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NASA NTRS2023

Aurora Detection From Nighttime Lights for Earth and Space Science Applications

This research leverages data from the Day/Night Band (DNB) of the Visible Infrared Imaging Radiometer (VIIRS) instrument onboard the Suomi National Polar-orbiting Partnership (S-NPP) satellite. We demonstrate the value of mining the VIIRS DNB for aurora and describe our use of unsupervised machine learning to create a binary mask for aurora occurrence. This mask can be used to flag aurora-contaminated observations for NASA's nighttime lights products for Earth science applications. The identification of auroral regions can also be used for Space Weather applications, for example, for comparison with aurora forecast model and with other satellite- or ground-based aurora observations. The DNB is a broadband channel that is sensitive to wavelengths from 500 to 900 nm, which covers most of the visible light spectrum, and as the name implies, captures light even at night with a sensitivity at the nanowatt level. This band is suitable for aurora observations since the light emitted by the aurora tends to be dominated by emissions from atomic oxygen, resulting in a greenish glow at a wavelength of 557.7 nm, especially at an altitude of 110 km. This study compares the global nighttime derived aurora regions for 17 and 18 March with the NOAA Space Weather Prediction Center's (SWPC) probability product for the St. Patrick's Day geomagnetic storm in 2015. VIIRS sensors are slated to be added to the next generation of polar-orbiting operational satellites. Our novel automated approach to aurora identification opens up an efficient way to leverage this unique data source.

Aurora↗

NASA NTRS2012

Using Information From Prior Satellite Scans to Improve Cloud Detection Near the Day-Night Terminator

With geostationary satellite data it is possible to have a continuous record of diurnal cycles of cloud properties for a large portion of the globe. Daytime cloud property retrieval algorithms are typically superior to nighttime algorithms because daytime methods utilize measurements of reflected solar radiation. However, reflected solar radiation is difficult to accurately model for high solar zenith angles where the amount of incident radiation is small. Clear and cloudy scenes can exhibit very small differences in reflected radiation and threshold-based cloud detection methods have more difficulty setting the proper thresholds for accurate cloud detection. Because top-of-atmosphere radiances are typically more accurately modeled outside the terminator region, information from previous scans can help guide cloud detection near the terminator. This paper presents an algorithm that uses cloud fraction and clear and cloudy infrared brightness temperatures from previous satellite scan times to improve the performance of a threshold-based cloud mask near the terminator. Comparisons of daytime, nighttime, and terminator cloud fraction derived from Geostationary Operational Environmental Satellite (GOES) radiance measurements show that the algorithm greatly reduces the number of false cloud detections and smoothes the transition from the daytime to the nighttime clod detection algorithm. Comparisons with the Geoscience Laser Altimeter System (GLAS) data show that using this algorithm decreases the number of false detections by approximately 20 percentage points.

Yost, Christopher R.↗

NASA NTRS2004

Masked Proportional Routing

Masked proportional routing is an improved procedure for choosing links between adjacent nodes of a network for the purpose of transporting an entity from a source node ("A") to a destination node ("B"). The entity could be, for example, a physical object to be shipped, in which case the nodes would represent waypoints and the links would represent roads or other paths between waypoints. For another example, the entity could be a message or packet of data to be transmitted from A to B, in which case the nodes could be computer-controlled switching stations and the links could be communication channels between the stations. In yet another example, an entity could represent a workpiece while links and nodes could represent, respectively, manufacturing processes and stages in the progress of the workpiece towards a finished product. More generally, the nodes could represent states of an entity and the links could represent allowed transitions of the entity. The purpose of masked proportional routing and of related prior routing procedures is to schedule transitions of entities from their initial states ("A") to their final states ("B") in such a manner as to minimize a cost or to attain some other measure of optimality or efficiency. Masked proportional routing follows a distributed (in the sense of decentralized) approach to probabilistically or deterministically choosing the links. It was developed to satisfy a need for a routing procedure that 1. Does not always choose the same link(s), even for two instances characterized by identical estimated values of associated cost functions; 2. Enables a graceful transition from one set of links to another set of links as the circumstances of operation of the network change over time; 3. Is preferably amenable to separate optimization of different portions of the network; 4. Is preferably usable in a network in which some of the routing decisions are made by one or more other procedure(s); 5. Preferably does not cause an entity to visit the same node twice; and 6. Preferably can be modified so that separate entities moving from A to B do not arrive out of order.

Wolpert, David↗

DOE OSTI2026

Dark Energy Survey Year 3 results: optimized $w$CDM simulation-based inference with weak lensing map-level hybrid statistics

We present cosmological constraints from the Dark Energy Survey Year 3 (DES Y3) weak lensing data using hierarchical hybrid statistics within a Bayesian simulation-based inference framework that is based on the Gower Street simulations. To maximize the precision of the inference, we have developed a new, information-theory based, data compression of the weak lensing maps to just seven highly informative summary statistics. The hybrid scheme exploits the high information content of the power spectrum, compressing both the power spectrum and neural-based summaries that are designed to extract further information. Our simulation-based approach enables principled forward modelling of all major sources of systematic uncertainty and survey properties into realistic mock observations, including the survey mask, photometric redshift uncertainties, intrinsic galaxy alignments, multiplicative shear calibration bias, source galaxy clustering, non-Gaussian shape noise, and non-linear structure formation. The summary statistics are then used in a Bayesian simulation-based inference pipeline. The inference is validated through coverage tests and checks for robustness against baryonic feedback. Assuming a $w$CDM cosmology, our analysis yields $S_8 = 0.808 \pm 0.017$, $Ω_{\rm m} = 0.325 \pm 0.024$, and $w < -0.766$ (marginalized posterior 68 per cent credible intervals). This rigorous combination of information theory, physics- and neural network-based extreme data compression, and principled Bayesian analysis improves the figure of merit for $(Ω_{\rm m}, S_8, w)$ by 60 per cent over the previous state-of-the-art, and by almost a factor of 3 over two-point analyses of the same data. They are the most precise joint constraints on $(Ω_{\rm m}, S_8, w)$ from weak gravitational lensing data alone of any survey to date. We intend to apply this analysis to the more recent DES Y6 data.

Williamson, J. [University Coll. London]↗

DOE OSTI2020

Disorderly Conduct of Benzamide IV: Crystallographic and Computational Analysis of High Entropy Polymorphs of Small Molecules

Benzamide, a simple derivative of benzoic acid and a common intermediate of pharmaceutical compounds, was reported to form two polymorphs in 1832, but the single crystal structure of the more stable form was not solved until 1959. Nearly 50 years later, the second form was characterized by powder diffraction, followed shortly thereafter by characterization of a third form, a polytype of the most thermodynamically stable Form I. These two new forms, Forms II and III, are metastable. Herein, we describe a fourth polymorph, Form IV, discovered by melt crystallization concurrently with its crystallization under confinement at small length scales (<10 nm), where it is stable indefinitely. Form III exists under confinement in larger pores, and melting point data for different pore sizes corroborate the existence of Form IV below 10 nm. Form IV is highly disordered, precluding indexing of powder diffraction data other than hk0 reflections. Nonetheless, a combination of powder X-ray diffraction and computational crystal structure prediction reveals that Form IV contains a 2D motif resembling that of Form II, but with longrange order in the third dimension masked by ubiquitous stacking faults. This approach relies on distilling a large number of candidate structures to a few possible disorder models based on benzamide tetrads that organize in 2D parquet-like tiles, with organization along the third dimension, that can be modeled with various stacking fault configurations having distinct intermolecular interactions and translations in the dimension orthogonal to the tiling planes. These observations reveal a bewildering crystallographic complexity for such a simple molecule. Nonetheless, the approach described herein demonstrates that challenging structures that may be abandoned prematurely because of poor crystallinity, twinning, or disorder can be solved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

TransPolymer: a Transformer-based language model for polymer property predictions

Accurate and efficient prediction of polymer properties is of great significance in polymer design. Conventionally, expensive and time-consuming experiments or simulations are required to evaluate polymer functions. Recently, Transformer models, equipped with self-attention mechanisms, have exhibited superior performance in natural language processing. However, such methods have not been investigated in polymer sciences. Herein, we report TransPolymer, a Transformer-based language model for polymer property prediction. Our proposed polymer tokenizer with chemical awareness enables learning representations from polymer sequences. Rigorous experiments on ten polymer property prediction benchmarks demonstrate the superior performance of TransPolymer. Moreover, we show that TransPolymer benefits from pretraining on large unlabeled dataset via Masked Language Modeling. Experimental results further manifest the important role of self-attention in modeling polymer sequences. We highlight this model as a promising computational tool for promoting rational polymer design and understanding structure-property relationships from a data science view.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Emission spectroscopy with coded apertures for enhanced dimensionality

A coded aperture is used to demonstrate emission spectroscopy from multiple one-dimensional measurement locations simultaneously with a single camera. The coded aperture mask has several columns of periodic apertures, each with a unique spatial frequency. Light transmitted through all mask columns is detected through an imaging spectrometer. Dispersed light from the various mask columns overlaps on the spectrometer camera but is separated using Fourier-domain filtering using the known spatial frequencies of the mask. As the coded aperture is placed at an image plane, each Fourier-filtered spectrogram comes from a unique one-dimensional measurement location. This technique represents a significant increase in the amount of spatially and spectrally resolved emission data available using a single emission spectrometer and camera at the expense of some spatial resolution due to the Fourier filtering. This instrument is particularly useful for studying transient, non-repeating events. Megahertz-rate emission spectroscopy from five one-dimensional measurement locations is demonstrated with explosive fireballs using a single camera. Optical design parameters and instrument performance characteristics are discussed.

42 ENGINEERING↗

NASA NTRS1982

A direct-measurement technique for estimating discharge-chamber lifetime

The use of short-term measurement techniques for predicting the wearout of ion thrusters resulting from sputter-erosion damage is investigated. The laminar-thin-film technique is found to provide high precision erosion-rate data, although the erosion rates are generally substantially higher than those found during long-term erosion tests, so that the results must be interpreted in a relative sense. A technique for obtaining absolute measurements is developed using a masked-substrate arrangement. This new technique provides a means for estimating the lifetimes of critical discharge-chamber components based on direct measurements of sputter-erosion depths obtained during short-duration (approximately 1 hr) tests. Results obtained using the direct-measurement technique are shown to agree with sputter-erosion depths calculated for the plasma conditions of the test. The direct-measurement approach is found to be applicable to both mercury and argon discharge-plasma environments and will be useful for estimating the lifetimes of inert gas and extended performance mercury ion thrusters currently under development.

Beattie, J. R.↗

NASA NTRS1991

Remote spectral identification of surface aggregates by thermal imaging techniques - Progress report

The NASA Thermal Infrared Multispectral Scanner (TIMS) has been successfully used for the remote identification of a variety of soil and aggregate deposits in vegetated areas of two states. Over three million cubic meters of gravel deposits were identified from the imagery during a two year period. Verification was accomplished by ground reconnaissance using drilling machinery and by ground instrumentation. The method has been used to differentiate between fine and coarse grained soils, and gravel deposits. The deposits were found to have been naturally sorted according to grain size by depositional processes, providing each deposit with distinct spectral qualities. It was found that the masking effects of relatively dense vegetation were largely overcome by using imagery acquired at higher altitudes above terrain than 9000 meters, due to loss of resolution of the finer detail. The mechanics of image resolution are discussed, a method of data analysis used is described, and sample spectral signatures are illustrated.

Scholen, Douglas E.↗

DOE OSTI2022

‘Flux+Mutability’: a conditional generative approach to one-class classification and anomaly detection

Abstract Anomaly Detection is becoming increasingly popular within the experimental physics community. At experiments such as the Large Hadron Collider, anomaly detection is growing in interest for finding new physics beyond the Standard Model. This paper details the implementation of a novel Machine Learning architecture, called Flux+Mutability, which combines cutting-edge conditional generative models with clustering algorithms. In the ‘flux’ stage we learn the distribution of a reference class. The ‘mutability’ stage at inference addresses if data significantly deviates from the reference class. We demonstrate the validity of our approach and its connection to multiple problems spanning from one-class classification to anomaly detection. In particular, we apply our method to the isolation of neutral showers in an electromagnetic calorimeter and show its performance in detecting anomalous dijets events from standard QCD background. This approach limits assumptions on the reference sample and remains agnostic to the complementary class of objects of a given problem. We describe the possibility of dynamically generating a reference population and defining selection criteria via quantile cuts. Remarkably this flexible architecture can be deployed for a wide range of problems, and applications like multi-class classification or data quality control are left for further exploration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Atomic Energy Accuracy of Neural Network Potentials: Harnessing Pretraining and Transfer Learning

Machine learning-based interatomic potentials (MLIPs) have transformed the prediction of potential energy surfaces (PESs), achieving accuracy comparable to ab initio calculations. However, atomic energy predictions, often assumed to lack physical meaning, remain underexplored. In this study, we demonstrate that inaccuracies in atomic energy predictions reduce the robustness and transferability of Neural Network Potentials (NNPs) and atomic energy error can be masked in total energy predictions due to error cancellation. Here, we validate this finding using challenging configurations involving deformation and failure under tensile loading. By pretraining atomic energy predictions using empirical potentials and applying transfer learning with density functional theory (DFT) data, we achieve notable improvements in the accuracy of total energy, forces, and stress predictions. Furthermore, this approach enhances the robustness and transferability of NNPs, emphasizing the importance of atomic energy predictions in developing high-quality and reliable MLIPs.

Active Learning↗

NASA NTRS2001

Rayleigh Scattering Diagnostic for Dynamic Measurement of Velocity and Temperature

A new technique for measuring dynamic gas velocity and temperature is described. The technique is based on molecular Rayleigh scattering of laser light, so no seeding of the flow is necessary. The Rayleigh scattered light is filtered with a fixed cavity, planar mirror Fabry-Perot interferometer. A minimum number of photodetectors were used in order to allow the high data acquisition rate needed for dynamic measurements. One photomultiplier tube (PMT) was used to measure the total Rayleigh scattering, which is proportional to the gas density. Two additional PMTs were used to detect light that passes through two apertures in a mask located in the interferometer fringe plane. An uncertainty analysis was used to select the optimum aperture parameters and to predict the measurement uncertainty due to photon shot-noise. Results of an experiment to measure the velocity of a subsonic free jet are presented.

Seasholtz, Richard G.↗

DOE OSTI2021

Dark Energy Survey Year 3 Results: Deep Field optical + near-infrared images and catalogue

ABSTRACT We describe the Dark Energy Survey (DES) Deep Fields, a set of images and associated multiwavelength catalogue (ugrizJHKs) built from Dark Energy Camera (DECam) and Visible and Infrared Survey Telescope for Astronomy (VISTA) data. The DES Deep Fields comprise 11 fields (10 DES supernova fields plus COSMOS), with a total area of ∼30 sq. deg. in ugriz bands and reaching a maximum i-band depth of 26.75 (AB, 10σ, 2 arcsec). We present a catalogue for the DES 3-yr cosmology analysis of those four fields with full 8-band coverage, totalling 5.88 sq. deg. after masking. Numbering 2.8 million objects (1.6 million post-masking), our catalogue is drawn from images coadded to consistent depths of r = 25.7, i = 25, and z = 24.3 mag. We use a new model-fitting code, built upon established methods, to deblend sources and ensure consistent colours across the u-band to Ks-band wavelength range. We further detail the tight control we maintain over the point-spread function modelling required for the model fitting, astrometry and consistency of photometry between the four fields. The catalogue allows us to perform a careful star–galaxy separation and produces excellent photometric redshift performance (NMAD = 0.023 at i < 23). The Deep-Fields catalogue will be made available as part of the cosmology data products release, following the completion of the DES 3-yr weak lensing and galaxy clustering cosmology work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Data for "High-resolution microCT reveals relationships between stomata and interior leaf anatomy in Sorghum"

Includes three different types of stacks, in two folders: "REC_RAW_STACKS.zip" contains: (1) Raw gray-scale reconstructed microCT x-ray scans, in the form of individual stacks per sample. "ML_STACKS.zip" contains: (2) Stacks that have been labeled using a machine-learning mask-RCNN pipeline identifying epidermis, mesophyll, airspace, vascular bundle, and background. (3) Stacks that have stomata locations labeled using a small point. The three types of stacks were used to calculate a variety of anatomical and physiological traits, using ImageJ Macros provided on Github: https://github.com/leakey-lab/microCT-Macros-Fischer. Young leaves from WT and transgenic Sorghum plants. CSV "microCT_REC2_META.csv" contains metadata, including sample/sub-sample labels.

3D↗

DOE OSTI2023

Simulation Based Inference with Domain Adaptation for Strong Gravitational Lensing

Simulation based inference leverages machine learning to carry out Bayesian inference for systems with intractable likelihoods. However, transitioning a network trained on simulated data to real data runs the risk of encountering domain shift, leading to performance losses. We attempt to implement domain adaptation into the sbi neural posterior estimation framework using the Maximum Mean Discrepancy as an additional network loss. We test two network architectures and use masked autoregressive flow for density estimation. We test the network on a set of 400,000 simulated strong gravitational lensing images generated using deeplenstronomy. The source domain is defined as low noise whereas the target domain has a noise profile sampled from experimentally derived DES survey conditions. We find that, while DA does lead to performance improvements, they are marginal at ~6% less inference error. We also find a similar marginal improvement in uncertainty calibration at around 8%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1973

Plasma column changes at small solar elongations

The differenced range versus integrated Doppler (DRVID) technique was used to study charged particle changes in the ray path between earth and Mariner 9. For plasma activity near the sun, DRVID data were obtained from August 10 to October 24, 1972, surrounding the Mariner 9 superior conjunction on September 7. If the records are viewed in terms of range change or range change rate, the day-to-day fluctuations in these quantities mask the changes expected due to the varying solar elongation. Thus, while the steady-state total electron content varies by a factor of 4, the columnar content changes show no systematic variations.

Callahan, P. S.↗

NASA NTRS1974

Infrared, radio, and X-ray observations of Cygnus X-3

Infrared observations of Cyg X-3 are presented along with X-ray and radio data. A study of the data shows evidence for several types of behavior in the infrared flux variations of Cyg X-3. It is pointed out that a lack of periodic variations observed can be due either to a real absence of these variations or to a masking by an outburst preceding the observation time. There is no simple radio-infrared correlation, although both radio and infrared emissions were observed during the same period of time.

Becklin, E. E.↗

NASA NTRS1992

Comparison of radar backscatter from Antarctic and Arctic sea ice

Two ship-based step-frequency radars, one at C-band (5.3 GHz) and one at Ku-band (13.9 GHz), measured backscatter from ice in the Weddell Sea. Most of the backscatter data were from first-year (FY) and second-year (SY) ice at the ice stations where the ship was stationary and detailed snow and ice characterizations were performed. The presence of a slush layer at the snow-ice interface masks the distinction between FY and SY ice in the Weddell Sea, whereas in the Arctic the separation is quite distinct. The effect of snow-covered ice on backscattering coefficients (sigma0) from the Weddell Sea region indicates that surface scattering is the dominant factor. Measured sigma0 values were compared with Kirchhoff and regression-analysis models. The Weibull power-density function was used to fit the measured backscattering coefficients at 45 deg.

Hosseinmostafa, R.↗