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Results for “Emulation Modeling”

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.

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At least 109 records · Page 6

Toward shell model interactions with credible uncertainties

Background: The nuclear shell model is a powerful framework for predicting nuclear structure observables, but relies on interaction matrix elements fit to experimental data as its inputs. Extending the shell model's applicability, particularly toward dripline nuclei, requires efficient fitting methods and credible uncertainty quantification. Traditional approaches face computational challenges and may underestimate uncertainties. Purpose: We develop and test a framework combining eigenvector continuation and Markov chain Monte Carlo to efficiently fit shell model interaction matrix elements and quantify their uncertainties. Methods: Eigenvector continuation is used to emulate shell model calculations, reducing computational costs. The emulator enables Markov chain Monte Carlo sampling to optimize interaction matrix elements and rigorously assess parametric uncertainties. Here, the framework is benchmarked using the USDB interaction in the 𝑠⁢𝑑 shell. Results: The emulator reproduces the USDB interaction with negligible error, validating its use in shell model fitting applications. However, we find that to obtain credible predictive intervals, the model defect of the shell model itself, rather than experimental or emulator error, must be taken into account in order to obtain credible uncertainties. Conclusions: The proposed framework provides an efficient and rigorous approach for fitting shell model interactions and quantifying uncertainties. Further, the normality assumption used in the past appears sufficient to describe the distribution of interaction matrix elements. However, it is crucial to account for model correlations to avoid underestimating uncertainties.

Nuclear forces↗

Preliminary results in using Deep Learning to emulate BLOB, a nuclear interaction model

Purpose: A reliable model to simulate nuclear interactions is fundamental for Ion-therapy. We already showed how BLOB (“Boltzmann-Langevin One Body”), a model developed to simulate heavy ion interactions up to few hundreds of MeV/u, could simulate also 12 C reactions in the same energy domain. However, its computation time is too long for any medical application. For this reason we present the possibility of emulating it with a Deep Learning algorithm. Methods: The BLOB final state is a Probability Density Function (PDF) of finding a nucleon in a position of the phase space. We discretised this PDF and trained a Variational Auto-Encoder (VAE) to reproduce such a discrete PDF. As a proof of concept, we developed and trained a VAE to emulate BLOB in simulating the interactions of 12 C with 12 C at 62 MeV/u. To have more control on the generation, we forced the VAE latent space to be organised with respect to the impact parameter (b) training a classifier of b jointly with the VAE. Results: In this work, the distributions obtained from the VAE are similar to the input ones and the computation time needed to use the VAE as a generator is negligible. Conclusions: We show that it is possible to use a Deep Learning approach to emulate a model developed to simulate nuclear reactions in the energy range of interest for Ion-therapy. We foresee the implementation of the generation part in C++ and to interface it with the most used Monte Carlo toolkit: Geant4.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Comparing Emulation Methods for Computer Models with High Dimensional Output

This Master’s Capstone project will present a comparison of statistical models for computer simulation studies. The four models included in this comparison study were chosen for both their proven and diverse methodologies. We will present a case study on hurricane flood data in the Delaware bay which highlights the strengths and weaknesses of each model when applied to a very large spatial field. As computers have gotten faster, we have become interested in modeling increasingly large spatial fields in both size and resolution. Statistical algorithms that are able to efficiently handle these fields have never been more important. We therefore find this comparison to be extremely topical.

42 ENGINEERING↗

A Framework for Parametric and Predictive Uncertainty Quantification in the E3SM Land Model: Assessing Site and Observable Generalizability

Quantifying parametric uncertainty using observations from individual sites provides a critical foundation for Earth system modeling, serving as a necessary first step before scaling up to regional or global applications. This study introduces a novel computational framework designed to enhance model predictability by reducing parametric uncertainty and assessing site and observable generalizability using various observational constraints. The framework integrates five components: Model Simulation, Statistical Emulation, Global Sensitivity Analysis (GSA), Model Calibration, and Model Prediction. Using the E3SM land model, we simulated site-level land-atmosphere carbon and energy fluxes from 2003 to 2007 across five evergreen needleleaf FLUXNET sites, perturbing 26 vegetation-related model parameters. Gaussian process emulators were employed to expedite GSA and model calibration. Four critical parameters that strongly influence selected land-atmosphere fluxes were identified by GSA. Bayesian approaches were used to infer parameter probability distributions leveraging synthetic data and FLUXNET observations. The results reveal that posterior parameter distributions vary significantly across different sites and observables within the same plant functional type. Probabilistic predictions indicate that parameters calibrated at one site can enhance predictive accuracy at other sites, although site heterogeneity may sometimes outweigh parametric uncertainty. Additionally, the probabilistic predictions demonstrate that calibration for one variable can also improve predictability for other variables, thereby maximizing predictive capabilities with limited observations. This framework provides a powerful approach for reducing parametric uncertainty in Earth system models and deepening our understanding of carbon dynamics and energy cycles. Its adaptability makes it a valuable tool for broader applications in Earth system modeling.

54 ENVIRONMENTAL SCIENCES↗

Joint Analysis of Small-scale Galaxy Clustering and Galaxy–Galaxy Lensing from BOSS Galaxies

We present a joint analysis of galaxy clustering and galaxy–galaxy lensing measurements from BOSS galaxies using a simulation-based emulation method combined with a halo occupation distribution model. Our emulators are constructed with the Aemulus ν simulations, a suite of wνCDM N-body simulations with massive neutrinos as independent particle species. We combine small-scale analysis of clustering from 0.1 to 60.2 h −1 Mpc and lensing from 1.7 to 60.2 h −1 Mpc to perform cosmological constraints. We split the BOSS galaxies into three redshift bins to measure their clustering and employ galaxies from Dark Energy Camera Legacy Survey and Hyper Suprime-Cam as source galaxies to measure lensing separately. We find that the addition of lensing significantly improves the constraining power on $S_8 = σ_8(Ω_m/0.3)^{0.5}$, with a weak improvement for fσ 8 . Our results of fσ 8 indicate tensions of around 1σ−4σ below the results of the cosmic microwave background observations of Planck. For S 8 , our results are also lower than Planck, and the tension can be mitigated when considering possible systematics in lensing measurement. As a by-product, our analysis prefers a nonzero neutrino mass but without strong significance, with the constraining power dominated by the clustering. Given the accuracy and precision of our model and the observational data, it is anticipated that larger and higher-quality spectroscopic data sets will improve the constraints on this fundamental property in the near future.

Gao, Wenhao [Shanghai Jiao Tong University (China)↗

Development of an Emulation-simulation Thermal Control Model for Space Station Application

Analysis techniques to evaluate the effects of changing thermal loads and the methods utilized to control temperature distributions in the orbital space station are essential. Analysis techniques including a user-friendly computer program, were developed which should prove useful in thermal design and system analysis of the the space station. The program uses a data base and user input to compute costs, sizes, and power requirements for individual components and complete systems. User input consists of selecting mission parameters, selecting thermal acquisition configurations, transport systems and distances, and thermal rejection configurations.

Colwell, G. T.↗

Utility of an emulation and simulation computer model for air revitalization system hardware design, development, and test

Efforts to make increasingly use of suitable computer programs in the design of hardware have the potential to reduce expenditures. In this context, NASA has evaluated the benefits provided by software tools through an application to the Environmental Control and Life Support (ECLS) system. The present paper is concerned with the benefits obtained by an employment of simulation tools in the case of the Air Revitalization System (ARS) of a Space Station life support system. Attention is given to the ARS functions and components, a computer program overview, a SAND (solid amine water desorbed) bed model description, a model validation, and details regarding the simulation benefits.

Yanosy, J. L.↗

Development of an emulation-simulation thermal control model for space station application

An improved capability for comparing various techniques for thermal management in the Space Station was developed. Current planning for the orbiting space station calls for a dual keel configuration. The thermal control system (TCS) for the space is composed of a central TCS and internal thermal control systems for the modules, as well as service facilities and attached payloads. The internal TCS may be attacted to the central TCS through a thermal bus. The central TCS is composed of a main transport system which collects waste thermal energy from each of the modules and transports it through coolant lines to the main rejection system. The waste heat loads in the modules arise from electrical and electronic equipment as well as metabolic loads in the manned modules. Several candidate technologies are being considered for acquiring the waste heat loads, for transporting the thermal energy between the acquisition and rejection systems, and for rejecting the waste heat to space. The analysis techniques described were developed for use in evaluating reliability, weights, costs, volumes, and power requirements for configurations using different candidates and different mission parameters.

Hartley, James G.↗

Development of an emulation-simulation thermal control model for space station application

The orbiting space station being developed by NASA will have many thermal sources and sinks as well as requirements for the transport of thermal energy through large distances. The station is also expected to evolve over twenty or more years from an initial design. As the station evolves, thermal management will become more difficult. Thus, analysis techniques to evaluate the effects of changing various thermal loads and the methods utilized to control temperature distributions in the station are essential. Analysis techniques, including a user-friendly computer program, were developed which should prove useful to thermal designers and system analysts working on the space station. The program uses a data base and user input to compute costs, sizes, and power requirements for individual components and complete systems. User input consists of selecting mission parameters, selecting thermal acquisition configurations, transport systems and distances, and thermal rejection configurations. The capabilities of the program may be expanded by including additional thermal models as subroutines.

Hartley, James G.↗

Development of an emulation-simulation thermal control model for space station application

Many features were added to the Thermal Control System (TCS) program to increase its user-friendliness. Several apparent inconsistencies were identified. In some instances, these have led to modifications to the source programs. With the summary line-sizing information, the user can more readily compare the TCS program results with other available data. Two mathematical models were completed: one deals with sizing and analysis of bus heat exchangers and the other provides a means of analyzing a variety of heat pipe radiator designs. A generic heat pipe model was added to the TCS Analysis Program.

Colwell, Gene T.↗

Designing accurate emulators for scientific processes using calibration-driven deep models

Abstract Predictive models that accurately emulate complex scientific processes can achieve speed-ups over numerical simulators or experiments and at the same time provide surrogates for improving the subsequent analysis. Consequently, there is a recent surge in utilizing modern machine learning methods to build data-driven emulators. In this work, we study an often overlooked, yet important, problem of choosing loss functions while designing such emulators. Popular choices such as the mean squared error or the mean absolute error are based on a symmetric noise assumption and can be unsuitable for heterogeneous data or asymmetric noise distributions. We propose Learn-by-Calibrating, a novel deep learning approach based on interval calibration for designing emulators that can effectively recover the inherent noise structure without any explicit priors. Using a large suite of use-cases, we demonstrate the efficacy of our approach in providing high-quality emulators, when compared to widely-adopted loss function choices, even in small-data regimes.

97 MATHEMATICS AND COMPUTING↗

Probabilistic Power Flow Based on a Gaussian Process Emulator

In this letter, a novel Gaussian process emulator is proposed, for the first time, to conduct the probabilistic power-flow calculation. Based on Bayesian inference, a Gaussian process emulator is trained and served as a nonparametric, reduced-order model of the nonlinear power-flow model. This emulator has allowed us to evaluate the time-consuming power-flow solver at the sampled values with a negligible computational cost. The simulations reveal the excellent performance of this method.

42 ENGINEERING↗

STITCHES: creating new scenarios of climate model output by stitching together pieces of existing simulations

Abstract. Climate model output emulation has long been attempted to support impact research, mainly to fill in gaps in the scenario space. Given the computational cost of running coupled earth system models (ESMs), which are usually the domain of supercomputers and require on the order of days to weeks to complete a century-long simulation, only a handful of different scenarios are usually chosen to externally force ESM simulations. An effective emulator, able to run on standard computers in times of the order of minutes rather than days could therefore be used to derive climate information under scenarios that were not run by ESMs. Lately, the necessity of accounting for internal variability has also made the availability of initial-condition ensembles, under a specific scenario, important, further increasing the computational demand. At least so far, emulators have been limited to simplified ESM-like output, either seasonal, annual, or decadal averages of basic quantities, like temperature and precipitation, often emulated independently of one another. With this work, we propose a more comprehensive solution to ESM output emulation. Our emulator, STITCHES, uses existing archives of earth system models' (ESMs) scenario experiments to construct ESM-like output under new scenarios or enrich existing initial-condition ensembles, which is what other emulators also aim to do. Importantly, however, STITCHES' output has the same characteristics of the ESM output it sets out to emulate: multivariate, spatially resolved, and high frequency, representing both the forced component and the internal variability around it. STITCHES extends the idea of time sampling – according to which climate outcomes are stratified by the global warming level at which they manifest themselves, irrespective of the scenario and time at which they occur – to the construction of a continuous history of ESM-like output over the whole 21st century, consistent with a 21st-century trajectory of global surface air temperature (GSAT) derived from the scenario that has been chosen as the target of the emulation. STITCHES does so by first splitting the target GSAT trajectory into decade-long windows, then matching each window in turn to a decade-long window within an existing model simulation from the available scenario runs according to its proximity to the target in absolute size of the temperature anomaly and its rate of change. A look-up table is therefore created of a sequence of existing experiment–time-window combinations that, when stitched together, create a GSAT trajectory “similar” to the target. Importantly, we can then stitch together much more than GSAT from these windows, i.e., any output that the ESM has saved for these existing experiment–time-window combinations, at any frequency and spatial scale available in its archive. We show that the stitching does not introduce artifacts in the great majority of cases (we look at temperature and precipitation at monthly frequency and on the native grid of the ESM and at an index of ENSO activity, the Southern Oscillation Index). This is true even if the criteria for the identification of the decades to be stitched together are chosen to work for a smoothed time series of annual GSAT, a result we expect given the larger amount of noise affecting most other variables at finer spatial scales and higher frequencies, which therefore are more “forgiving” of the stitching. We successfully test the method's performance over many ESMs and scenarios. Only a few exceptions surface, but these less-than-optimal outcomes are always associated with a scarcity of the archived simulations from which we can gather the decade-long windows that form the building blocks of the emulated time series. In the great majority of cases, STITCHES' performance is satisfactory according to metrics that reward consistency in trends, interannual and inter-ensemble variance, and autocorrelation structure of the time series stitched together. The method therefore can be used to create ESM-like output according to new scenarios, on the basis of a trajectory of GSAT produced according to that scenario, which could be easily obtained by a simple climate model. It can also be used to increase the size of existing initial-condition ensembles. There are aspects of our emulator that will immediately disqualify it for specific applications, like when climate information is needed whose characteristics result from accumulated quantities over windows of times longer than those used as pieces by STITCHES, droughts longer than a decade for example. But for many applications, we argue that a stitched product can satisfy the climate information needs of impact researchers. STITCHES cannot emulate ESM output from scenarios that result in GSAT trajectories outside of the envelope available in the archive, nor can it emulate trajectories with shapes different from existing ones (overshoots with negative derivative, for example). Therefore, the size and characteristics of the available archives of ESM output are the principal limitations for STITCHES' deployment. Thus, we argue for the possibility of designing scenario experiments within, for example, the next phase of the Coupled Model Intercomparison Project according to new principles, relieved of the need to produce a number of similar trajectories that vary only in radiative forcing strength but more strategically covering the space of temperature anomalies and rates of change.

54 ENVIRONMENTAL SCIENCES↗

Deep Learning Emulation of Subgrid-Scale Processes in Turbulent Shear Flows

Deep neural networks (DNNs) are developed from a data set obtained from the dynamic Smagorinsky model to emulate the subgrid-scale (SGS) viscosity (ν sgs ) and diffusivity (κ sgs ) for turbulent stratified shear flows encountered in the oceans and the atmosphere. These DNNs predict ν sgs and κ sgs from velocities, strain rates, and density gradients such that the evolution of the kinetic energy budget and density variance budget terms is similar to the corresponding values obtained from the original dynamic Smagorinsky model. These DNNs also compute ν sgs and κ sgs ~2–4 times quicker than the dynamic Smagorinsky model resulting in a ~2–2.5 times acceleration of the entire simulation. This study demonstrates the feasibility of deep learning in emulating the subgrid-scale (SGS) phenomenon in geophysical flows accurately in a cost-effective manner. In a broader perspective, deep learning-based surrogate models can present a promising alternative to the traditional parameterizations of the subgrid-scale processes in climate models.

58 GEOSCIENCES↗

Control Network Emulation Platform Software Package Description

The software package developed by Sandia National Laboratories is intended to allow the integration of Simulink models into emulations of control networks. To accomplish this, three programs are included: Simulink S-Function, Data Broker, and End Point

97 MATHEMATICS AND COMPUTING↗

Probabilistic projections of the Amery Ice Shelf catchment, Antarctica, under conditions of high ice-shelf basal melt

Abstract. Antarctica's Lambert Glacier drains about one-sixth of the ice from the East Antarctic Ice Sheet and is considered stable due to the strong buttressing provided by the Amery Ice Shelf. While previous projections of the sea-level contribution from this sector of the ice sheet have predicted significant mass loss only with near-complete removal of the ice shelf, the ocean warming necessary for this was deemed unlikely. Recent climate projections through 2300 indicate that sufficient ocean warming is a distinct possibility after 2100. This work explores the impact of parametric uncertainty on projections of the response of the Lambert–Amery system (hereafter “the Amery sector”) to abrupt ocean warming through Bayesian calibration of a perturbed-parameter ice-sheet model ensemble. We address the computational cost of uncertainty quantification for ice-sheet model projections via statistical emulation, which employs surrogate models for fast and inexpensive parameter space exploration while retaining critical features of the high-fidelity simulations. To this end, we build Gaussian process (GP) emulators from simulations of the Amery sector at a medium resolution (4–20 km mesh) using the Model for Prediction Across Scales (MPAS)-Albany Land Ice (MALI) model. We consider six input parameters that control basal friction, ice stiffness, calving, and ice-shelf basal melting. From these, we generate 200 perturbed input parameter initializations using space filling Sobol sampling. For our end-to-end probabilistic modeling workflow, we first train emulators on the simulation ensemble and then calibrate the input parameters using observations of the mass balance, grounding line movement, and calving front movement with priors assigned via expert knowledge. Next, we use MALI to project a subset of simulations to 2300 using ocean and atmosphere forcings from a climate model for both low- and high-greenhouse-gas-emission scenarios. From these simulation outputs, we build multivariate emulators by combining GP regression with principal component dimension reduction to emulate multivariate sea-level contribution time series data from the MALI simulations. We then use these emulators to propagate uncertainty from model input parameters to predictions of glacier mass loss through 2300, demonstrating that the calibrated posterior distributions have both greater mass loss and reduced variance compared to the uncalibrated prior distributions. Parametric uncertainty is large enough through about 2130 that the two projections under different emission scenarios are indistinguishable from one another. However, after rapid ocean warming in the first half of the 22nd century, the projections become statistically distinct within decades. Overall, this study demonstrates an efficient Bayesian calibration and uncertainty propagation workflow for ice-sheet model projections and identifies the potential for large sea-level rise contributions from the Amery sector of the Antarctic Ice Sheet after 2100 under high-greenhouse-gas-emission scenarios.

54 ENVIRONMENTAL SCIENCES↗

Greedy emulators for nuclear two-body scattering

Applications of reduced basis method emulators are increasing in low-energy nuclear physics because they enable fast and accurate sampling of high-fidelity calculations, enabling robust uncertainty quantification. Here, in this paper, we develop, implement, and test two model-driven emulators based on the (Petrov-)Galerkin projection using the prototypical test case of two-body scattering with the Minnesota potential and a more realistic local chiral potential. The high-fidelity scattering equations are solved with the matrix Numerov method, a reformulation of the popular Numerov recurrence relation for solving special second-order differential equations as a linear system of coupled equations. A novel error estimator based on reduced-space residuals is applied to an active learning approach (a greedy algorithm) to choosing training samples (“snapshots”) for the emulator and contrasted with a proper orthogonal decomposition (POD) approach. Both approaches allow for computationally efficient offline-online decompositions, but the greedy approach requires many fewer snapshot calculations. These developments set the groundwork for emulating scattering observables based on chiral nucleon-nucleon and three-nucleon interactions and optical models, where computational speed-ups are necessary for Bayesian uncertainty quantification. Our emulators and error estimators are widely applicable to linear systems.

Bayesian methods↗