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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 181 records · Page 10

Intelligent Sampling of Extreme-Scale Turbulence Datasets for Accurate and Efficient Spatiotemporal Model Training

With the end of Moore’s law and Dennard scaling, efficient training increasingly requires rethinking data volume. Can we train better models with significantly less data via intelligent subsampling? To explore this, we develop SICKLE, a sparse intelligent curation framework for efficient learning, featuring a novel maximum entropy (MaxEnt) sampling approach, scalable training, and energy benchmarking. We compare MaxEnt with random and phase-space sampling on large direct numerical simulation (DNS) datasets of turbulence. Evaluating SICKLE at scale on Frontier, we show that subsampling as a preprocessing step can, in many cases, improve model accuracy and substantially lower energy consumption, with observed reductions of up to 38×.

Brewer, Wes [ORNL] (ORCID:0000000236393956)↗

Experimental study of multiple-orientation muon tomography with image optimization in sparse data environments

Due to the high penetrating power of cosmic-ray muons, they can be used to probe very thick and dense objects. As muons are charged particles, they can be tracked by ionization detectors, determining the position and direction of the muons. With detectors on either side of an object to measure particle direction change, scattering information within the object can be found. This can be used to produce a scattering-intensity image within the object related to density and atomic number. Such imaging is typically performed with a single detector-object orientation, taking advantage of the more intense downward flux of muons, producing planar imaging with some depth-of-field information in the third dimension. Several simulation studies were published with multiorientation tomography, which can form a three-dimensional representation faster than a single-orientation view. In this study, experimental muon-scatter-based tomography was performed using a concrete filled steel drum with several different metal wedges inside, with the drum between detector planes. Data were collected from different detector-object orientations by rotating the steel drum. The data collected from each orientation were combined using two different tomographic methods. A traditional inverse Radon transform approach used for computed tomography and a combination of multiple depth-of-field reconstructions were applied to the data. As cosmic-ray muon flux imaging is rate limited, the imaging techniques were compared for sparse data. Using the combined depth-of-field reconstruction technique, fewer detector-object orientations were needed to reconstruct images that could be used to differentiate the metal wedges.

47 OTHER INSTRUMENTATION↗

Prediction of Aerodynamic Coefficients using Neural Networks for Sparse Data

Basic aerodynamic coefficients are modeled as functions of angles of attack and sideslip with vehicle lateral symmetry and compressibility effects. Most of the aerodynamic parameters can be well-fitted using polynomial functions. In this paper a fast, reliable way of predicting aerodynamic coefficients is produced using a neural network. The training data for the neural network is derived from wind tunnel test and numerical simulations. The coefficients of lift, drag, pitching moment are expressed as a function of alpha (angle of attack) and Mach number. The results produced from preliminary neural network analysis are very good.

Rajkumar, T.↗

Quantifying Dynamic Signal Spread in Real-Time High-Energy X-ray Diffraction

Abstract Measured intensity in high-energy monochromatic X-ray diffraction (HEXD) experiments provides information regarding the microstructure of the crystalline material under study. The location of intensity on an areal detector is determined by the lattice spacing and orientation of crystals so that changes in the heterogeneity of these quantities are reflected in the spreading of diffraction peaks over time. High temporal resolution of such dynamics can now be experimentally observed using technologies such as the mixed-mode pixel array detector (MM-PAD) which facilitates in situ dynamic HEXD experiments to study plasticity and its underlying mechanisms. In this paper, we define and demonstrate a feature computed directly from such diffraction time series data quantifying signal spread in a manner that is correlated with plastic deformation of the sample. A distinguishing characteristic of the analysis is the capability to describe the evolution from the distinct diffraction peaks of an undeformed alloy sample through to the non-uniform Debye–Scherrer rings developed upon significant plastic deformation. We build on our previous work modeling data using an overcomplete dictionary by treating temporal measurements jointly to improve signal spread recovery. We demonstrate our approach in simulations and on experimental HEXD measurements captured using the MM-PAD. Our method for characterizing the temporal evolution of signal spread is shown to provide an informative means of data analysis that adds to the capabilities of existing methods. Our work draws on ideas from convolutional sparse coding and requires solving a coupled convex optimization problem based on the alternating direction method of multipliers.

Engineering↗

Microwave Satellite Data for Hydrologic Modeling in Ungauged Basins

An innovative flood-prediction framework is developed using Tropical Rainfall Measuring Mission precipitation forcing and a proxy for river discharge from the Advanced Microwave Scanning Radiometer for Earth Observing System (AMSR-E) onboard the National Aeronautics and Space Administration's Aqua satellite. The AMSR-E-detected water surface signal was correlated with in situ measurements of streamflow in the Okavango Basin in Southern Africa as indicated by a Pearson correlation coefficient of 0.90. A distributed hydrologic model, with structural data sets derived from remote-sensing data, was calibrated to yield simulations matching the flood frequencies from the AMSR-E-detected water surface signal. Model performance during a validation period yielded a Nash-Sutcliffe efficiency of 0.84. We concluded that remote-sensing data from microwave sensors could be used to supplement stream gauges in large sparsely gauged or ungauged basins to calibrate hydrologic models. Given the global availability of all required data sets, this approach can be potentially expanded to improve flood monitoring and prediction in sparsely gauged basins throughout the world

Distributed hydrologic modeling↗

First experimental study of multiple orientation muon tomography, with image optimization in sparse data environments

Due to the high penetrating power of cosmic ray muons, they can be used to probe very thick and dense objects. As charged particles, they can be tracked by ionization detectors, determining the position and direction of the muons. With detectors on either side of an object, particle direction changes can be used to extract scattering information within an object. This can be used to produce a scattering intensity image within the object related to density and atomic number. Such imaging is typically performed with a single detector-object orientation, taking advantage of the more intense downward flux of muons, producing planar imaging with some depth-of-field information in the third dimension. Several simulation studies have been published with multi-orientation tomography, which can form a three-dimensional representation faster than a single orientation view. In this work we present the first experimental multiple orientation muon tomography study. Experimental muon-scatter based tomography was performed using a concrete filled steel drum with several different metal wedges inside, between detector planes. Data was collected from different detector-object orientations by rotating the steel drum. The data collected from each orientation were then combined using two different tomographic methods. Results showed that using a combination of multiple depth-of-field reconstructions, rather than a traditional inverse Radon transform approach used for CT, resulted in more useful images for sparser data. As cosmic ray muon flux imaging is rate limited, the imaging techniques were compared for sparse data. Using the combined depth-of-field reconstruction technique, fewer detector-object orientations were needed to reconstruct images that could be used to differentiate the metal wedge compositions.

Applied Physics (physics.app-ph)↗

Machine learning-assisted identification of potential sources of bias in measurements of prompt-fission neutron spectra

Unrecognized sources of uncertainty (USU) can bias the reported mean and/or covariance of experimental nuclear data. These biases, in turn, can propagate through evaluated nuclear data to application simulations or may poorly inform nuclear theory that is fitted to the experimental data. Such unknown sources of bias must be tied to the inherent physical constituents of the measurements such as the characteristics of a detector response or a background reduction technique. Here, in this article, a sparse Bayesian learning model is used to support experts in their efforts to identify and characterize USU in experimental prompt fission neutron spectra (PFNS) for spontaneous fissioning of 252 Cf by linking observed biases to features of the measurement system. Three different bias components were found. The first acts as a verification case for the algorithm as it identifies a bias coming from a well-known source related to the use of 6 Li in the neutron detection system. The second two cases demonstrate how this method can benefit the evaluation of experimental nuclear data by identifying, quantifying, and relating unknown biases to potential causes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Increasing freshwater and dissolved organic carbon flows to Northwest Alaska’s Elson lagoon

Manifestations of climate change in the Arctic are numerous and include hydrological cycle intensification and permafrost thaw, both expected as a result of atmospheric and surface warming. Across the terrestrial Arctic dissolved organic carbon (DOC) entrained in arctic rivers may be providing a carbon subsidy to coastal food webs. Yet, data from field sampling is too often of limited duration to confidently ascertain impacts of climate change on freshwater and DOC flows to coastal waters. This study applies numerical modeling to investigate trends in freshwater and DOC exports from land to Elson Lagoon in Northwest Alaska over the period 1981-2020. While the modeling approach has limitations, the results point to significant increases in freshwater and DOC exports to the lagoon over the past four decades. The model simulation reveals significant increases in surface, subsurface (suprapermafrost), and total freshwater exports. Significant increases are also noted in surface and subsurface DOC production and export, influenced by warming soils and associated active-layer thickening. The largest changes in subsurface components are noted in September, which has experienced a ~50% increase in DOC export emanating from suprapermafrost flow. Direct coastal suprapermafrost freshwater and DOC exports in late summer more than doubled between the first and last five years of the simulation period, with a large anomaly in September 2019 representing a more than fourfold increase over September direct coastal export during the early 1980s. These trends highlight the need for dedicated measurement programs that will enable improved understanding of climate change impacts on coastal zone processes in this data sparse region of Northwest Alaska.

54 ENVIRONMENTAL SCIENCES↗

Discovering the Unknowns: A First Step

This article aims at discovering the unknown variables in the system through data analysis. The main idea is to use the time of data collection as a surrogate variable and try to identify the unknown variables by modeling gradual and sudden changes in the data. We use Gaussian process modeling and a sparse representation of the sudden changes to efficiently estimate the large number of parameters in the proposed statistical model. The method is tested on a realistic dataset generated using a one-dimensional implementation of a Magnetized Liner Inertial Fusion (MagLIF) simulation model, and encouraging results are obtained.

42 ENGINEERING↗

Generic, Sparse Tensor Core for Neural Networks

Sparse neural network attracts more attention for model compression, fast execution, and power reduction. The state-of-the-art designed sparse tensor core for structured and static sparsity, which did not support well for generic or dynamic sparsity. We design a sparse tensor core to support generic sparsity pruning with a novel hybrid and blocked sparse matrix storage format, HB-ELL, which saves computation and storage while keeping the most significant elements, as well as supporting dynamic sparsity for data flow in neural networks. We achieve better performance with preliminary results than the state-of- the-art on an NVIDIA GPU simulator.

Wu, Xiaolong↗

Uncertainty-aware molecular dynamics from Bayesian active learning for phase transformations and thermal transport in SiC

Abstract Machine learning interatomic force fields are promising for combining high computational efficiency and accuracy in modeling quantum interactions and simulating atomistic dynamics. Active learning methods have been recently developed to train force fields efficiently and automatically. Among them, Bayesian active learning utilizes principled uncertainty quantification to make data acquisition decisions. In this work, we present a general Bayesian active learning workflow, where the force field is constructed from a sparse Gaussian process regression model based on atomic cluster expansion descriptors. To circumvent the high computational cost of the sparse Gaussian process uncertainty calculation, we formulate a high-performance approximate mapping of the uncertainty and demonstrate a speedup of several orders of magnitude. We demonstrate the autonomous active learning workflow by training a Bayesian force field model for silicon carbide (SiC) polymorphs in only a few days of computer time and show that pressure-induced phase transformations are accurately captured. The resulting model exhibits close agreement with both ab initio calculations and experimental measurements, and outperforms existing empirical models on vibrational and thermal properties. The active learning workflow readily generalizes to a wide range of material systems and accelerates their computational understanding.

36 MATERIALS SCIENCE↗

Data-Driven Method for Groundwater-Level Mapping and Monitoring-Well Network Optimization at Hanford

This report summarizes the initial results and outcomes of a physics-informed, data-driven groundwater level (GWL) mapping capability for the Hanford Site. GWL mapping at Hanford is typically conducted annually and requires a significant amount of computational and expert resources, and it does not allow assessment of the informational value of specific monitoring wells. The proposed method produces spatially and temporally resolved fields consistent with sparse, irregularly sampled, and nonuniformly distributed well measurements. Implemented successfully, this capability will allow rapid mapping of groundwater levels and provide an opportunity to optimize monitoring activities (both location and sampling frequency) based on data information value evaluation. The approach integrates a diffusion-based generative model – trained on MODFLOW simulation data from the Plateau-to-River (P2R) model – with score-based data assimilation (SDA), allowing observation-conditioned mapping without retraining for each monitoring-network layout.

54 ENVIRONMENTAL SCIENCES↗

Jet Stream Analysis and Forecast Errors Using GADS Aircraft Observations in the DAO, ECMWF, and NCEP Models

We have utilized an extensive set of independent British Airways flight data recording wind vector and temperature observations (the Global Aircraft Data Set [GADS] archive) in three ways: (a) as an independent check of operational analyses; (b) as an analysis observing system experiment (OSE) as if the GADS observations were available in real time; and (c) as the corresponding forecast simulation experiment applicable to future operational forecasts. Using a 31 day sample (0000 UTC 20 December 2000 through 0000 UTC 20 January 2000) from Winter 2000, we conclude that over the data-dense continental U. S. analyzed jet streaks are too weak by -2% to -5%. Over nearby data-sparse regions of Canada, analyzed jet streaks are too weak by -5% to -9%. The second range provides a limit on the accuracy of current jet streak analyses over the portions of the -85% of the earth's surface that are poorly covered by non-satellite observations. The -5% to -9% range is relevant for the pre-third generation satellite (AIRS, IASI, GIFTS) era.

Cardinali, Carla↗

Constraining the Size of Near Earth Asteroids

Quick and accurate determination of the size of an asteroid is of great interest to the Asteroid Threat Assessment Project and is difficult to accomplish. With a combination of visible and thermal measurements we employ a method that leverages the size estimations of each model as physical constraints on the true diameter. This method breaks degeneracies present in the thermal and visible model from sparse data. In the visible bands we use both the established H-G relationship and its successor the H-G1G2 model, which has improved capabilities in the opposition effect and large phase angles. For the thermal models we use the Near Earth Asteroid Thermal Model (NEATM), the Night Emission Simulated Thermal Model (NESTM), and the Advanced Thermophysical Model (ATPM).

Nelson, Tyler↗

SODAs: sparse optimization for the discovery of differential and algebraic equations

Differential-algebraic equations (DAEs) integrate ordinary differential equations (ODEs) with algebraic constraints, providing a fundamental framework for developing models of dynamical systems characterized by time-scale separation, conservation laws and physical constraints. While sparse optimization has revolutionized model development by allowing data-driven discovery of parsimonious models from a library of possible equations, existing approaches for dynamical systems assume DAEs can be reduced to ODEs by eliminating variables before model discovery. This assumption limits the applicability of such methods for DAE systems with unknown constraints and time scales. We introduce sparse optimization for differential-algebraic systems (SODAs), a data-driven method for the identification of DAEs in their explicit form. By discovering the algebraic and dynamic components sequentially without prior identification of the algebraic variables, this approach leads to a sequence of convex optimization problems. It has the advantage of discovering interpretable models that preserve the structure of the underlying physical system. To this end, SODAs improves since SODAs is singular numerical stability when handling high correlations between library terms, caused by near-perfect algebraic relationships, by iteratively refining the conditioning of the candidate library. We demonstrate the performance of our method on biological, mechanical and electrical systems, showcasing its robustness to noise in both simulated time series and real-time experimental data.

DAE↗

Requirements for facilities and measurement techniques to support CFD development for hypersonic aircraft

The design of a hypersonic aircraft poses unique challenges to the engineering community. Problems with duplicating flight conditions in ground based facilities have made performance predictions risky. Computational fluid dynamics (CFD) has been proposed as an additional means of providing design data. At the present time, CFD codes are being validated based on sparse experimental data and then used to predict performance at flight conditions with generally unknown levels of uncertainty. This paper will discuss the facility and measurement techniques that are required to support CFD development for the design of hypersonic aircraft. Illustrations are given of recent success in combining experimental and direct numerical simulation in CFD model development and validation for hypersonic perfect gas flows.

Sellers, William L., III↗

Data for A Hybrid Biophysical-Machine Learning Framework for Diurnal Surface Energy Flux Estimation Using Proximal Sensing

Thermal infrared-based remote sensing of surface energy fluxes has traditionally relied on high spatial resolution satellite data with revisit frequencies on the order of weeks. In this study, we evaluate a biophysics-based analytical surface energy balance model for predicting latent energy (LE) and sensible heat (H) fluxes using proximal sensing observations. The Surface Temperature Initiated Closure (STIC1.2) model has been extensively validated across a wide range of spatial and temporal scales using various satellite-derived thermal infrared data sets. Here we extend this validation by applying STIC at sub-hourly temporal resolution over multiple growing seasons for four distinct agricultural systems. We further develop and evaluate novel STIC variants that incorporate machine learning (ML) techniques to eliminate the need for surface energy balance observations, specifically net radiation and soil heat flux, thereby enhancing model applicability in data-sparse settings. The integration of a ML component to estimate surface available energy is shown to have strong predictive performance for both LE (R2 = 0.81–0.94) and H (R2 = 0.46–0.72) across all agricultural systems examined here, demonstrating the potential of hybrid biophysical-machine learning approaches for surface energy balance modeling with minimal data requirements. This study concludes with a novel application of explainable machine learning (exML) to diagnose sources of model error. This exML framework attributes residual prediction errors to both model input variables and environmental drivers not explicitly included in the simulation experiments. This approach provides a new pathway for improving model design and integrating previously overlooked yet influential variables into future model iterations.

AI/ML↗

Integrating Analytical Solutions and U-Net Model for Predicting Groundwater Contaminant Plumes in Pump-and-Treat Systems

Pump-and-treat (P&T) is a common technique for groundwater remediation involving the extraction and treatment of contaminated water above ground. Optimizing the design and operation of the P&T well network is essential for maximizing the system’s effectiveness and efficiency. However, this optimization often necessitates many model evaluations, leading to computationally demanding tasks. This study introduces a novel approach that integrates analytical solutions for groundwater dynamics with the U-Net (Ronneberger et al., 2015) deep learning framework to predict groundwater contaminant plume migration under dynamic pumping conditions. By incorporating the Thiem equation (Thiem, 1906) into the input preprocessing, the U-Net model transforms sparse well data into a continuous spatial field that captures the hydraulic impacts of pumping activities. This integration enables the model to leverage both deep learning capabilities and classical physics-based groundwater theories, enhancing prediction accuracy and computational efficiency. These advancements can facilitate rapid, large-scale evaluations of P&T optimization simulations, allowing for timely and effective decision-making in well placement and system management. We demonstrate the model's robust performance across both simplified transient 2D models and a more complex 3D heterogeneous site model at the 200 West P&T facility at the Hanford Site. The U-Net-based model offers substantial computational advantages, reducing simulation times significantly compared to full physics-based models and providing a powerful tool for rapid site evaluation and P&T system optimization, such as evaluating alternative P&T well network designs. Our findings highlight the potential of advanced machine learning models to significantly enhance the efficiency and sustainability of groundwater remediation efforts, offering a novel application of U-Net architecture in environmental science.

Pump-and-treat↗