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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A ModEx Framework for Watershed Subsurface Investigation With Limited Geophysical Data Using Machine Learning and Hydrologic Modeling

Abstract Subsurface heterogeneity influences watershed hydrology strongly but remains difficult to characterize at catchment scales with sparse and costly field data. Geophysical surveys such as electromagnetic induction (EMI) provide local spatial subsurface images yet scaling them to watershed scales and converting EMI‐derived resistivity into hydraulic properties remains a challenge. We present a Model–Experiment (ModEx) framework that integrates limited EMI data with machine learning (ML) and hydrologic modeling to improve process representation and guide field investigations. Sparse EMI surveys were scaled to the catchment scale using a Random Forest model, and the resulting resistivity fields were combined with nearby borehole constraints to parameterize a hydrologic model. The EMI‐informed hydrological simulations improved predictions of streamflow sustained by subsurface flow and shallow saturation patterns. By combining EMI data and ML with hydrologic modeling, the ModEx framework guides future subsurface surveys, providing a transferable and efficient strategy for data–model integration across diverse watersheds. Plain Language Summary Mapping the underground network of soil and rock that controls water is essential for predicting floods and droughts, but seeing underground is difficult and expensive. We cannot drill everywhere, so scientists use geophysical tools to scan broad areas. There are two key challenges: these geophysical scans are often sparse across the whole watershed, and the geophysical data is hard to translate into water‐related properties. We used artificial intelligence to solve these problems. We taught a computer to find patterns linking the limited geophysical data to the land surface properties. This allowed it to fill in the gaps and create a complete, useful subsurface map for the entire watershed. This new map improves hydrologic simulations, leading to more accurate predictions of water movement in the watershed. It also helps scientists build better models with less data and generates a priority map showing where to measure next, making future investigations more efficient. Key Points Limited EMI scaled with ML improves catchment‐scale subsurface parameterization for hydrologic models The framework integrates hydrologic modeling with limited geophysical data to support subsurface investigation design ModEx framework offers a transferable data–model integration strategy that quantifies and reduces uncertainty guiding watershed studies

Chen, Hang↗
DOE OSTI2026

Machine Learning Eliminates Reanalysis Warm Bias and Reveals Weaker Winter Surface Cooling Over Arctic Sea Ice

The surface energy budget governs Arctic sea-ice growth/melt, yet observations are sparse, and reanalysis data sets suffer from systematic biases. Here, we train a neural network with observational data to bias-correct hourly ERA5 fluxes over Arctic ice-covered regions (≥70°N; sea-ice concentration >80%) for 1994–2024. Training data cover two full seasonal cycles and different sea-ice regimes. The neural network reduces RMSE for net shortwave radiation by ∼40%, downward longwave radiation by ∼16% and the total surface energy budget by ∼55%, eliminating the wintertime warm bias of ∼4 K in ERA5. Wintertime surface cooling is reduced by ∼50%, yielding thermodynamic ice-growth estimates of ∼80–120 cm, consistent with SMOS–CryoSat satellite thickness increases and in contrast to the 150–200 cm growth implied by ERA5. Our bias-corrected data capture the observed clear/cloudy states of the winter boundary layer and can be used to study Arctic climatology, evaluate climate models and drive sea-ice-ocean models.

Hossain, Akil [Alfred Wegener Institute for Polar ↗
DOE OSTI2025

Bayesian Gaussian process inference for neutron spin echo measurement

Neutron spin echo (NSE) spectroscopy provides unique access to microscopic dynamics, but its application is often constrained by low neutron flux, long acquisition times, and significant noise. Here, we present a Bayesian inference approach based on Gaussian process regression (GPR) to reconstruct high-quality spin echo signals from sparse and noisy data by exploiting correlations in reciprocal space. Benchmarks on synthetic datasets and validation with experimental NSE measurements of dendrimers show that GPR suppresses noise, interpolates missing intensity values, and accommodates irregular observations. The method improves accuracy, shortens acquisition times, and enables high-throughput and real-time studies. Beyond NSE, the framework is broadly applicable to other low signal-to-noise ratio scattering techniques, thereby extending the scope of neutron spectroscopy.

Tung, Chi-Huan [Oak Ridge National Laboratory (ORN↗
DOE OSTI2025

Measurement of the mean excitation energy of liquid argon

The mean excitation energy (I-value) of liquid argon is a critical input for energy estimation in neutrino oscillation experiments. It is measured to be 199 +4 -5 eV using the range of 402.2 MeV protons from the Fermilab Linac. This compares to the author's recent evaluation of (197 ± 7) eV based on a combination of an oscillator strength distribution analysis, gaseous argon range measurements, sparse stopping power data on solid argon, and an extrapolation of data on the effect of phase from other substances. Using all sources of information, we recommend a value of (198 ± 4) eV for liquid argon, which is significantly higher than 188 eV, from ICRU-37's gaseous argon evaluation, commonly used in Monte Carlo codes such as Geant4.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Evaluation of Hypotheses for the Fate of Historical Discharges from Hanford Site BC Cribs and Trenches

A preliminary review of declassified reports and historical documents from the 1950s and 1960s indicated they may contain valuable information regarding potential impacts to groundwater from liquid waste discharged to the 216-BC Cribs and Trenches during the late 1950s. Transport of contaminants in the vadose zone beneath the BC Cribs area is simulated by a vadose zone model developed for the Composite Analysis (DOE/RL-2019-52, Composite Analysis for Low-Level Waste Disposal in the Hanford Site Central Plateau ). Results from this model indicate there has been no substantial breakthrough of contaminants (particularly technetium-99) to groundwater from the vadose zone up to the present day. However, there is uncertainty in the anisotropy and other model input parameters as well as acknowledged sparseness of sampling data for this area. In this study, historical documents and other information were reviewed to evaluate the possibility that contaminant breakthrough to groundwater occurred during or shortly after operation of the BC Cribs sites, and whether refinements of the vadose zone model parametrization should be considered.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Generating synthetic signaling networks for in silico modeling studies

Predictive models of signaling pathways have proven to be difficult to develop. Reasons include the uncertainty in the number of species, the complexity in species’ interactions, and the sparseness and uncertainty in experimental data. Traditional approaches to developing mechanistic models rely on collecting experimental data and fitting a single model to that data. This approach works for simple systems but has proven unreliable for complex systems such as biological signaling networks. For example, uncertainty and sparseness of the data often result in overfitted models that have little predictive value beyond recapitulating the experimental data itself. Thus, there is a need to develop new approaches to create predictive mechanistic models of complex systems. However, to determine the effectiveness of any new algorithm, a baseline model is needed to test its performance. To meet this need, we developed a method for generating artificial synthetic networks that are reasonably realistic and thus can be treated as ground truth models. These synthetic models can then be used to generate synthetic data for developing and testing algorithms designed to recover the underlying network topology and associated parameters. Here, we describe a simple approach for generating synthetic signaling networks that can be used for this purpose.

42 ENGINEERING↗
DOE OSTI2024

Computing Sparse Tensor Decompositions via Chapel and C++/MPI Interoperability without Intermediate I/O

We extend an existing approach for efficient use of shared mapped memory across Chapel and C++ for graph data stored as 1-D arrays to sparse tensor data stored using a combination of 2-D and 1-D arrays. We describe the specific extensions that provide use of shared mapped memory tensor data for a particular C++ tensor decomposition tool called GentenMPI. We then demonstrate our approach on several real-world datasets, providing timing results that illustrate minimal overhead incurred using this approach. Finally, we extend our work to improve memory usage and provide convenient random access to sparse shared mapped memory tensor elements in Chapel, while still being capable of leveraging high performance implementations of tensor algorithms in C++.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Entropy Stable Conservative Flux Form Neural Networks

We propose an entropy-stable conservative flux form neural network (CFN) to predict the dynamics of unknown governing conservation laws. The design of the network is based on the entropy-stable, second-order, and non-oscillatory Kurganov-Tadmor (KT) scheme. The proposed entropy-stable CFN, hereafter referred to as ESCFN, uses slope limiting as a denoising mechanism, ensuring accurate predictions in both noisy and sparse observation environments, as well as in both smooth and discontinuous regions. Importantly, our method is designed to predict long term dynamics of the unknown conservation law exclusively from a short temporal window of observed data, that is, without oracle knowledge of the PDE or later-time solution profiles. Numerical experiments demonstrate that the ESCFN achieves both stability and conservation while maintaining accuracy over extended time domains, and successfully predicts shock propagation speeds in long-term simulations. Furthermore, it is also robust to both noisy and sparse data environments.

Hyperbolic conservation laws↗
DOE OSTI2025

High-throughput spin-bath characterization of spin defects in semiconductors

Detailed knowledge of the local environments of spin defects in semiconductors, such as nitrogenvacancy (NV) centers in diamond or divacancies in silicon carbide, is crucial for optimizing control and entanglement protocols in quantum sensing and information applications. However, at present a direct experimental characterization of individual defect environments is not scalable, as conventional spin-bath measurements are time consuming and difficult to automate. Achieving high-throughput characterization requires short experiments to probe the spin bath. However, with fewer and noisier measurements, the inverse problem of recovering spin-bath properties from measured data becomes ill posed, with multiple spin baths having a high likelihood of yielding the same data. In this work, we present a set of computational tools to resolve the ill-posed inverse problem of recovering the atomic positions and hyperfine couplings of random nuclei surrounding spin defects from sparse, noisy experimental coherence data, which can be obtained in hours. Here, we use a trans-dimensional Bayesian approach that incorporates ab initio data to yield full posterior distributions over nuclear spin environments, enabling robust recovery from limited data. We also provide practical tools and guidelines to determine the limits of detectability for hyperfine couplings under specific dynamical decoupling sequences and sampling conditions. In addition, we demonstrate how the tools developed here, in combination with ab initio simulations of spin baths, can guide the design of efficient experimental protocols for application-specific high-throughput screening. To showcase the utility of our approach, we apply it to design fast dynamical decoupling experiments to characterize the spin baths often individual NV centers in diamond. While the primary focus is on accelerating spin-bath characterization of spin defects, this Bayesian approach also lays the foundation for digital-twin studies of spin defects, where a virtual model of the spin-defect system evolves in real time with ongoing experimental measurements. Together, the set of tools we designed and applied paves the way for scalable deployment of spin defects in semiconductors for quantum sensing and information applications.

Bayesian methods↗
DOE OSTI2024

G2Aero Database of Airfoils - Curated Airfoils

This dataset contains a curated set of 19,164 airfoil shapes from various applications and the data-driven design space of separable shape tensors (PGA space), which can be used as a parameter space for machine-learning applications focused on airfoil shapes. We constructed the airfoil dataset in two main stages. First, we identified 13 baseline airfoils from the NREL 5MW and IEA 15MW reference wind turbines. We reparameterized these shapes using least-squares fits of 8-order CST parametrizations, which involve 18 coefficients. By uniformly perturbing all 18 CST coefficients by +/-20% around each baseline airfoil, we generated 1,000 unique airfoils. Each airfoil was sampled with 1,001 shape landmarks whose x-coordinates followed a cosine distribution along the chord. This process resulted in a total of 13,000 airfoil shapes, each with 1,001 landmarks. In the second phase, we gathered additional airfoils from the extensive BigFoil database, which consolidates data from sources such as the University of Illinois Urbana-Champaign (UIUC) airfoil database, the JavaFoil database, the NACA-TR-824 database, and others. We undertook a thorough pre-processing step to filter out shapes with sparse, noisy, or incomplete data. We also removed airfoils with sharp leading edge and those exceeding our threshold for trailing edge thickness. Additionally, we thinned out the collection of NACA airfoils-- parametric sweeps of NACA airfoils with increasing thickness and camber present in BigFoil database-- by selecting every fourth step in the parameter sweeps. Finally, we regularized the airfoils by reparametrizing them with an 8-order CST parametrization (with 1,001 shape landmarks with x coordinated following cosine distribution along the chord) and removing airfoils with high reconstruction errors. This data pre-processing resulted in a set of 6,164 airfoils. In total, our curated airfoil dataset comprises 19,164 airfoils, each with 1,001 landmarks, and is stored in the curated_airfoils.npz file. Using this curated airfoil dataset, we utilized the separable shape tensors framework to develop a data-driven parameterization of airfoils based on principal geodesic analysis (PGA) of separable shape tensors. This PGA space is provided in PGAspace.npz file.

airfoils↗
DOE OSTI2025

Bayesian learning with Gaussian processes for low-dimensional representations of time-dependent nonlinear systems

This work presents a data-driven method for learning low-dimensional time-dependent physics-based surrogate models whose predictions are endowed with uncertainty estimates. We use the operator inference approach to model reduction that poses the problem of learning low-dimensional model terms as a regression of state space data and corresponding time derivatives by minimizing the residual of reduced system equations. Standard operator inference models perform well with accurate training data that are dense in time, but producing stable and accurate models when the state data are noisy and/or sparse in time remains a challenge. Another challenge is the lack of uncertainty estimation for the predictions from the operator inference models. Our approach addresses these challenges by incorporating Gaussian process surrogates into the operator inference framework to (1) probabilistically describe uncertainties in the state predictions and (2) procure analytical time derivative estimates with quantified uncertainties. The formulation leads to a generalized least-squares regression and, ultimately, reduced-order models that are described probabilistically with a closed-form expression for the posterior distribution of the operators. The resulting probabilistic surrogate model propagates uncertainties from the observed state data to reduced-order predictions. Furthermore, we demonstrate the method is effective for constructing low-dimensional models of two nonlinear partial differential equations representing a compressible flow and a nonlinear diffusion–reaction process, as well as for estimating the parameters of a low-dimensional system of nonlinear ordinary differential equations representing compartmental models in epidemiology.

Data-driven model reduction↗
DOE OSTI2025

Predicting High‐Resolution Spatial and Spectral Features in Mass Spectrometry Imaging with Machine Learning and Multimodal Data Fusion

Recent advancements in molecular Mass Spectrometry Imaging have sparked interest in integrating high spatial resolution methods with molecular mass-spectrometry-based chemical imaging. Fusion-based algorithms have proven effective in generating high spatial-resolution molecular mass spectra. However, a significant challenge stems from the differing physical mechanisms underlying image generation and data upsampling techniques, potentially leading to discrepancies in integrated information channels. Integrating physical constraints into data processing workflows is essential to tackle this issue. In this study, we propose an innovative approach that merges data from Fourier transform ion cyclotron resonance (FTICR), time-of-flight matrix-assisted laser desorption/ionization, and time-of-flight secondary ion mass spectrometry imaging techniques. By leveraging FT-ICR's unparalleled spectral resolution and ToF-SIMS's exceptional spatial resolution, we achieve submicron spatial resolution, enabling the observation of intact molecular species with remarkable spectral precision. Canonical correlation analysis is employed to incorporate physical constraints. Through sophisticated image processing and machine learning techniques, the results of this fusion hold significant promise for advancing our comprehension of complex systems and unveiling concealed molecular intricacies.

canonical correlation analysis↗
DOE OSTI2024

Increasing phosphorus loss despite widespread concentration decline in US rivers

The loss of phosphorous (P) from the land to aquatic systems has polluted waters and threatened food production worldwide. Systematic trend analysis of P, a nonrenewable resource, has been challenging, primarily due to sparse and inconsistent historical data. Here, we leveraged intensive hydrometeorological data and the recent renaissance of deep learning approaches to fill data gaps and reconstruct temporal trends. We trained a multitask long short-term memory model for total P (TP) using data from 430 rivers across the contiguous United States (CONUS). Trend analysis of reconstructed daily records (1980–2019) shows widespread decline in concentrations, with declining, increasing, and insignificantly changing trends in 60%, 28%, and 12% of the rivers, respectively. Concentrations in urban rivers have declined the most despite rising urban population in the past decades; concentrations in agricultural rivers however have mostly increased, suggesting not-as-effective controls of nonpoint sources in agriculture lands compared to point sources in cities. TP loss, calculated as fluxes by multiplying concentration and discharge, however exhibited an overall increasing rate of 6.5% per decade at the CONUS scale over the past 40 y, largely due to increasing river discharge. Results highlight the challenge of reducing TP loss that is complicated by changing river discharge in a warming climate.

Science & Technology - Other Topics↗
DOE OSTI2025

Influence of initial conditions on data-driven model identification and information entropy for ideal mhd problems

Data-driven methods of model identification are able to discern governing dynamics of a system from data. Such methods are well suited to help us learn about systems with unpredictable evolution or systems with ambiguous governing dynamics given our current understanding. Many plasma problems of interest fall into these categories as there are a wide range of models that exist, however each model is only useful in a certain regime and often limited by computational complexity. To ensure data-driven methods align with theory, they must be consistent and predictable when acting on data whose governing dynamics are known. Weak Sparse Identification of Nonlinear Dynamics (WSINDy) is a recently developed data-driven method that has shown promise in learning governing dynamics from data with high noise levels [1]. This work examines how WSINDy acts on ideal MHD test problems as the initial conditions are varied and specifies limiting requirements for successful equation identification. Furthermore, it is hard to recover the governing dynamics from data that emphasize a single dominant behavior. In these low information cases, Shannon information entropy is able to pick up on the redundancies in the data that affect recoverability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

$\overline{TKE}$ Parameterization and $\bar{v}$ Uncertainty Analysis for CGMF

Previous work was performed on tuning CGMF parameters for 235 U, 238 U, and Plutonium isotopes. Now work is being done to tune minor uranium isotopes. However, uranium isotopes like 232 U and 236 U have almost no experimental data. We are applying cross-isotope models to extrapolate and tune CGMF on isotopes that lack experimental data. There exist several internal CGMF physics quantities that affect the output of CGMF—multi-chance fission probability, excitation energy sharing, spin-cutoff factor, spin scaling, and fragment total kinetic energy to name a few. The mean fragment total kinetic energy, $\overline{TKE}$, is particularly interesting because of its strong anti-correlation with $\bar{v}$. We are most interested in the mean fragment total kinetic energy before neutron emissions. $\overline{TKE}$ is assumed to be pre-neutron emission unless otherwise stated. Currently in CGMF, the $\overline{TKE}$ model for 233,234,235,238 U are tuned independently to reproduce ν for the associated isotopes. In this report, we will tune a cross-isotope $\overline{TKE}$ model to experimental $\overline{TKE}$ data for 232,233,234,235,236,238 U. Because of the unreliable and sparse nature of $\overline{TKE}$ experimental data, future work will use more reliable experimental $\bar{v}$ data to infer the $\overline{TKE}$ model (and likely other internal CGMF parameters) for uranium isotopes. Such work has been performed previously using a sensitivity analysis and Kalman filter methods.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

A First Search for Argon-Bound Neutron-Antineutron Oscillation using the MicroBooNE LArTPC

The use of Liquid Argon Time Projection Chambers (LArTPCs) as a detector technology in neutrino experiments has grown considerably over the past two decades. The excellent spatial and calorimetric resolution offered by LArTPCs enable precise neutrino oscillation measurements as well as beyond-Standard Model searches. One such search, which is the focus of this note, is the search for nucleus-bound neutron-antineutron (n ₋ n̄) oscillation. The n ₋ n̄ oscillation process is a baryon number violating process that produces a unique, star-like topology as a result of multiple final state pions. This unique signature is a key feature that may be used to search for this signal process. This note describes a machine learning-based analysis of MicroBooNE data, making use of a sparse convolutional neural network to search for n ₋ n̄ oscillation-like signals in MicroBooNE. While the future DUNE LArTPC can search for this signature with high sensitivity, existing MicroBooNE data can be used to demonstrate and validate methodologies that can be used as part of the DUNE search. This document presents the first-ever search for n ₋ n̄ oscillation in a LArTPC, using MicroBooNE off-beam data (data collected when the neutrino beam was not running).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗