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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Hybrid learning techniques for scientific data reduction with performance guarantees

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Physics-Informed Active Learning With Simultaneous Weak-Form Latent Space Dynamics Identification

The parametric greedy latent space dynamics identification (gLaSDI) framework has demonstrated promising potential for accurate and efficient modeling of high-dimensional nonlinear physical systems. However, it remains challenging to handle noisy data. Here, to enhance robustness against noise, we incorporate the weak-form estimation of nonlinear dynamics (WENDy) into gLaSDI. In the proposed weak-form gLaSDI (WgLaSDI) framework, an autoencoder and WENDy are trained simultaneously to discover intrinsic nonlinear latent-space dynamics of high-dimensional data. Compared with the standard sparse identification of nonlinear dynamics (SINDy) employed in gLaSDI, WENDy enables variance reduction and robust latent space discovery, therefore leading to more accurate and efficient reduced-order modeling. Furthermore, the greedy physics-informed active learning in WgLaSDI enables adaptive sampling of optimal training data on the fly for enhanced modeling accuracy. The effectiveness of the proposed framework is demonstrated by modeling various nonlinear dynamical problems, including viscous and inviscid Burgers' equations, time-dependent radial advection, and the Vlasov equation for plasma physics. With data that contains 5%–10% Gaussian white noise, WgLaSDI outperforms gLaSDI by orders of magnitude, achieving 1%–7% relative errors. Compared with the high-fidelity models, WgLaSDI achieves 121 to 1779x speed-up.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Thermal diffusion, exhaust gas recirculation and blending effects on lean premixed hydrogen flames

Thermodiffusively-unstable lean premixed hydrogen flames are investigated using two-dimensional direct numerical simulation employing finite-rate chemical kinetics. Three databases are generated focussing on the inclusion of the Soret effect, the recirculation of exhaust gas, and blending with methane. A simple rescaling of a classic thermal diffusion model is presented and shown to mimic multicomponent diffusion with very low computational cost and little-to-no loss in accuracy. It is also shown that a previously developed model for mean local flame speeds in lean premixed hydrogen flames can still be used provided Soret effects are taken into account in one-dimensional calculations. The addition of exhaust gas to the unburned mixture is found to enhance thermodiffusive instability; the primary mechanism for this was shown to be the highly-efficient third-body nature of water, with the reduction of adiabatic flame temperature a second-order effect. Again, the existing mean local flame speed model proved sufficient. Finally, blending with methane was found to reduce the thermodiffusive response of the flame, more so than the existing model suggests, despite adjustment of the fuel Lewis number; an adapted model is presented to account for this.

08 HYDROGEN↗
DOE OSTI2020

Rupture Dynamics Simulations of Shallow Crustal Earthquakes on Reverse Slip Faults

The main goal of this study was to perform dynamic rupture simulations in order constrain the characterization of kinematic rupture models implemented in techniques for simulating strong ground motion for crustal earthquakes. First, we investigated the rupture process of the 2008 Iwate-Miyagi Nairiku earthquake by developing a dynamic rupture model on a reverse fault using a trial-and-error technique that produced a slip distribution and near-fault ground motion that matched the recorded ones. The simulations were performed in the frequency range 0-2 Hz, using a 3D staggered grid finite-difference method and a linear slip weakening friction law. Constrained by the observed slip distribution and consistent with dynamic rupture models, the derived kinematic rupture model of the Iwate-Miyagi Nairiku earthquake contains areas with relatively large slip rate, representing strong motion generation areas, set against lower amplitude heterogeneous background slip, and a relatively low slip rate in the weak zone of the top-most crust (upper 3km). Second, we performed rupture dynamics modeling to constrain shallow slip characterization in rupture models for strike-slip crustal earthquakes. The objective was to establish general rules about the characterization of slip rate function and slip at shallow depths and in the strong motion generation areas (SMGAs). The simulations of spontaneous rupture were performed in the frequency range 0-2.0Hz, using a 3D staggered-grid finite-difference method and a layer over half-space 1D crustal velocity model with a minimum shear-wave velocity of 2.8 km/s. In order to account for changes in material ductility and reduction of stress drop, observed in the shallow crust (upper 3-5 km), and the transition from ductile state to brittle state in the upper seismogenic zone, in our stress models we included a shallow weak zone (<4km). In this zone the stress drop was set to zero at the free surface and gradually increased with depth, while the slip weakening distance was set to 75 cm at the free surface and decreased to 50 cm at the base of the weak zone. As in the case of reverse faulting during the Iwate-Miyagi Nairiku earthquake, from these computations we found a systematic change in the shape of the slip-rate function, from Kostrov-type in the deeper part of the fault to a more symmetric cosine-type in the upper few kilometers, near the free-surface. Moreover, the average slip duration in the weak zone, with respect to slip duration in the deeper parts of the fault, increases by at most a factor of 1.5. We found a systematic and gradual change in the shape of the slip-rate function from Kostrov-type in the asperity areas (SMGAs), to more symmetric cosine-type in the upper few km near the free-surface, on the long period motion generation area (LMGA). The effective rise time in the LMGA, with respect to that in the SMGAs, increases by at most a factor of 2. Effective rise time is the time difference between the time at which the slip rate drops to a level that is equal to 25% of its peak and the onset time of the signal. In addition, the slip in the LMGA located above the SMGAs is almost the same as the one in the SMGAs, and about 1.5 times larger than the average slip.

58 GEOSCIENCES↗
DOE OSTI2024

Multifidelity methods for uncertainty quantification of a nonlocal model for phase changes in materials

This study is devoted to the construction of a multifidelity Monte Carlo (MFMC) method for the uncertainty quantification of a nonlocal, non-mass-conserving Cahn-Hilliard model for phase transitions with an obstacle potential. Here, we are interested in estimating the expected value of an output of interest (OoI) that depends on the solution of the nonlocal Cahn-Hilliard model. As opposed to its local counterpart, the nonlocal model captures sharp interfaces without the need for significant mesh refinement. However, the computational cost of the nonlocal Cahn-Hilliard model is higher than that of its local counterpart with similar mesh refinement, inhibiting its use for outer-loop applications such as uncertainty quantification. The MFMC method augments the desired high-fidelity, high-cost OoI with a set of lower-fidelity, lower-cost OoIs to alleviate the computational burden associated with nonlocality. Most of the computational budget is allocated to sampling the cheap surrogate models to achieve speedup, whereas the high-fidelity model is sparsely sampled to maintain accuracy. For the non-mass-conserving nonlocal Cahn-Hilliard model, the use of the MFMC method results in, for a given computational budget, about an order of magnitude reduction in the mean-squared error of the expected value of the OoI relative to that of the Monte Carlo method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Model Reduction for Steady Hypersonic Aerodynamics via Conservative Manifold Least-Squares Petrov–Galerkin Projection

High-speed aerospace engineering applications rely heavily on computational fluid dynamics (CFD) models for design and analysis. This reliance on CFD models necessitates performing accurate and reliable uncertainty quantification (UQ) of the CFD models, which can be very expensive for hypersonic flows. Additionally, UQ approaches are many-query problems requiring many runs with a wide range of input parameters. One way to enable computationally expensive models to be used in such many-query problems is to employ projection-based reduced-order models (ROMs) in lieu of the (high-fidelity) full-order model (FOM). In particular, the least-squares Petrov–Galerkin (LSPG) ROM (equipped with hyper-reduction) has demonstrated the ability to significantly reduce simulation costs while retaining high levels of accuracy on a range of problems, including subsonic CFD applications. This allows LSPG ROM simulations to replace the FOM simulations in UQ studies, making UQ tractable even for large-scale CFD models. This work presents the first application of LSPG to a hypersonic CFD application, the Hypersonic International Flight Research Experimentation 1 (HIFiRE-1) in a three-dimensional, turbulent Mach 7.1 flow. This paper shows the ability of the ROM to significantly reduce computational costs while maintaining high levels of accuracy in computed quantities of interest.

42 ENGINEERING↗
DOE OSTI2024

Singular Perturbation-Based Large-Signal Order Reduction of Microgrids for Stability and Accuracy Synthesis With Control

The increasing penetration of distributed energy resources (DERs) highlights the growing importance of microgrids (MGs) in enhancing power system reliability. Employing electromagnetic transient (EMT) analysis in MGs becomes crucial for controlling the rapid transients. However, this requires an accurate but high-order model of power electronics and their underlying control loops, complexifying the stability analysis from the viewpoint of a higher control level. To overcome these challenges, this paper proposes a large-signal order reduction (LSOR) method for MGs with considerations of external control inputs and the detailed dynamics of underlying control levels based on singular perturbation theory (SPT). Specially, we innovatively proposed and strictly proved a general stability and accuracy assessment theorem that allows us to analyze the dynamic stability of a full-order nonlinear system by only leveraging our derived reduced-order model (ROM) and boundary layer model (BLM). Furthermore, this theorem furnishes a set of conditions that determine the accuracy of the developed ROM. Lastly, by embedding such a theorem into the SPT, we propose a novel LSOR approach with guaranteed accuracy and stability analysis equivalence. Case studies are conducted on MG systems to show the effectiveness of the proposed approach.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2015

Wing Shape Sensing from Measured Strain

A new two-step theory is investigated for predicting the deflection and slope of an entire structure using strain measurements at discrete locations. In the first step, a measured strain is fitted using a piecewise least-squares curve fitting method together with the cubic spline technique. These fitted strains are integrated twice to obtain deflection data along the fibers. In the second step, computed deflection along the fibers are combined with a finite element model of the structure in order to interpolate and extrapolate the deflection and slope of the entire structure through the use of the System Equivalent Reduction and Expansion Process. The theory is first validated on a computational model, a cantilevered rectangular plate wing. The theory is then applied to test data from a cantilevered swept-plate wing model. Computed results are compared with finite element results, results using another strainbased method, and photogrammetry data. For the computational model under an aeroelastic load, maximum deflection errors in the fore and aft, lateral, and vertical directions are -3.2%, 0.28%, and 0.09%, respectively; and maximum slope errors in roll and pitch directions are 0.28% and -3.2%, respectively. For the experimental model, deflection results at the tip are shown to be accurate to within 3.8% of the photogrammetry data and are accurate to within 2.2% in most cases. In general, excellent matching between target and computed values are accomplished in this study. Future refinement of this theory will allow it to monitor the deflection and health of an entire aircraft in real time, allowing for aerodynamic load computation, active flexible motion control, and active induced drag reduction.

shape sensing↗
NASA NTRS2015

Wing Shape Sensing from Measured Strain

A new two-step theory is investigated for predicting the deflection and slope of an entire structure using strain measurements at discrete locations. In the first step, a measured strain is fitted using a piecewise least-squares curve fitting method together with the cubic spline technique. These fitted strains are integrated twice to obtain deflection data along the fibers. In the second step, computed deflection along the fibers are combined with a finite element model of the structure in order to interpolate and extrapolate the deflection and slope of the entire structure through the use of the System Equivalent Reduction and Expansion Process. The theory is first validated on a computational model, a cantilevered rectangular plate wing. The theory is then applied to test data from a cantilevered swept-plate wing model. Computed results are compared with finite element results, results using another strain-based method, and photogrammetry data. For the computational model under an aeroelastic load, maximum deflection errors in the fore and aft, lateral, and vertical directions are -3.2 percent, 0.28 percent, and 0.09 percent, respectively; and maximum slope errors in roll and pitch directions are 0.28 percent and -3.2 percent, respectively. For the experimental model, deflection results at the tip are shown to be accurate to within 3.8 percent of the photogrammetry data and are accurate to within 2.2 percent in most cases. In general, excellent matching between target and computed values are accomplished in this study. Future refinement of this theory will allow it to monitor the deflection and health of an entire aircraft in real time, allowing for aerodynamic load computation, active flexible motion control, and active induced drag reduction..

system equivalent reduction and expansion process↗
NASA NTRS1991

Elevation control system model for the DSS 13 antenna

In order to meet the requirements for precision pointing of 34-m antennas, adequate control design and simulation software have to be developed along with a detailed description of the supporting analytical tools. This article describes a control system model for the elevation drive of the DSS 13 antenna. The model allows one to simulate elevation dynamics, cross-coupled dynamics in azimuth and elevation, and RF pointing error. A modal state-space model of the antenna structure was obtained from its finite-element model with a free rotating tipping structure. Model reduction techniques were applied separately for the antenna model and rate-loop model, thereby reducing the system order to one-third of the original one while preserving its dynamic properties. Extensive simulation results illustrate properties of the model.

Gawronski, W.↗
NASA NTRS2011

Effective Albedo of Vegetated Terrain at L-Band

This paper derives an explicit expression for an effective albedo of vegetated terrain from the zero- and multiple- order radiative transfer (RT) model comparison. The formulation establishes a direct physical link between the effective vegetation parameterization and the theoretical description of absorption and scattering within the canopy. The paper will present an evaluation of the derived albedo for corn canopies with data taken during an experiment at Alabama A&M Winfield A. Thomas Agricultural Research Station near Huntsville, Alabama in June, 1998. The test site consisted of two 50-m x 60-m plots - one with a bare surface and the other with grass cover - and four 30-m x 50-m plots of corn at different planting densities. One corn field was planted at a full density of 9.5 plants/sq m while the others were planted at 1/3, 1/2 and 2/3 of the full density. The fields were observed with a truck-mounted L-band radiometer at incident angle of 15 degree for the period of two weeks. Soil moisture (SM) changed daily due to irrigation and natural rainfall. Variations in gravimetric SM from 18 % to 34 % were seen during this period. Ground truth data, including careful characterization of the corn size and orientation statistics, and its dielectric, was also collected and used to simulate the effective albedo for the vegetation. The single-scattering albedo is defined as the fractional power scattered from individual vegetation constituents with respect to canopy extinction. It represents single-scattering properties of vegetation elements only, and is independent of ground properties. The values of the albedo get higher when there is dense vegetation (i.e. forest, mature corn, etc.) with scatterers, such as branches and trunks (or stalks in the case of corn), which are large with respect to the wavelength. This large albedo leads to a reduction in brightness temperature in the zero-order RT solution (known as tau-omega model). Higher-order multiple-scattering RT solutions are required for proper representation of scattering within vegetation. In this paper, an expression for an effective albedo for the whole canopy including the ground is derived for use in the zero-order RT model-based SM retrieval. This effective albedo takes into account of all the processes taking place within the canopy, including multiple-scattering. This new formulation will be presented and its importance for microwave SM retrieval will be evaluated for corn canopies in conjunction with the detailed ground truth data obtained during the experiment at Alabama in 1998. Emphasis will be placed on examining how the radiometer response to SM is modified by the corn canopy scattering under different field conditions. A semi-empirical parameterization of the effective albedo will be investigated through analysis of SM and vegetation water content effects on the effective albedo.

Kurum, Mehmet↗
NASA NTRS1992

Flutter suppression digital control law design and testing for the AFW wind-tunnel model

Design of a control law for simultaneously suppressing the symmetric and antisymmetric flutter modes of a string mounted fixed-in-roll aeroelastic wind tunnel model is described. The flutter suppression control law was designed using linear quadratic Gaussian theory and involved control law order reduction, a gain root-locus study, and the use of previous experimental results. A 23 percent increase in open-loop flutter dynamic pressure was demonstrated during the wind tunnel test. Rapid roll maneuvers at 11 percent above the symmetric flutter boundary were also performed when the model was in a free-to-roll configuration.

Mukhopadhyay, Vivek↗
NASA NTRS1992

Flutter suppression digital control law design and testing for the AFW wind tunnel model

Design of a control law for simultaneously suppressing the symmetric and antisymmetric flutter modes of a sting mounted fixed-in-roll aeroelastic wind tunnel model is described. The flutter suppression control law was designed using linear quadratic Gaussian theory, and involved control law order reduction, a gain root-locus study and use of previous experimental results. A 23 percent increase in the open-loop flutter dynamic pressure was demonstrated during the wind tunnel test. Rapid roll maneuvers at 11 percent above the symmetric flutter boundary were also performed when the model was in a free-to-roll configuration.

Mukhopadhyay, Vivek↗
NASA NTRS1979

Generation of linear dynamic models from a digital nonlinear simulation

The results and methodology used to derive linear models from a nonlinear simulation are presented. It is shown that averaged positive and negative perturbations in the state variables can reduce numerical errors in finite difference, partial derivative approximations and, in the control inputs, can better approximate the system response in both directions about the operating point. Both explicit and implicit formulations are addressed. Linear models are derived for the F 100 engine, and comparisons of transients are made with the nonlinear simulation. The problem of startup transients in the nonlinear simulation in making these comparisons is addressed. Also, reduction of the linear models is investigated using the modal and normal techniques. Reduced-order models of the F 100 are derived and compared with the full-state models.

Daniele, C. J.↗
DOE OSTI2026

Modeling of a Four-Stage Linear Ionization Cooling Channel for a Muon Collider in g4Beamline

A previous study of an eight-stage rectilinear ionization cooling channel in the ICOOL software demonstrated a five-order-of-magnitude reduction in a muon beam’s 6D emittance. In this study, we look to compare the ways ICOOL and Muons, Inc.’s g4Beamline software model ionization cooling by comparing their modeling of the first four stages of this optimized cooling channel constructed in ICOOL. We begin by identifying the parameters used to construct the optimized ionization cooling channel in ICOOL. We then reconstruct this beam in g4Beamline with identical parameter specifications and simulate the cooling of an identical input beam. Finally, we compare the two simulations based on their beam transmission, longitudinal emittance, and transverse emittance along the channel length. Through this process, we demonstrate that G4Beamline accurately reproduces transverse cooling results but predicts systematically different longitudinal emittance evolution while maintaining similar overall cooling performance, reproducing a 97.9% reduction in 6D emittance over four stages.

Keeler, Dominic [Purdue U., West Lafayette] (ORCID↗
DOE OSTI2026

Modeling of a Four-Stage Linear Ionization Cooling Channel for a Muon Collider in G4Beamline

A previous study of an eight-stage rectilinear ionization cooling channel in the ICOOL software demonstrated a five-order-of-magnitude reduction in a muon beam’s 6D emittance. In this study, we look to compare the ways ICOOL and Muons, Inc.’s g4Beamline software model ionization cooling by comparing their modeling of the first four stages to this optimized cooling channel constructed in ICOOL. We begin by identifying the parameters used to construct the optimized ionization cooling channel in ICOOL. We then reconstruct this beam in g4Beamline with identical parameter specifications and simulate the cooling of an identical input beam. Finally, we compare the two simulations based on their beam transmission, longitudinal emittance, and transverse emittance along the channel length. Through this process, we demonstrate that G4Beamline accurately reproduces transverse cooling results but predicts systematically different longitudinal emittance evolution while maintaining similar overall cooling performance, reproducing a 97.9% reduction in 6D emittance over four stages.

Keeler, Dominic [Purdue U., West Lafayette] (ORCID↗