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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 325 records · Page 18
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DOE OSTI2023

Data Augmentation for Neutron Spectrum Unfolding with Neural Networks

Neural networks require a large quantity of training spectra and detector responses in order to learn to solve the inverse problem of neutron spectrum unfolding. In addition, due to the under-determined nature of unfolding, non-physical spectra which would not be encountered in usage should not be included in the training set. While physically realistic training spectra are commonly determined experimentally or generated through Monte Carlo simulation, this can become prohibitively expensive when considering the quantity of spectra needed to effectively train an unfolding network. In this paper, we present three algorithms for the generation of large quantities of realistic and physically motivated neutron energy spectra. Using an IAEA compendium of 251 spectra, we compare the unfolding performance of neural networks trained on spectra from these algorithms, when unfolding real-world spectra, to two baselines. We also investigate general methods for evaluating the performance of and optimizing feature engineering algorithms.

McGreivy, James (ORCID:0000000321723411)↗
DOE OSTI2021

Cosmic Inference: Constraining Parameters with Observations and a Highly Limited Number of Simulations

We look at cosmological probes that pose an inverse problem where the measurement result is obtained through observations, and the objective is to infer values of model parameters that characterize the underlying physical system-our universe, from these observations and theoretical forward-modeling. The only way to accurately forward-model physical behavior on small scales is via expensive numerical simulations, which are further “emulated” due to their high cost. Emulators are commonly built with a set of simulations covering the parameter space with Latin hypercube sampling and an interpolation procedure; the aim is to establish an approximately constant prediction error across the hypercube. In this paper, we provide a description of a novel statistical framework for obtaining accurate parameter constraints. The proposed framework uses multi-output Gaussian process emulators that are adaptively constructed using Bayesian optimization methods with the goal of maintaining a low emulation error in the region of the hypercube preferred by the observational data. In this paper, we compare several approaches for constructing multi-output emulators that enable us to take possible inter-output correlations into account while maintaining the efficiency needed for inference. Using a Lyα forest flux power spectrum, we demonstrate that our adaptive approach requires considerably fewer-by a factor of a few in the Lyα P(k) case considered here-simulations compared to the emulation based on Latin hypercube sampling, and that the method is more robust in reconstructing parameters and their Bayesian credible intervals.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Single-view phase retrieval of an extended sample by exploiting edge detection and sparsity

We propose a new approach to robustly retrieve the exit wave of an extended sample from its coherent diffraction pattern by exploiting sparsity of the sample's edges. This approach enables imaging of an extended sample with a single view, without ptychography. We introduce nonlinear optimization methods that promote sparsity, and we derive update rules to robustly recover the sample's exit wave. We test these methods on simulated samples by varying the sparsity of the edge-detected representation of the exit wave. Finally, our tests illustrate the strengths and limitations of the proposed method in imaging extended samples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Multichannel Analysis of Surface Waves Accelerated (MASWAccelerated): Software for efficient surface wave inversion using MPI and GPUs

Multichannel Analysis of Surface Waves (MASW) is a technique frequently used in geotechnical engineering and engineering geophysics to infer 1D layered models of seismic shear wave velocities in the top tens to hundreds of meters of the subsurface. We aim to accelerate MASW calculations by capitalizing on modern computer hardware available in the workstations of most engineers: multiple cores and graphics processing units (GPUs). We propose new parallel and GPU accelerated algorithms for computing 1D MASW inversion, and provide software implementations in C using Message Passing Interface (MPI) and CUDA. These algorithms take advantage of sparsity that arises in the problem, and the work balance between processes considers typical data trends. We compare our methods to an existing open source Matlab MASW tool. Our serial C implementation achieves a 2x speedup over the Matlab software, and we continue to see improvements by parallelizing the problem with MPI. Here we see nearly perfect strong and weak scaling for uniform data, and improve strong scaling for realistic data by repartitioning the problem to process mapping. By utilizing GPUs available on most modern workstations, we observe an additional 1.3x speedup over the serial C implementation on the first use of the method. We typically repeatedly evaluate theoretical dispersion curves as part of an optimization procedure, and on the GPU the kernel can be cached for faster reuse on later runs. We observe a 3.2x speedup on the cached GPU runs compared to the serial C runs. This work is the first open-source parallel or GPU-accelerated software tool for MASW imaging, and should enable geotechnical engineers to fully utilize all computer hardware at their disposal.

58 GEOSCIENCES↗
DOE OSTI2024

(Doublon) Benchmarking of Different Inverse Point Kinetics Implementations for an Autocorrected Reactimeter Algorithm

In November 2017, the Transient Reactor Test Facility returned to operation. Since that time, many transient test series have been completed, such as the Transient Heatsink Overpower Response capsule (THOR), the Transient Water Irradiation System for TREAT (TWIST), and Sirius. Each has provided valuable data for materials performance and reactor safety that can be applied in future designs. During each experimental series, detector count rates provided important information on the core behavior during transients. However, a limitation of these data is that variations in the neutron distribution during experiments can cause errors when attempting to infer reactivity evolution from detector signals. Neutron physics codes can be used to compute the flux shape variations. However, this is a poor solution when the experimental data is used for code verification, validation and uncertainty quantification. Indeed, if the output of the code is used both as a reference and to correct what the reference is compared to, the circular dependency limits the quality of the verification, validation and uncertainty quantification approach. To overcome this problem, the autocorrected reactimeter algorithm (ACRA) has been developed. This approach infers a time-dependent reactivity evolution by testing different spatial corrections and selecting the one that minimizes reactivity variations when the core is in a frozen configuration (i.e., when there is no variation in parameters affecting reactivity). However, the scope of this method was limited to transients where there were negligible thermal feedback. Indeed, the core is never in a frozen configuration when the fuel temperature varies during the whole transient. This is our motivation for developing an improved version of the ACRA that does not require frozen configurations. To develop this new algorithm, we need a precise and unbiased implementation of the inverse point kinetic equations (IPKEs) as any error in the reactivity evaluation will be propagated into the choice of the optimal spatial correction. Indeed, the previous reactimeter algorithm would use approximations, such as a negligible flux amplitude derivative, to focus on rapidity. For the numerical validation of ACRA, we aim at absolute error under for reactivity derived from signals similar to the one of this study. In this summary, we test eight different IPKE implementations. Each will process a mockup signal built for this study, similar to those that the future ACRA will process. Each reactivity output will be compared to the reference reactivity that has been used to generate the mockup signal. The implementation minimizing the difference with the reference reactivity will be used in the development of a new ACRA formulation.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Convergence Analysis of the Alternating Anderson–Picard Method for Nonlinear Fixed-Point Problems

Anderson acceleration (AA) has been widely used to solve nonlinear fixed-point problems due to its rapid convergence. This work focuses on a variant of AA in which multiple Picard iterations are performed between each AA step, referred to as the Alternating Anderson–Picard (AAP) method. Furthermore, despite introducing more “slow” Picard iterations, this method has been shown to be efficient and even more robust in both linear and nonlinear cases. However, there is a lack of theoretical analysis for AAP in the nonlinear case. In this paper, we address this gap by establishing the equivalence between AAP and a multisecant-GMRES method that uses GMRES to solve a multisecant linear system at each iteration. From this perspective, we show that AAP “converges” to the Newton-GMRES method. Specifically, as the residual approaches zero, the multisecant matrix, the approximate Jacobian inverse, the search direction, and the optimization gain of AAP converge to their counterparts in the Newton-GMRES method. These connections provide insights for analyzing the asymptotic convergence properties of AAP. Consequently, we show that AAP is locally 𝑞-linear convergent and provide an upper bound for the convergence factor of AAP. To validate the theoretical results, numerical examples are provided.

Anderson acceleration↗
DOE OSTI2024

Efficient Mixed-Precision Matrix Factorization of the Inverse Overlap Matrix in Electronic Structure Calculations with AI-Hardware and GPUs

In recent years, a new kind of accelerated hardware has gained popularity in the artificial intelligence (AI) community which enables extremely high-performance tensor contractions in reduced precision for deep neural network calculations. In this article, we exploit Nvidia Tensor cores, a prototypical example of such AI-hardware, to develop a mixed precision approach for computing a dense matrix factorization of the inverse overlap matrix in electronic structure theory, S –1 . This factorization of S –1 , written as ZZT = S –1 , is used to transform the general matrix eigenvalue problem into a standard matrix eigenvalue problem. Here we present a mixed precision iterative refinement algorithm where Z is given recursively using matrix–matrix multiplications and can be computed with high performance on Tensor cores. To understand the performance and accuracy of Tensor cores, comparisons are made to GPU-only implementations in single and double precision. Additionally, we propose a nonparametric stopping criteria which is robust in the face of lower precision floating point operations. The algorithm is particularly useful when we have a good initial guess to Z, for example, from previous time steps in quantum-mechanical molecular dynamics simulations or from a previous iteration in a geometry optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2022

SREMI: Super-resolution electromagnetic imaging with single-channel ground-penetrating radar

High-resolution near-surface imaging has important applications in civil engineering, infrastructure inspection, military threat detection, geological characterization, and lunar and planetary exploration. Zero-offset, singlechannel ground penetrating radar (GPR) imaging is an established technique for near-surface target imaging and sensing but often suffers from low spatial resolution and imaging artifacts, especially of deep structures. In response, we formulate the GPR imaging as a dual-sparsity optimization problem, and develop a super-resolution electromagnetic imaging method based on a fast iterative shrinkage-thresholding algorithm. We develop our GPR imaging method in the framework of electromagnetic exploding-reflectors simulation theory, therefore the imaging method is computationally efficient. In this work, we demonstrate through synthetic and field data examples that our method can produce sharper, more reliable images with fewer artifacts compared with single-pass reverse-time migration GPR method, thus leading to improved near-surface interpretation and object identification.

58 GEOSCIENCES↗
DOE OSTI2024

SQMS Quantum R&D in Machine Learning, Optimization and Sensing beyond Fundamental Physics Applications

This newly formed team at SQMS under the Ecosystem Thrust is looking to develop capabilities impacting societal advances outside the core domain of HEP and condensed matter physics. We explicitly leverage the experimental and algorithmic innovations developed across all groups as well as connect to broad-scope external projects of the diverse team of PIs. As the inaugural set of projects, we are studying numerically quantum machine learning models inspired by efficiently trainable echo-state and orthogonal neural networks and developing designs for related experiments to be performed on quantum processors based on SQMS SRF cQED technology and Rigetti s transmon arrays. Investigated models exploit ideas and lessons learned from multiple prior work by SQMS team members in a variety of internal and external activities [R1]. Target initial applications include noisy signal processing, potentially captured by quantum sensors or noisy QPUs, as well as simulation and classification of healthcare data. For instance, image reconstruction of the brain s electrical properties by solving the inverse Maxwell equation problem with uncertainty [R2] through a hybrid quantum-classical physics-informed architecture for time-dependent processes [R3]. The group is also investigating the application and development of novel quantum sensors based on magnetic levitation of a superconducting sphere coupled to a superconducting qubit. This coupling enables high-precision measurements of the position of the sphere, which can be used for sensitive detection of forces, enabling practical applications such as gravimetry for geophysics analysis, or accelerometry for GPS-denied navigation [R4] [R1] Rieffel, Eleanor G., Ata Akbari Asanjan, M. Sohaib Alam, Namit Anand, David E. Bernal Neira, Sophie Block, Lucas T. Brady et al. "Assessing and advancing the potential of quantum computing: A NASA case study." Future Generation Computer Systems (2024). [R2] Yu, X., Serrall s, J.E., Giannakopoulos, I.I., Liu, Z., Daniel, L., Lattanzi, R. and Zhang, Z., 2023. Pifon-ept: Mr-based electrical property tomography using physics-informed fourier networks. IEEE Journal on Multiscale and Multiphysics Computational Techniques. [R3] Wudarski, Filip, Daniel OConnor, Shaun Geaney, Ata Akbari Asanjan, Max Wilson, Elena Strbac, P. Aaron Lott, and Davide Venturelli. "Hybrid quantum-classical reservoir computing for simulating chaotic systems." arXiv preprint arXiv:2311.14105 (2023). [R4] Higgins, Gerard, Saarik Kalia, and Zhen Liu. "Maglev for dark matter: Dark-photon and axion dark matter sensing with levitated superconductors." Physical Review D 109.5 (2024): 055024.

Venturelli, Davide↗
DOE OSTI2026

Microwave Radiometer

This dataset contains daily files with thermodynamic profiles retrieved with the optimal estimation physical retrieval TROPoe (Turner and Löhnert 2014; Turner and Blumberg 2019; Turner and Löhnert 2021). The profiles are retrieved every 10 minutes from instantaneous brightness temperature measurements at 35 channels observed with a microwave radiometer MP3000A operated by UND on the Barge for WFIP3. Additional input data in TROPoe are cloud base height from a collocated ceilometer operated by NOAA GML and temperature, water vapor mixing ratio, and pressure from a sensor attached to the MWR housing. In addition to these temporally resolved input data, TROPoe requires an a priori dataset (prior) that provides mean climatological estimates of thermodynamic profiles and specifies how temperature and humidity covary with height as an input (for details see, e.g., Djalalova et al. 2022). The prior is a key component of the retrieval and provides a constraint on the ill-posed inversion problem. A monthly prior was computed from operational radiosonde launches at Upton, NY.

17 WIND ENERGY↗
DOE OSTI2025

NANT Site - Microwave Radiometer Thermodynamic Retrievals TROPoe / Derived Data

This dataset contains daily files with thermodynamic profiles retrieved with the optimal estimation physical retrieval TROPoe (Turner and Löhnert 2014; Turner and Blumberg 2019; Turner and Löhnert 2021). The profiles are retrieved every 10 minutes from instantaneous brightness temperature measurements at 35 channels observed with a microwave radiometer MP3000A operated by NOAA Physical Sciences Laboratory on Nantucket Island for WFIP3. Additional input data in TROPoe are cloud base height from a collocated ceilometer operated by NOAA GML and temperature, water vapor mixing ratio, and pressure from a sensor attached to the MWR housing. In addition to these temporally resolved input data, TROPoe requires an a priori dataset (prior) that provides mean climatological estimates of thermodynamic profiles and specifies how temperature and humidity covary with height as an input (for details see, e.g., Djalalova et al. 2022). The prior is a key component of the retrieval and provides a constraint on the ill-posed inversion problem. A monthly prior was computed from operational radiosonde launches at Upton, NY.

17 WIND ENERGY↗
DOE OSTI2015

A general framework of noise suppression in material decomposition for dual-energy CT

Purpose: As a general problem of dual-energy CT (DECT), noise amplification in material decomposition severely reduces the signal-to-noise ratio on the decomposed images compared to that on the original CT images. In this work, the authors propose a general framework of noise suppression in material decomposition for DECT. The method is based on an iterative algorithm recently developed in their group for image-domain decomposition of DECT, with an extension to include nonlinear decomposition models. The generalized framework of iterative DECT decomposition enables beam-hardening correction with simultaneous noise suppression, which improves the clinical benefits of DECT. Methods: The authors propose to suppress noise on the decomposed images of DECT using convex optimization, which is formulated in the form of least-squares estimation with smoothness regularization. Based on the design principles of a best linear unbiased estimator, the authors include the inverse of the estimated variance–covariance matrix of the decomposed images as the penalty weight in the least-squares term. Analytical formulas are derived to compute the variance–covariance matrix for decomposed images with general-form numerical or analytical decomposition. As a demonstration, the authors implement the proposed algorithm on phantom data using an empirical polynomial function of decomposition measured on a calibration scan. The polynomial coefficients are determined from the projection data acquired on a wedge phantom, and the signal decomposition is performed in the projection domain. Results: On the Catphan{sup ®}600 phantom, the proposed noise suppression method reduces the average noise standard deviation of basis material images by one to two orders of magnitude, with a superior performance on spatial resolution as shown in comparisons of line-pair images and modulation transfer function measurements. On the synthesized monoenergetic CT images, the noise standard deviation is reduced by a factor of 2–3. By using nonlinear decomposition on projections, the authors’ method effectively suppresses the streaking artifacts of beam hardening and obtains more uniform images than their previous approach based on a linear model. Similar performance of noise suppression is observed in the results of an anthropomorphic head phantom and a pediatric chest phantom generated by the proposed method. With beam-hardening correction enabled by their approach, the image spatial nonuniformity on the head phantom is reduced from around 10% on the original CT images to 4.9% on the synthesized monoenergetic CT image. On the pediatric chest phantom, their method suppresses image noise standard deviation by a factor of around 7.5, and compared with linear decomposition, it reduces the estimation error of electron densities from 33.3% to 8.6%. Conclusions: The authors propose a general framework of noise suppression in material decomposition for DECT. Phantom studies have shown the proposed method improves the image uniformity and the accuracy of electron density measurements by effective beam-hardening correction and reduces noise level without noticeable resolution loss.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

NOAA PSL Microwave Radiometer Block Island / Thermodynamic retrievals TROPoe

This dataset contains daily files with thermodynamic profiles retrieved with the optimal estimation physical retrieval TROPoe (Turner and Löhnert 2014; Turner and Blumberg 2019; Turner and Löhnert 2021). The profiles are retrieved every 10 minutes from instantaneous brightness temperature measurements at 35 channels observed with a microwave radiometer MP3000A operated by NOAA Physical Sciences Laboratory on the Block Island for WFIP3. Additional input data in TROPoe are cloud base height from a collocated ceilometer operated by NOAA GML and temperature, water vapor mixing ratio, and pressure from a sensor attached to the MWR housing. In addition to these temporally resolved input data, TROPoe requires an a priori dataset (prior) that provides mean climatological estimates of thermodynamic profiles and specifies how temperature and humidity covary with height as an input (for details see, e.g., Djalalova et al. 2022). The prior is a key component of the retrieval and provides a constraint on the ill-posed inversion problem. A monthly prior was computed from operational radiosonde launches at Upton, NY.

17 WIND ENERGY↗
DOE OSTI2024

Reducing measurement costs by recycling the Hessian in adaptive variational quantum algorithms

Abstract Adaptive protocols enable the construction of more efficient state preparation circuits in variational quantum algorithms (VQAs) by utilizing data obtained from the quantum processor during the execution of the algorithm. This idea originated with Adaptive Derivative-Assembled Problem-Tailored variational quantum eigensolver (ADAPT-VQE), an algorithm that iteratively grows the state preparation circuit operator by operator, with each new operator accompanied by a new variational parameter, and where all parameters acquired thus far are optimized in each iteration. In ADAPT-VQE and other adaptive VQAs that followed it, it has been shown that initializing parameters to their optimal values from the previous iteration speeds up convergence and avoids shallow local traps in the parameter landscape. However, no other data from the optimization performed at one iteration is carried over to the next. In this work, we propose an improved quasi-Newton optimization protocol specifically tailored to adaptive VQAs. The distinctive feature in our proposal is that approximate second derivatives of the cost function are recycled across iterations in addition to optimal parameter values. We implement a quasi-Newton optimizer where an approximation to the inverse Hessian matrix is continuously built and grown across the iterations of an adaptive VQA. The resulting algorithm has the flavor of a continuous optimization where the dimension of the search space is augmented when the gradient norm falls below a given threshold. We show that this inter-optimization exchange of second-order information leads the approximate Hessian in the state of the optimizer to be consistently closer to the exact Hessian. As a result, our method achieves a superlinear convergence rate even in situations where the typical implementation of a quasi-Newton optimizer converges only linearly. Our protocol decreases the measurement costs in implementing adaptive VQAs on quantum hardware as well as the runtime of their classical simulation.

Ramôa, Mafalda (ORCID:0000000302187801)↗
DOE OSTI2026

FC Site 4.0 - NLR Thermodynamic profiler (ASSIST II-11) Thermodynamic Retrievals TROPoe

This dataset contains daily files with thermodynamic profiles retrieved with the optimal estimation physical retrieval TROPoe v0.19 (Turner and Löhnert 2014; Turner and Blumberg 2019; Turner and Löhnert 2021). The profiles are retrieved every 10 minutes from instantaneous observations from the NLR ASSIST II infrared spectrometer. Observations are noise-filtered but not averaged in time to minimize errors due to non-uniform clouds. Additional input data in TROPoe are cloud base height (CBH) from co-located scanning lidar. The full pipeline for running the retrieval is available at https://github.com/StefanoWind/TROPoe_processor. Met data was not ingested. In addition to these temporally resolved input data, TROPoe requires an a priori dataset (prior) that provides mean climatological estimates of thermodynamic profiles and specifies how temperature and humidity covary with height as an input (for details see, e.g., Djalalova et al. 2022). The prior is a key component of the retrieval and provides a constraint on the ill-posed inversion problem. A monthly prior was computed from operational radiosonde launches in Denver, CO.

17 WIND ENERGY↗
DOE OSTI2025

NWTC Site 4.0 - NREL ASSIST (SN10) / Thermodynamic retrievals TROPoe

This dataset contains daily files with thermodynamic profiles retrieved with the optimal estimation physical retrieval TROPoe v0.12 (Turner and Löhnert 2014; Turner and Blumberg 2019; Turner and Löhnert 2021). The profiles are retrieved every 10 minutes from instantaneous observations from the NREL ASSIST-II (SN 10) infrared spectrometer. Observations are noise-filtered but not averaged in time to minimize errors due to non-uniform clouds. Additional input data in TROPoe are cloud base height from a Vaisala CL51 ceilometer. The full pipeline for running the retrieval is available at https://github.com/StefanoWind/TROPoe_processor. Met data were not ingested. In addition to these temporally resolved input data, TROPoe requires an a priori dataset (prior) that provides mean climatological estimates of thermodynamic profiles and specifies how temperature and humidity covary with height as an input (for details see, e.g., Djalalova et al. 2022). The prior is a key component of the retrieval and provides a constraint on the ill-posed inversion problem. A monthly prior was computed from operational radiosonde launches at Denver, CO.

17 WIND ENERGY↗
DOE OSTI2025

NWTC Site 3.2 - NREL ASSIST (SN12) / Thermodynamic retrievals TROPoe

This dataset contains daily files with thermodynamic profiles retrieved with the optimal estimation physical retrieval TROPoe v0.12 (Turner and Löhnert 2014; Turner and Blumberg 2019; Turner and Löhnert 2021). The profiles are retrieved every 10 minutes from instantaneous observations from the NREL ASSIST-II (SN 12) infrared spectrometer. Observations are noise-filtered but not averaged in time to minimize errors due to non-uniform clouds. Additional input data in TROPoe are cloud base height from a Vaisala CL51 ceilometer. The full pipeline for running the retrieval is available at https://github.com/StefanoWind/TROPoe_processor. Met data were not ingested. In addition to these temporally resolved input data, TROPoe requires an a priori dataset (prior) that provides mean climatological estimates of thermodynamic profiles and specifies how temperature and humidity covary with height as an input (for details see, e.g., Djalalova et al. 2022). The prior is a key component of the retrieval and provides a constraint on the ill-posed inversion problem. A monthly prior was computed from operational radiosonde launches at Denver, CO.

17 WIND ENERGY↗
DOE OSTI2025

Title NWTC Site 3.2 - NREL ASSIST (SN11) / Thermodynamic retrievals TROPoe

This dataset contains daily files with thermodynamic profiles retrieved with the optimal estimation physical retrieval TROPoe v0.12 (Turner and Löhnert 2014; Turner and Blumberg 2019; Turner and Löhnert 2021). The profiles are retrieved every 10 minutes from instantaneous observations from the NREL ASSIST-II (SN 11) infrared spectrometer. Observations are noise-filtered but not averaged in time to minimize errors due to non-uniform clouds. Additional input data in TROPoe are cloud base height from a Vaisala CL51 ceilometer. The full pipeline for running the retrieval is available at https://github.com/StefanoWind/TROPoe_processor. Met data were not ingested. In addition to these temporally resolved input data, TROPoe requires an a priori dataset (prior) that provides mean climatological estimates of thermodynamic profiles and specifies how temperature and humidity covary with height as an input (for details see, e.g., Djalalova et al. 2022). The prior is a key component of the retrieval and provides a constraint on the ill-posed inversion problem. A monthly prior was computed from operational radiosonde launches at Denver, CO.

17 WIND ENERGY↗