-construction aircraft that NASA Langley acquired to support NASA flight-research programs like the Small Aircraft Transportation System (SATS) Project. Systems were installed to support flight test research and data gathering. These systems include: separate research power; multi-function flat-panel displays; research computers; research air data and inertial state sensors; video recording; data acquisition; data-link; S-band video and data telemetry; Common Airborne Instrumentation System (CAIS); Automatic Dependent Surveillance-Broadcast (ADS-B); instrumented surfaces and controls; and a systems operator work station. The transformation of the SR22 to a UAS Surrogate was accomplished in phases. The first phase was to modify the existing autopilot to accept external commands from a research computer that was connected by redundant data-link radios to a ground control station. An electro-mechanical auto-throttle was added in the next phase to provide ground station control of airspeed. Additional phases are in progress to add waypoint navigation and long range satellite voice and data communications. Potential areas for UAS Surrogate research include the development, flight test and evaluation of sensors to aid in the process of air traffic detect-sense-and-avoid. These sensors could be evaluated in real-time and compared with onboard human evaluation pilots. This paper describes the systems and design considerations that were incorporated in the development of the UAS Surrogate along with details of development problems encountered and the corresponding solutions.

Howell, Charles T., III

Computationally efficient and error aware surrogate construction for numerical solutions of subsurface flow through porous media

Limiting the injection rate to restrict the pressure below a threshold at a critical location can be an important goal of simulations that model the subsurface pressure between injection and extraction wells. The pressure is approximated by the solution of Darcy’s partial differential equation for a given permeability field. The subsurface permeability is modeled as a random field since it is known only up to statistical properties. This induces uncertainty in the computed pressure. Solving the partial differential equation for an ensemble of random permeability simulations enables estimating a probability distribution for the pressure at the critical location. These simulations are computationally expensive, and practitioners often need rapid online guidance for real-time pressure management. An ensemble of numerical partial differential equation solutions is used to construct a Gaussian process regression model that can quickly predict the pressure at the critical location as a function of the extraction rate and permeability realization. The Gaussian process surrogate analyzes the ensemble of numerical pressure solutions at the critical location as noisy observations of the true pressure solution, enabling robust inference using the conditional Gaussian process distribution. Our first novel contribution is to identify a sampling methodology for the random environment and matching kernel technology for which fitting the Gaussian process regression model scales as O ( n log n ) instead of the typical O ( n 3 ) rate in the number of samples n used to fit the surrogate. The surrogate model allows almost instantaneous predictions for the pressure at the critical location as a function of the extraction rate and permeability realization. Our second contribution is a novel algorithm to calibrate the uncertainty in the surrogate model to the discrepancy between the true pressure solution of Darcy’s equation and the numerical solution. Finally, although our method is derived for building a surrogate for the solution of Darcy’s equation with a random permeability field, the framework broadly applies to solutions of other partial differential equations with random coefficients.

54 ENVIRONMENTAL SCIENCES

Surrogate construction via weight parameterization of residual neural networks

Surrogate model development is a critical step for uncertainty quantification or other sample-intensive tasks for complex computational models. Here, in this work, we develop a multi-output surrogate form using a class of neural networks (NNs) that employ shortcut connections, namely Residual NNs (ResNets). ResNets are known to regularize the surrogate learning problem and improve the efficiency and accuracy of the resulting surrogate. Inspired by the continuous, Neural ODE analogy, we augment ResNets with weight parameterization strategy with respect to ResNet depth. Weight-parameterized ResNets regularize the NN surrogate learning problem and allow better generalization with a drastically reduced number of learnable parameters. We demonstrate that weight-parameterized ResNets are more accurate and efficient than conventional feed-forward multi-layer perceptron networks. We also compare various options for parameterization of the weights as functions of ResNet depth. We demonstrate the results on both synthetic examples and a large scale earth system model of interest.

97 MATHEMATICS AND COMPUTING

Surrogate model evaluation and building energy benchmarking for commercial buildings

Building energy consumption benchmarking involves challenges associated with various energy patterns for different building types; heating, ventilating, and air-conditioning (HVAC) system types; and climates. Given significant variation in energy use patterns, accurate prediction of long-term energy use using surrogate models remains challenging. Multiple linear regression (MLR) is commonly used for building energy benchmarking because of its simple structure; however, it lacks accuracy compared to other black-box models. Although many studies have compared surrogate models and offer guidance on model selection based on metrics, they do not provide detailed analysis on improving the surrogate model accuracy. In this paper, we implement a surrogate model using polynomial ridge regression (i.e., MLR with interaction terms combined with ridge regularization) for small office and retail strip mall buildings across six HVAC system types and all climate zones, for electricity and natural gas in baseline and proposed scenarios. A simulation workflow is developed using OpenStudio TM /EnergyPlus TM to generate simulation data using measures over a wide range of efficiency inputs. Enhancements based on statistical insights are used for improving the model accuracy using filters, input transformations, and change points. Surrogate models achieved average coefficient of variation of the root mean squared error (CVRMSE) values of 2.17, 1.06, 2.05, and 3.26 for proposed electricity, proposed natural gas, baseline electricity, and baseline natural gas, respectively, with enhancements reducing CVRMSE by an average of 14.9% across all combinations. We provide model interpretation via Shapley additive explanations to determine which input variables most influence energy consumption and provide supportive arguments for enhancements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Regional surrogates for predictive control of digital twins

Digital twins of complex systems must involve a model that is fast, generalizable, and usable for real-time control. For example, high-fidelity nonlinear multiphysics simulations can capture laser-material interactions, but are too slow for optimization or model predictive control (MPC). Reduced-order models, used to accelerate such computation, frequently fail to generalize to unseen inputs or control states. We show theoretically that this failure is intrinsic, i.e., that a learned model is non-unique outside the sampled subspace when its low-rank structure arises from limited excitation and clustered eigenvalues, rather than from a user-imposed truncation alone. Motivated by this result, we propose a control-ready regional surrogate-construction framework for both autonomous and nonautonomous dynamics; it employs Koopman lifting to represent nonlinearities, while preserving spatial locality. We illustrate our approach by constructing a control-ready surrogate for the digital twin of a thermal component of additive-manufacturing process. Our surrogate, localized in space through a von Neumann stencil, is learned from noisy high-fidelity simulations that emulate thermal-camera images collected during the manufacturing. It is linear in thermo-physically augmented states so that MPC reduces to a convex quadratic program. The surrogate requires no online correction, generalizes to unseen scan paths and power profiles of the laser, and is more than three orders of magnitude faster than a finite-difference solver. Furthermore, when the MPC sequence computed on the digital twin is applied to this solver, closed-loop temperature regulation is recovered, showing that the surrogate preserves control-relevant input-output behavior.

Data-driven model

A hybrid surrogate modeling framework for the Digital Twin of a Fluoride-salt-cooled High-temperature Reactor (FHR)

While nuclear energy is a non-greenhouse-gas emitting energy source, expensive operational costs due to the high-level of safety requirements decreases their competitiveness in the sustainable energy market. Advanced reactor concepts paired with Digital Twins aim to increase the commercialization gains of nuclear energy by reducing operational costs, increasing reactor reliability and enhancing power generation. To support Digital Twin tasks such as real-time autonomous control, proactive maintenance monitoring or optimizing power demand operations, a fast and accurate virtual representation of the Nuclear Power Plant (NPP) is required. The computational cost of high-fidelity, physics-based models are unsuitable for real-time analysis or scalability. Here, in this work, a hybrid surrogate modeling framework is developed fora Fluoride-salt-cooled High-temperature Reactor (FHR) that leverages physics-inspired models for key reactor components and uses data-driven methods for rapid system state space prediction. The Xenon reactivity feedback model is integrated to inform the surrogate model about the reactor core and the homologous pump theory model is the basis for representing pump degradation. Using a detailed, two dimensional thermal hydraulics model to generate data on the FHR, we train a network of Vectorized Autoregressive Moving-Average with eXogenous input (VARMAX) models to predict the remaining state values. The result is a surrogate model that provides a detailed reactor state representation of 41 system states and a pump degradation analysis. The framework is applied to Load Follows profiles, yielding high accuracy and a speedup that is more than 4000x faster compared to the higher- fidelity thermal hydraulics model, enabling real-time operational intelligence and applications in long horizon predictions. While the surrogate model framework is demonstrated for the particular case of FHR, the hybrid physical/data-driven modeling approach including the network of surrogates and the underlying modularity has the potential to be applied to other physical asset systems.

Digital Twins

Generative diffusion model surrogates for mechanistic agent-based biological models

Mechanistic, multicellular, agent-based models are commonly used to investigate tissue, organ, and organism-scale biology at single-cell resolution. The Cellular-Potts Model (CPM) is a powerful and popular framework for developing and interrogating these models. CPMs become computationally expensive at large space- and time- scales making application and investigation of developed models difficult. Surrogate models may allow for the accelerated evaluation of CPMs of complex biological systems. However, the stochastic nature of these models means each set of parameters may give rise to different model configurations, complicating surrogate model development. In this work, we leverage denoising diffusion probabilistic models (DDPMs) to train a generative AI surrogate of a CPM used to investigate in vitro vasculogenesis. We describe the use of an image classifier to learn the characteristics that define unique areas of a 2-dimensional parameter space. We then apply this classifier to aid in surrogate model selection and verification. Our CPM model surrogate generates model configurations 20,000 timesteps ahead of a reference configuration and demonstrates approximately a 22x reduction in computational time as compared to native code execution. Our work represents a step towards the implementation of DDPMs to develop digital twins of stochastic biological systems.

97 MATHEMATICS AND COMPUTING

Surrogate Model Integration with MOOSE XFEM for Creep Crack Growth

Ferritic-martensitic steels are key structural materials for advanced reactors but experience time-dependent deformation and damage under prolonged high temperature and irradiation, leading to creep-driven crack initiation and growth. High-fidelity models—crystal plasticity with irradiation mechanisms, phase-field for microstructural evolution, and continuum-damage viscoplasticity—capture the underlying physics but are too computationally intensive for broad design-space exploration and uncertainty quantification. This milestone advances a scalable alternative by integrating a microstructure-sensitive surrogate creep model into the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework and extending it to fracture via the extended finite element method (XFEM). The surrogate model, developed with collaborators at Sandia and Los Alamos National Laboratories, maps relevant microstructural descriptors to the viscoplastic response of HT9. We embed this surrogate within a coupled deformation-damage workflow in MOOSE/XFEM to simulate creep-driven crack initiation and propagation. Implementation enhancements include updates to the material interface, a plastic correction phase involving microstructure evolution, and fracture criteria to ensure numerical robustness and compatibility with the surrogate structure. Demonstrations on canonical creep benchmarks spanning uniaxial and multiaxial states show that the surrogate reproduces key trends of high-fidelity models while substantially reducing computational cost. The resulting capability bridges physics fidelity and performance, providing a practical path to a predictive, microstructure-aware assessment of creep and fracture in reactor materials.

36 - MATERIALS SCIENCE

Karhunen–Loève deep learning method for surrogate modeling and approximate Bayesian parameter estimation

We evaluate the performance of the Karhunen-Loève Deep Neural Network (KL-DNN) framework for surrogate modeling and approximate Bayesian parameter estimation in partial differential equation models. In the surrogate model, the Karhunen-Loève (KL) expansions are used for the dimensionality reduction of the number of unknown parameters and variables, and a deep neural network is employed to relate the reduced space of parameters to that of the state variables. The KL-DNN surrogate model is used to formulate a maximum-a-posteriori-like least-squares problem, which is randomized to draw samples of the posterior distribution of the parameters. We test the proposed framework for a hypothetical unconfined aquifer via comparison with the forward MODFLOW and inverse PEST++ iterative ensemble smoother (IES) solutions as well as the state-of-the-art Fourier neural operator (FNO) and deep operator networks (DeepONets) operator learning surrogate models. Our results show that the KL-DNN surrogate model outperforms FNO and DeepONet for forward predictions. For solving inverse problems, the randomized algorithm provides the same or more accurate Bayesian predictions of the parameters than IES as evidenced by the higher log-predictive probability of both the estimated parameter field and the forecast hydraulic head. The posterior mean obtained from the randomized algorithm is closer to the reference parameter field than that obtained with FNO as the maximum a posteriori estimate.

Approximate Bayesian inference

Experimental and fuel-surrogates modeling study of the high-pressure pyrolysis of specialty cetane number fuels: implications for fall-off in ethylene unimolecular dissociation

Single pulse shock tube experiments were conducted at 50 atm nominal pressure and 4 ms nominal reaction time over a temperature range of 900–1800 K, to study the pyrolysis speciation of a multi-component jet fuel, F-24, and six cetane number (CN) specialty fuels - CN30, CN35, CN40, CN45, CN50, and CN55. Gas chromatography (GC) was used to qualitatively and quantitatively analyze the post shock gases. The relationship between the formation of key pyrolysis species and the chemically controlled combustion propensity as reflected by the cetane number of each fuel was examined. A surrogate-based mechanism from the CRECK Modelling Group and chemical-functional group based optimized surrogates (CFGO) were used to simulate the pyrolysis speciation results. The model was able to capture the chemistry of most species except two important pyrolysis intermediates – ethylene and acetylene. Chemical kinetic analyses were performed to identify the important reactions which affect the chemistry of these species; however, the rate parameters of critical reactions were found to be unsuitable for simulating the present high-pressure studies. Here, to address this unsuitability, a theory-based fall-off analysis for three reactions representing the decomposition of ethylene and subsequent formation of acetylene was performed, and these are included in an updated version of the CRECK mechanism. This update resolves discrepancies between the experimental results and simulations for ethylene and acetylene. Reaction flux analyses using the updated surrogate model were also performed to identify the important reaction pathways responsible for the formation of crucial species and to provide an analysis of the chemistry of complex multi-component fuel systems. The fundamental reactions responsible for driving pyrolysis chemistry were greatly influenced by the chemical functional groups present in these fuels. In addition to updating the rate parameters of specific reactions to improve modeling, this study also emphasizes the effectiveness of the fuel-surrogate approach, where surrogates representing the chemical functional group composition of the parent fuel serve as a valuable tool for predicting the combustion chemistry of novel fuels.

Chemical Kinetics

Higher-order factorization machine for accurate surrogate modeling in material design

Efficient and robust optimization is important in material science for identifying optimal structural parameters and enhancing material performance. Surrogate-based active learning algorithms have recently gained great attention for their ability to efficiently navigate large, high-dimensional design spaces. Among surrogate models, 2 nd -order factorization machine (FM) models are widely employed as the surrogate model in active learning algorithms due to their balance between simplicity and effectiveness. However, their quadratic nature limits their capacity to capture complex, higher-order interactions among variables, often leading to suboptimal solutions. To overcome this limitation, we propose an active learning scheme integrating a 3 rd -order FM model, capable of modeling three-variable interactions and more intricate relationships in material systems. We comprehensively evaluate the surrogate modeling performance of the 3 rd -order FM case using various objective functions. Furthermore, we examine the optimization reliability and efficiency of the 3 rd -order FM-based active learning in a real-world material design task (e.g., nanophotonic structures for transparent radiative cooling). Our study shows that the 3 rd -order FM outperforms the 2 nd -order model in both surrogate accuracy and optimization performance, highlighting higher-order models’ promises for material design and optimization problems.

Factorization machine

Acceleration of Power System Dynamic Simulations Using a Deep Equilibrium Layer and Neural ODE Surrogate

The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based resources exacerbates the computational burden of running time domain simulations. Here, in this paper, we propose a data-driven surrogate model based on implicit machine learningspecifically deep equilibrium layers and neural ordinary differential equationsto learn a reduced order model of a portion of the full underlying system. The data-driven surrogate achieves similar accuracy and reduction in simulation time compared to a physics-based surrogate, without the constraint of requiring detailed knowledge of the underlying dynamic models. This work also establishes key requirements needed to integrate the surrogate into existing simulation workflows; the proposed surrogate is initialized to a steady state operating point that matches the power flow solution by design.

Neural ordinary differential equations

Computer-Simulation Surrogates for Optimization: Application to Trapezoidal Ducts and Axisymmetric Bodies

Engineering design and optimization efforts using computational systems rapidly become resource intensive. The goal of the surrogate-based approach is to perform a complete optimization with limited resources. In this paper we present a Bayesian-validated approach that informs the designer as to how well the surrogate performs; in particular, our surrogate framework provides precise (albeit probabilistic) bounds on the errors incurred in the surrogate-for-simulation substitution. The theory and algorithms of our computer{simulation surrogate framework are first described. The utility of the framework is then demonstrated through two illustrative examples: maximization of the flowrate of fully developed ow in trapezoidal ducts; and design of an axisymmetric body that achieves a target Stokes drag.

Otto, John C.

Surrogate-based Analysis and Optimization

A major challenge to the successful full-scale development of modem aerospace systems is to address competing objectives such as improved performance, reduced costs, and enhanced safety. Accurate, high-fidelity models are typically time consuming and computationally expensive. Furthermore, informed decisions should be made with an understanding of the impact (global sensitivity) of the design variables on the different objectives. In this context, the so-called surrogate-based approach for analysis and optimization can play a very valuable role. The surrogates are constructed using data drawn from high-fidelity models, and provide fast approximations of the objectives and constraints at new design points, thereby making sensitivity and optimization studies feasible. This paper provides a comprehensive discussion of the fundamental issues that arise in surrogate-based analysis and optimization (SBAO), highlighting concepts, methods, techniques, as well as practical implications. The issues addressed include the selection of the loss function and regularization criteria for constructing the surrogates, design of experiments, surrogate selection and construction, sensitivity analysis, convergence, and optimization. The multi-objective optimal design of a liquid rocket injector is presented to highlight the state of the art and to help guide future efforts.

Queipo, Nestor V.

The Use of a Satellite Communications System for Command and Control of the National Aeronautics and Space Administration Surrogate Unmanned Aerial System Research Aircraft

The NASA Langley Research Center has transformed a Cirrus Design SR22 general aviation (GA) aircraft into an Unmanned Aerial Systems (UAS) Surrogate research aircraft which has served for several years as a platform for unmanned systems research and development. The aircraft is manned with a Safety Pilot and a Research Systems Operator (RSO) that allows for flight operations almost any-where in the national airspace system (NAS) without the need for a Federal Aviation Administration (FAA) Certificate of Authorization (COA). The UAS Surrogate can be remotely controlled from a modular, transportable ground control station (GCS) like a true UAS. Ground control of the aircraft is accomplished by the use of data links that allow the two-way passage of the required data to control the aircraft and provide the GCS with situational awareness. The original UAS Surrogate data-link system was composed of redundant very high frequency (VHF) data radio modems with a maximum range of approximately 40 nautical miles. A new requirement was developed to extend this range beyond visual range (BVR). This new requirement led to the development of a satellite communications system that provided the means to command and control the UAS Surrogate at ranges beyond the limits of the VHF data links. The system makes use of the Globalstar low earth orbit (LEO) satellite communications system. This paper will provide details of the development, implementation, and flight testing of the satellite data communications system on the UAS Surrogate research aircraft.

Howell, Charles T.

Probabilistic Sensitivity Analyses Incorporating Surrogate Models for the Structural Response of a Representative Inflatable Space Structure

This study concentrates on results from probabilistic analysis and numerical simulation tools to identify parameter sensitivities and assess surrogate model suitability for a novel inflatable airlock concept, specifically the Non-Axisymmetric Inflatable Pressure Structure (NAIPS) under NASA's Minimalistic Advanced Softgoods Hatch (MASH) Program. The current studies extended the demonstration of probabilistic analysis tools to identify parameter sensitivities by: incorporating nonlinear material load-strain property curves and orthotropic representation of the fabric; and exploring the use of surrogate models to facilitate rapid evaluations as new information becomes available, as well as enable optimizations. The airlock model has been simplified to focus on the end dome section. Brief overviews of the finite element model and associated surrogate models are provided along with the probabilistic sensitivity analysis approaches. Responses of interest include the sensitivities of various loads in the structural elements of the NAIPS to material properties, cord lengths, inflation pressure and friction between softgoods components. The use of surrogate models was explored to facilitate rapid sensitivity evaluations as parameter ranges change. The completion of the sensitivity studies improved understanding of the dependence of load responses to several uncertain parameters and confidence in the ability to use surrogate models to represent the finite element simulations.

Lyle, Karen H.

Data-Driven Surrogate Modeling with Microstructure-Sensitivity of Viscoplastic Creep in Grade 91 Steel

Abstract To support the development of advanced steel alloys tailored to withstand extreme conditions, it is imperative to account for the mechanical performance of components, while considering the influence of local microstructure on the macroscopic response. To this end, this study focuses on the development of microstructure-sensitive constitutive models for the mechanical response of Grade 91 steel exposed to extreme thermo-mechanical environments. Polynomial chaos expansion (PCE) surrogates are used to emulate high-fidelity polycrystal simulations of the viscoplastic response of Grade 91 steel as a function of the microstructure fingerprint (e.g., dislocations and precipitates). To cover a wide temperature–stress domain, two separate PCE surrogates—one that captures softening and the other that captures hardening behavior—are combined using another (sparse) Gaussian process regression model. The resulting constitutive creep surrogate model is integrated within the MOOSE finite element framework to simulate the intricate effects of microstructure, in particular MX-phase precipitates, on a component with a graded microstructure. Surrogate sensitivity analysis is applied to quantify the relevant impact of spatially varying microstructure on the creep response in a test-case involving a Grade 91 alloy with a prototypical weld.

36 MATERIALS SCIENCE

Surrogate-driven design optimization with uncertainty constraints in Monte Carlo simulations

In multi-objective design tasks, the computational cost increases rapidly when high-fidelity simulations are used to evaluate objective functions. Surrogate models help mitigate this cost by approximating the simulation output, simplifying the design process. However, under high uncertainty, surrogate models trained on noisy data can produce inaccurate predictions, as their performance depends heavily on the quality of training data. This study investigates the impact of data uncertainty on two multi-objective design problems modelled using Monte Carlo transport simulations: a neutron moderator and an ion-to-neutron converter. For each, a grid search was performed using five different tally uncertainty levels to generate training data for neural network surrogate models. These models were then optimized using NSGA-III. The recovered Pareto-fronts were analyzed across uncertainty levels: in the moderator problem, normalized hypervolume dropped from 0.886 at 1.0% uncertainty to 0.748 at 10% uncertainty, while in the converter problem it remained near 0.50 for all cases. Average simulation times were also compared to evaluate the trade-off between accuracy and computational cost. Results show that the influence of simulation uncertainty is strongly problem-dependent. In the neutron moderator case, higher uncertainties led to exaggerated objective sensitivities and distorted Pareto-fronts, reducing normalized hypervolume. In contrast, the ion-to-neutron converter task was less affected—low-fidelity simulations produced results similar to those from high-fidelity data. These findings suggest that a fixed-fidelity approach is not optimal. Surrogate models can recover the Pareto-front under noisy conditions, and multi-fidelity studies help identify suitable uncertainty levels for each problem to balance efficiency and accuracy.

07 ISOTOPE AND RADIATION SOURCES