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DOE OSTI2025

Decoding diffraction and spectroscopy data with machine learning: A tutorial

This Tutorial provides a step-by-step guide on how to apply supervised machine-learning techniques to analyze diffraction and spectroscopy data. This Tutorial details four models—a reconstruction-focused model, a regression-focused model, a hybrid reconstruction/regression model, and a multimodal model—that use x-ray diffraction profiles and vibrational density of states spectra to predict various microstructural descriptors. In this Tutorial, we cover data pre-processing steps, constructions of the models via dimensionality reduction and regression, training, and analysis of these models. Comparisons of the model’s performance are provided, highlighting the strength and weakness of the various approaches utilized.

36 MATERIALS SCIENCE↗

NASA NTRS2017

Recovering Nimbus Era Observations at the NASA GES DISC

Between 1964 and 1978, NASA launched a series of seven Nimbus meteorological satellites which provided Earth observations for 30 years. These satellites, carrying a total of 33 instruments to observe the Earth at visible, infrared, ultraviolet, and microwave wavelengths, revolutionized weather forecasting, provided early observations of ocean color and atmospheric ozone, and prototyped location-based search and rescue capabilities. The Nimbus series paved the way for a number of currently operational systems such as the EOS (Earth Observation System) Terra, Aqua, and Aura platforms. The original data archive includes both magnetic tapes and film media. These media are well past their expected end of life, placing at risk valuable data that are critical to extending the history of Earth observations back in time. GES DISC (Goddard Earth Sciences Data and Information Services Center) has been incorporating these data into a modern online archive by recovering the digital data files from the tapes, and scanning images of the data from film strips. The digital data products were written on obsolete hardware systems in outdated file formats, and in the absence of metadata standards at that time, were often written in proprietary file structures. Through a tedious and laborious process, oft-corrupted data are recovered, and incomplete metadata and documentation are reconstructed.

data recovery↗

NASA NTRS2019

Reconstruction of the Advanced Supersonic Parachute Inflation Research Experiment Sounding Rocket Flight Tests with Strengthened Disk-Gap-Band Parachute

The Advanced Supersonic Parachute Inflation Research and Experiments project is a flight test program for development of supersonic parachutes for future use at Mars. The flight tests are a risk-reduction program for the Mars 2020 mission. The flight tests involve two Disk-Gap- Band parachute designs to be tested at relevant Mach number and dynamic pressure regimes for the Mars 2020 entry capsule. The first of these parachutes is a built-to-print design that was successfully employed by the Mars Science Laboratory lander at Mars in August 2012, and the second is a design that is strengthened in material properties and construction methods but has the same geometry as that used by Mars Science Laboratory. The first flight test of the built-to-print parachute took place on October 4, 2017 at NASA's Wallops Flight Facility. The parachute test was successful. The second and third flight tests took place on March 31st and September 7th 2018, respectively, and successfully tested the strengthened parachute design. This paper describes the instrumentation, data analysis techniques, and atmospheric and trajectory reconstruction results from the second and third flight tests.

Karlgaard, Christopher D.↗

DOE OSTI2026

Poisson-response Tensor-on-Tensor Regression and Applications

We introduce Poisson-response tensor-on-tensor regression (PToTR), a novel regression framework designed to handle tensor responses composed element-wise of random Poisson-distributed counts. Tensors, or multi-dimensional arrays, composed of counts are common data in fields such as inter national relations, social networks, epidemiology, and medical imaging, where events occur across multiple dimensions like time, location, and dyads. PToTR accommodates such tensor responses alongside tensor covariates, providing a versatile tool for multi dimensional data analysis. We propose algorithms for maximum likelihood estimation under a canonical polyadic (CP) structure on the regression coefficient tensor that satisfy the positivity of Poisson parameters and then provide an initial theoretical error analysis for PToTR estimators. We also demonstrate the utility of PToTR through three concrete applications: longitudinal data analysis of the Integrated Crisis Early Warning System database, positron emission tomography (PET) image reconstruction, and change-point detection of communication patterns in longitudinal dyadic data. These applications highlight the versatility of PToTR in addressing complex, structured count data across various domains.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

SBND Shower Reconstruction with SPINE

The Short-Baseline Near Detector (SBND) is a liquid argon time projection chamber (LArTPC) neutrino detector in the Short-Baseline Neutrino (SBN) program at Fermilab. SBND is designed to investigate the Low-Energy Excess (LEE), an unexplained excess of electron-like events observed by previous short-baseline neutrino experiments that may point to physics beyond the Standard Model. In LArTPC detectors, precise shower reconstruction is essential for distinguishing electrons from photons, a key requirement for testing possible explanations of the LEE and improving $\nu_e$ event selection. In this poster, the reconstruction studies using the Scalable Particle Imaging with Neural Embeddings (SPINE), a machine learning based reconstruction framework for particle imaging detectors will be presented. SPINE combines sparse convolutional neural networks (CNN) and graph neural networks (GNN) to enable detailed reconstruction and characterization of neutrino interactions in LArTPC detectors. Shower calorimetry and kinematic reconstruction are performed in dedicated post-processing stages. Strong agreement between data and Monte Carlo simulation will be demonstrated, indicating high-precision detector calibration and reconstruction performance. The agreement between reconstructed and true electron shower energy will also be discussed, emphasizing the robustness of the shower reconstruction performance. These results demonstrate the unprecedented precision achievable with SPINE in SBND, highlighting their potential for future high-resolution neutrino measurements.

Fan, Castaly [Florida U.; Fermilab] (ORCID:0000000↗

DOE OSTI2022

A Hybrid Data-Driven and Model-Based Anomaly Detection Scheme for DER Operation: Preprint

This paper proposes a hybrid data and model-based anomaly detection for securing the operation of distributed energy resources (DERs) in distribution grids. Data-driven autoencoders (AE) are set up at the edge level by taking local DER data and detect anomalous operations by leveraging the reconstruction ability. In parallel, model-based state estimation (SE) is running at the system level by taking system models and measurements, the anomalies are identified by analyzing the measurements residual. The hybrid scheme preserves the benefits of both data-driven and model-based analysis and thus improves the robustness and accuracy of anomaly detection. It can be established by getting full use of the existing infrastructures in distribution grids. Numerical tests on a realistic distribution feeder in Southern California highlight the effectiveness as well as benefits of the proposed scheme.

anomaly detection↗

DOE OSTI2024

Iterative Stress Reconstruction Algorithm to Estimate Three-Dimensional Residual Stress Fields in Manufactured Components

Residual stress (RS) significantly impacts the mechanical performance of components. Measurement of RS often provides incomplete data in terms of components of stress and spatial density. Employing such fields in finite element simulations results in significant modification of the field to achieve equilibrium and compatibility among strains. To overcome this, an iterative stress reconstruction algorithm (ISRA) is developed to estimate 3D RS fields that satisfy equilibrium, are stress component-wise complete, and represent the characterized data sampled. An Al 7075-T651 plate and an additively manufactured (AM) A36 steel wall are considered for RS reconstruction using measurement data from the literature. A maximum variation of ~2.5 MPa in the Al plate, and ~10 MPa in the steel wall are observed between the reconstructed and measured stresses. Furthermore, unknown stress components emerge and reach significant magnitudes (upto ~2.3 MPa in the Al plate and ~45 MPa in the AM wall) during ISRA. Indeed, it is found that minor errors in measurement or data processing are eliminated through the physical requirements during ISRA. Employing a reconstructed RS field is hence not just more accurate given its compatibility, but it additionally corrects for minor errors in measurement. Furthermore, it is found that spatially dense measurement data result in convergence with fewer iterations. Finally, although ISRA yields a nonunique solution dependent on boundary conditions, measurement errors, fitting errors, and mesh density, it accommodates for uncertainties and inaccuracies in measurement, as opposed to failing to reach a physically realistic converged solution.

42 ENGINEERING↗

NASA NTRS1981

Application of computer generated color graphic techniques to the processing and display of three dimensional fluid dynamic data

Color coding techniques used in the processing of remote sensing imagery were adapted and applied to the fluid dynamics problems associated with turbofan mixer nozzles. The computer generated color graphics were found to be useful in reconstructing the measured flow field from low resolution experimental data to give more physical meaning to this information and in scanning and interpreting the large volume of computer generated data from the three dimensional viscous computer code used in the analysis.

Anderson, B. H.↗

NASA NTRSDate not supplied

Flow Reconstruction in A Transonic Turbine Cascade Using Physics-Informed Neural Networks (PINNS)

This paper investigates the application of Physics-Informed Neural Networks (PINNs) for the analysis of turbine blades in a transonic cascade. The 2-D flow field in a transonic turbine cascade is reconstructed in three ways: the traditional forward approach (PINN not trained on experimental data), by training the PINN using discrete sets of experimentally measured pressure at midspan, and in the inverse sense where no inlet or outlet pressure boundary conditions are applied. Comparisons between the PINN solutions to measured data are made. This is repeated for three different turbine blades with distinct loading characteristics. Good agreement is shown between a CFD calculation of the CMC7 blade, and the PINN model trained with all data. The PINN is trained utilizing all available data, half the available data, data from only the leading edge region, and data from only the trailing edge region. The forward problem results deviate the most from experimental data but show promise. Solutions from the assisted training cases show that the PINN can reconstruct the flow field with acceptable accuracy when trained on measurements along the entire blade. In the inverse case, it is shown that to simultaneously achieve acceptable errors for inlet Mach number and outlet isentropic Mach number, the PINN must be trained on the static pressure data along the entire blade.

Machine Learning↗

DOE OSTI2020

Limited-view Cone Beam CT reconstruction using 3D Patch-based Supervised and Adversarial Learning [Slides]

We present a novel machine learning CNN architecture that can learn from limited data combined appropriately with physics and statistical priors (e.g., forward models and noise models). To address the limited availability of training data we adopt a 3D patch-based approach for our models. Patch-based learning is central to several image reconstruction methods and demands fewer training data than DL approaches, as a single data volume can be broken into several millions of overlapping 3D sub-volumes or patches. This creates a very large number of training sub-volumes from a limited number of overall image volumes. A 3D Generative Adversarial Networks (GAN) is then trained to remove artifacts at the sub-volume level. The combination of a sub-volume-based approach with DL allows us to exploit the richness of the latter in extracting and representing image features, while avoiding risks associated with overfitting due to limited training data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1993

Computer-aided light sheet flow visualization

A computer-aided flow visualization process has been developed to analyze video images acquired from rotating and translating light sheet visualization systems. The computer process integrates a mathematical model for image reconstruction, advanced computer graphics concepts, and digital image processing to provide a quantitative and visual analysis capability. The image reconstruction model, based on photogrammetry, uses knowledge of the camera and light sheet locations and orientations to project two-dimensional light sheet video images into three-dimensional space. A sophisticated computer visualization package, commonly used to analyze computational fluid dynamics (CFD) data sets, was chosen to interactively display the reconstructed light sheet images, along with the numerical surface geometry for the model or aircraft under study. A description is provided of the photogrammetric reconstruction technique, and the image processing and computer graphics techniques and equipment. Results of the computer aided process applied to both a wind tunnel translating light sheet experiment and an in-flight rotating light sheet experiment are presented. The capability to compare reconstructed experimental light sheet images and CFD solutions in the same graphics environment is also demonstrated.

Stacy, Kathryn↗

NASA NTRS1993

Computer-Aided Light Sheet Flow Visualization

Stacy, Kathryn↗

DOE OSTI2021

CLMM : a LSST-DESC cluster weak lensing mass modeling library for cosmology

ABSTRACT We present the v1.0 release of CLMM, an open source python library for the estimation of the weak lensing masses of clusters of galaxies. CLMM is designed as a stand-alone toolkit of building blocks to enable end-to-end analysis pipeline validation for upcoming cluster cosmology analyses such as the ones that will be performed by the Vera C. Rubin Legacy Survey of Space and Time-Dark Energy Science Collaboration (LSST-DESC). Its purpose is to serve as a flexible, easy-to-install, and easy-to-use interface for both weak lensing simulators and observers and can be applied to real and mock data to study the systematics affecting weak lensing mass reconstruction. At the core of CLMM are routines to model the weak lensing shear signal given the underlying mass distribution of galaxy clusters and a set of data operations to prepare the corresponding data vectors. The theoretical predictions rely on existing software, used as backends in the code, that have been thoroughly tested and cross-checked. Combined theoretical predictions and data can be used to constrain the mass distribution of galaxy clusters as demonstrated in a suite of example Jupyter Notebooks shipped with the software and also available in the extensive online documentation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Determination of jet calibration and energy resolution in proton–proton collisions at $\sqrt{s} = 8~\hbox {TeV}$ using the ATLAS detector

The jet energy scale, jet energy resolution, and their systematic uncertainties are measured for jets reconstructed with the ATLAS detector in 2012 using proton–proton data produced at a centre-of-mass energy of 8 TeV with an integrated luminosity of 20fb -1 . Jets are reconstructed from clusters of energy depositions in the ATLAS calorimeters using the anti-k t algorithm. A jet calibration scheme is applied in multiple steps, each addressing specific effects including mitigation of contributions from additional proton–proton collisions, loss of energy in dead material, calorimeter non-compensation, angular biases and other global jet effects. The final calibration step uses several in situ techniques and corrects for residual effects not captured by the initial calibration. Furthermore, these analyses measure both the jet energy scale and resolution by exploiting the transverse momentum balance in γ + jet, Z + jet, dijet, and multijet events. A statistical combination of these measurements is performed. In the central detector region, the derived calibration has a precision better than 1% for jets with transverse momentum 150 GeV < p T < 1500 GeV, and the relative energy resolution is (8.4 ± 0.6)% for p T =100 GeV and (23 ± 2)% for p T =20 GeV. The calibration scheme for jets with radius parameter R = 1.0, for which jets receive a dedicated calibration of the jet mass, is also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1994

Improved image decompression for reduced transform coding artifacts

The perceived quality of images reconstructed from low bit rate compression is severely degraded by the appearance of transform coding artifacts. This paper proposes a method for producing higher quality reconstructed images based on a stochastic model for the image data. Quantization (scalar or vector) partitions the transform coefficient space and maps all points in a partition cell to a representative reconstruction point, usually taken as the centroid of the cell. The proposed image estimation technique selects the reconstruction point within the quantization partition cell which results in a reconstructed image which best fits a non-Gaussian Markov random field (MRF) image model. This approach results in a convex constrained optimization problem which can be solved iteratively. At each iteration, the gradient projection method is used to update the estimate based on the image model. In the transform domain, the resulting coefficient reconstruction points are projected to the particular quantization partition cells defined by the compressed image. Experimental results will be shown for images compressed using scalar quantization of block DCT and using vector quantization of subband wavelet transform. The proposed image decompression provides a reconstructed image with reduced visibility of transform coding artifacts and superior perceived quality.

Orourke, Thomas P.↗

NASA NTRS1995

Gravity Sensors and the Role of 3-D Visualization and Simulation in Biomedical Research

Ross 3.0 software was developed in the Biocomputation Center for semi-automated reconstruction of objects from serial thin sections. Data are captured directly from a transmission electron microscope via a video camera to a graphics workstation where the sections are mosaicked and contours are traced, registered and displayed by semi-automated methods. For the first time, macular type II cells are described completely for their innervation patterns. The purposes are to learn more about the fundamental circuitry of the macula and to demonstrate whether the terminals are altered morphologically by space flight. Current examples, from the medial part of the macula, are from maculas collected in-flight on the Space Life Sciences-2 mission, 4.5 hrs post-flight, and from a ground control. Results show that the typical type 11 cell receives processes from up to six nearby calyces or afferents. Nearly all the processes are elongated; some have bouton-like swellings and numerous vesicles. Multiple (2 to 4) processes from a single calyx to a type II cell are common, and approx. 1/3 of the processes innervate 2 type II cells of a neighboring cluster of 3 cells. About 2% of type II cells resemble type I cells morphologically and are surrounded by demicalyces. Differences in size or shape of the terminals under flight conditions could not be determined because the sample size is still too small; but it is clear that reconstruction methods provide insights into macular circuitry not obtainable by other techniques. The results demonstrate a morphological basis for interactions between adjacent receptive fields, through feedback-feedforward connections, during preprocessing of linear acceleratory information by the maculas. While the methods are currently being tested using vestibular maculas as the model system, it is clear that the technology is applicable to any tissue that can be physically or optically sectioned. ROSS software has already been implemented for reconstructing objects from tissues studied by confocal and by transmitted light microscopy, and research into magnetic resonance imaging-computational tomography combined visualization are underway.

Ross, Muriel D.↗

DOE OSTI2022

Deeply learning deep inelastic scattering kinematics

We study the use of deep learning techniques to reconstruct the kinematics of the neutral current deep inelastic scattering (DIS) process in electron–proton collisions. In particular, we use simulated data from the ZEUS experiment at the HERA accelerator facility, and train deep neural networks to reconstruct the kinematic variables Q 2 and x. Our approach is based on the information used in the classical construction methods, the measurements of the scattered lepton, and the hadronic final state in the detector, but is enhanced through correlations and patterns revealed with the simulated data sets. We show that, with the appropriate selection of a training set, the neural networks sufficiently surpass all classical reconstruction methods on most of the kinematic range considered. Rapid access to large samples of simulated data and the ability of neural networks to effectively extract information from large data sets, both suggest that deep learning techniques to reconstruct DIS kinematics can serve as a rigorous method to combine and outperform the classical reconstruction methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Leveraging Optimal Sparse Sensor Placement to Aggregate a Network of Digital Twins for Nuclear Subsystems

Nuclear power plants (NPPs) require continuous monitoring of various systems, structures, and components to ensure safe and efficient operations. The critical safety testing of new fuel compositions and the analysis of the effects of power transients on core temperatures can be achieved through modeling and simulations. They capture the dynamics of the physical phenomenon associated with failure modes and facilitate the creation of digital twins (DTs). Accurate reconstruction of fields of interest (e.g., temperature, pressure, velocity) from sensor measurements is crucial to establish a two-way communication between physical experiments and models. Sensor placement is highly constrained in most nuclear subsystems due to challenging operating conditions and inherent spatial limitations. This study develops optimized data-driven sensor placements for full-field reconstruction within reactor and steam generator subsystems of NPPs. Optimized constrained sensors reconstruct field of interest within a tri-structural isotropic (TRISO) fuel irradiation experiment, a lumped parameter model of a nuclear fuel test rod and a steam generator. The optimization procedure leverages reduced-order models of flow physics to provide a highly accurate full-field reconstruction of responses of interest, noise-induced uncertainty quantification and physically feasible sensor locations. Accurate sensor-based reconstructions establish a foundation for the digital twinning of subsystems, culminating in a comprehensive DT aggregate of an NPP.

42 ENGINEERING↗