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At least 19 records

Reward Driven Workflows for Unsupervised Explainable Analysis of Phases and Ferroic Variants From Atomically Resolved Imaging Data

Rapid progress in aberration corrected electron microscopy necessitates development of robust methods for the identification of phases, ferroic variants, and other pertinent aspects of materials structure from imaging data. While unsupervised methods for clustering and classification are widely used for these tasks, their performance can be sensitive to hyperparameter selection in the analysis workflow. In this study, the effects of descriptors and hyperparameters are explored on the capability of unsupervised ML methods to distill local structural information, exemplified by the discovery of polarization and lattice distortion in Sm − dopped BiFeO 3 (BFO) thin films. It is demonstrated that a reward-driven approach can be used to optimize these key hyperparameters across the full workflow, where rewards are designed to reflect domain wall continuity and straightness, ensuring that the analysis aligns with the material's physical behavior. This approach allows the discovery of local descriptors that are best aligned with the specific physical behavior, providing insight into the fundamental physics of materials. The reward driven workflow is further extended to disentangle structural factors of variation via an optimized variational autoencoder (VAE). Lastly, the importance of well-defined rewards is explored as a quantifiable measure of the success of the workflow.

Barakati, Kamyar [University of Tennessee, Knoxvil

A three-point velocity estimation method for two-dimensional coarse-grained imaging data

Time delay and velocity estimation methods have been widely studied subjects in the context of signal processing, with applications in many different fields of physics. The velocity of waves or coherent fluctuation structures is commonly estimated as the distance between two measurement points divided by the time lag that maximizes the cross correlation function between the measured signals, but this is demonstrated to result in erroneous estimates for two spatial dimensions. We present an improved method to accurately estimate both components of the velocity vector, relying on three non-aligned measurement points. We introduce a stochastic process describing the fluctuations as a superposition of uncorrelated pulses moving in two dimensions. Using this model, we show that the three-point velocity estimation method, using time delays calculated through cross correlations, yields the exact velocity components when all pulses have the same velocity. The two- and three-point methods are tested on synthetic data generated from realizations of such processes for which the underlying velocity components are known. The results reveal the superiority of the three-point technique. Finally, we demonstrate the applicability of the velocity estimation on gas puff imaging data of strongly intermittent plasma fluctuations due to the radial motion of coherent, blob-like structures at the boundary of the Alcator C-Mod tokamak.

Materials Science

Vertical Structure of Local Disk Galaxies Revealed by DESI Imaging Data

The vertical structure of galactic disks is an important probe of the disk assembly history. Here we investigate the vertical structure of a sample of 79 local disk galaxies within 50 Mpc using data from the Dark Energy Spectroscopic Instrument Legacy Imaging Surveys. Vertical luminosity profiles as a function of radius in the g, r, and z bands are extracted and fitted using a single-component sech2 model to determine scale height and its radial variation (i.e., flaring). Our measurements indicate local galactic disks are overall thin with negligible flaring. The median scale heights at 1 R e are 0.21, 0.22, and 0.22 kpc in the g, r, and z bands, respectively, while the median radial gradients of scale height are −0.006, 0.003, and 0.001 in these bands. These values are consistent with that of the geometric thin disk of the Milky Way represented by metal-rich, low-[α/Fe] populations, confirming the weak flaring of the geometric thin disk. A clear positive correlation of scale height with stellar mass is observed down to the low-mass end of 10 7 M ⊙ . These results provide a homogeneous benchmark for the vertical structure of nearby disk galaxies and establish the cosmological representativeness of the Milky Way thin disk.

79 ASTRONOMY AND ASTROPHYSICS

NWB Sensors Infrared Cloud Imager Data Products from SGP

NWB Sensors is a company which has developed a commercially available Infrared Cloud Imager (ICI). For more information, consult the company's webpage, https://www.nwbsensors.com/infrared-cloud-imager. To validate the radiometric accuracy of the ICI, NWB Sensors deployed it to the ARM SGP User Facility in 2023. The primary motivation of this deployment was to perform an intercomparison between the ICI and the Atmospheric Emitted Radiance Interferometer (AERI). The AERI spectral radiance data product can be integrated across the response function of the ICI and directly compared to the zenith radiance observed by the ICI. In addition, the ICI uses proprietary models of the downwelling clear-sky radiance in its cloud processing algorithms. They are based on surface meteorology and precipitable water vapor (PWV). These models were validated by comparing their predicted radiances to those derived from radiative transfer models of the ARM radiosondes. Finally, PWV observations derived from the ICI's onboard GNSS-based PWV retrieval system were compared against those from the microwave radiometer. This dataset contains the ICI radiance and cloud data products.

Atmosphere

In situ Visible Light and Thermal Imaging Data from a Laser Powder Bed Fusion Additive Manufacturing Process Co-Registered to X-ray Computed Tomography and Fatigue Data

This dataset is comprised of in situ sensing data collected during a laser-based powder bed fusion additive manufacturing process, as well as rasterized scan path information, post-build X-ray computed tomography (XCT), and fatigue test results. A total of 64 cylinders, approximately 15 mm in diameter and 102 mm tall, were printed out of stainless steel 316H on a Colibrium Additive Concept Laser M2 Series 5 machine. Parameters known to produce dense material were used to construct 56 of these cylinders, while the remaining 8 cylinders were printed with relatively high energy density parameters prone to producing keyhole pores. In addition, two spatter generation blocks were constructed upstream of the 64 cylinders such that ejecta produced during the melting of the spatter generators were stochastically seeded onto the 64 cylinders. Based on previous experiments, these spatter particles were theorized to produce stochastic lack-of-fusion pores. During the construction of the build, high-resolution images of reflected light in the visible spectrum were captured both before and after recoating for each print layer. Additionally, temporally integrated thermal imaging in the near infrared spectrum produced integrated sum and max images on a layerwise basis. The multimodal in situ data has been co-registered to the build plate coordinate system, allowing for identification of process anomalies (e.g., spatter particles) apparent in the two sensors. Following construction of the build, the cylinders were subjected to XCT to identify internal flaws, and the resulting data have also been registered to the build plate coordinate system. Finally, 60 of the 64 cylinders were machined into fatigue coupons conforming to ASTM E466 and subsequently subjected to either high- or -low-cycle fatigue testing. The results of the fatigue tests have also been included in the dataset, and the XCT data corresponded to the approximate location of the gauge sections of the machine fatigue specimen geometry.

42 ENGINEERING

BrainXcan identifies brain features associated with behavioral and psychiatric traits using large-scale genetic and imaging data

Advances in brain MRI have enabled many discoveries in neuroscience. Case-control comparisons of brain MRI features have highlighted potential causes of psychiatric and behavioral disorders. However, due to the cost and difficulty of collecting MRI data, most studies have small sample sizes, limiting their reliability. Furthermore, reverse causality complicates interpretation because many observed brain differences are the result rather than the cause of the disease. Here we propose a method (BrainXcan) that leverages the power of large-scale genomewide association studies (GWAS) and reference brain MRI data to discover new mechanisms of disease etiology and validate existing ones. BrainXcan tests the association with genetic predictors of brain MRI-derived features and complex traits to pinpoint relevant brain-wide and region-specific features. Requiring only genetic data, BrainXcan allows us to test a host of hypotheses on mental illness, across many MRI modalities, using public data resources. For example, our method shows that reduced axonal density across the brain is associated with schizophrenia risk, consistent with the disconnectivity hypothesis. We also find that the hippocampus volume is associated with schizophrenia risk, highlighting the potential of our approach. Taken together, our results show the promise of BrainXcan to provide insights into the biology of GWAS traits.

Association study

Improving microstructures segmentation via pretraining with synthetic data

Image analysis of material microstructures through microscopy is an integral capability in the field of materials science. The topological and chemical information obtained through microscopy allow us to draw vital connections between material microstructures, properties, and processing. While scanning electron microscopy (SEM) is able to yield a considerable wealth of information interpretable by the intuition of experts, there has been considerable interest in using machine learning, convolutional neural networks (CNNs) in particular, for such image analysis task. Training CNNs for an image analysis task requires a large annotated dataset. However, in many materials science applications, obtaining a large annotated dataset is cost and labor intensive. In this work, we study the use of synthetic data to enlarge the available annotated experimental data of uranium oxide. We utilize a modified Potts model to simulate uranium oxide particles with morphologies similar to those observed experimentally. We then leverage an image-to-image translation model to synthesize the simulated particles as if they are acquired with SEM. Through this process, we obtain pairs of particle images and their corresponding SEM representations, which corresponds to pairs of annotations and images. Unlike previous works, we leverage synthetic data for pretraining a CNN model prior, and finetune that model further with experimental data. We experimentally demonstrate that using synthetic data as incremental learning process benefits the overall performance compared to training a model on combined synthetic and experimental data.

36 MATERIALS SCIENCE

New Strong Gravitational Lenses from the DESI Legacy Imaging Surveys Data Release 9

We have conducted a search for strong gravitational lensing systems in the Dark Energy Spectroscopic Instrument (DESI) Legacy Imaging Surveys Data Release 9. This is the third paper in a series. These surveys together cover ~19,000 deg 2 visible from the Northern Hemisphere, reaching a z-band AB magnitude of ~22.5. We use a deep residual neural network, trained on a compilation of known lensing systems and high-grade candidates as well as nonlenses in the same footprint. After applying our trained neural network to the survey data, we visually inspect and rank images with probabilities above a threshold which has been chosen to balance precision and recall. We have found 1895 lens candidates, of which 1512 are identified for the first time. Combining the discoveries from this work with those from Papers I (335) and II (1210), we have discovered a total of 3057 new candidates in the Legacy Surveys.

79 ASTRONOMY AND ASTROPHYSICS

Measuring the Conditional Luminosity and Stellar Mass Functions of Galaxies by Combining the Dark Energy Spectroscopic Instrument Legacy Imaging Surveys Data Release 9, Survey Validation 3, and Year 1 Data

In this investigation, we leverage the combination of the Dark Energy Spectroscopic Instrument (DESI) Legacy Imaging Surveys Data Release 9, Survey Validation 3, and Year 1 data sets to estimate the conditional luminosity functions and conditional stellar mass functions (CLFs and CSMFs) of galaxies across various halo mass bins and redshift ranges. To support our analysis, we utilize a realistic DESI mock galaxy redshift survey (MGRS) generated from a high-resolution Jiutian simulation. An extended halo-based group finder is applied to both MGRS catalogs and DESI observation. By comparing the r- and z-band luminosity functions (LFs) and stellar mass functions (SMFs) derived using both photometric and spectroscopic data, we quantified the impact of photometric redshift (photo-z) errors on the galaxy LFs and SMFs, especially in the low-redshift bin at the low-luminosity/mass end. By conducting prior evaluations of the group finder using MGRS, we successfully obtain a set of CLF and CSMF measurements from observational data. We find that at low redshift, the faint-end slopes of CLFs and CSMFs below ~10 9 h –2 L ⊙ (or h –2 M ⊙ ) evince a compelling concordance with the subhalo mass functions. After correcting the cosmic variance effect of our local Universe following Chen et al., the faint-end slopes of the LFs/SMFs turn out to also be in good agreement with the slope of the halo mass function.

79 ASTRONOMY AND ASTROPHYSICS

Utah FORGE: Well 16B(78)-32 Drill Core Fracture Analysis Images and Data

This dataset contains drilling core data from well 16B(78)-32, including PDF documents with flattened core images annotated by feature type and core interval, as well as spreadsheets detailing feature morphologies by depth, planar feature measurements, and planar feature orientations rotated to in situ conditions. Core was recovered from three intervals, one per stimulation stage, in the crystalline rocks affected by the stimulation of well 16A(78)-32. Seven core runs were conducted, yielding 135.8 feet of recovered core. Features in the core were categorized into planar fractures, semi-planar fractures, unbroken mineralized fractures, rough fractures, curviplanar fractures, concave-convex surfaces, and planar compositional features such as mylonite or dike-like structures. Planar features were measured while the core was positioned horizontally, with the core axis aligned to a downhole azimuth of 42 degrees. Planar core measurements from stimulations 2 and 3 that could be confidently correlated with FMI data were rotated to in situ orientations. This was done by rotating the planes along vertical and horizontal axes to match the azimuth and inclination data recorded in the directional survey of well 16B(78)-32, as well as applying an axial rotation to resemble the fracture orientations observed in the FMI log at corresponding depths. Coherent sets of planar fracture measurements were made by aligning the core within each 3-foot section of the dissected core barrel, and between adjacent 3-foot sections within a core run by matching rock fabrics, saw cuts and/or tool marks. Where coherent fracture measurements could not be made within a core run, data sets are denoted by a subscript (i.e. 2-Ta and 2-Tb both come from tangent core run number 2).

15 GEOTHERMAL ENERGY

recon3d

SAND2025-00533O recon3d is a software tool that provides automated 3D reconstruction and meshing capabilities. It processes labeled 3D image data from various sources, starting from image stacks, and calculates 3D feature distributions like size, shape, and location. The software also has tools for downscaling rectilinear grid data and creating tetrahedral meshes directly from image data. recon3d can be used by novice users via the command line with a properly formatted configuration file. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Emery, John

Extraction of Vibration Data with Imaging

To date, the primary sensing technology used to measure the vibration response has been accelerometers and strain gages mounted directly to the structure and using either wired or, more recently, wireless telemetry. Cost issues with these sensors and the associated data acquisition systems typically limit the numbers that are deployed on in situ structures. Although there are a few structures with larger sensing counts that in some cases exceed over 1000 sensors, more typical numbers range from ten to one hundred sensors resulting in low spatial resolution when they are applied to physically large systems. When one considers that nuclear power plant structures usually have complex geometries, material properties, connectivity and boundary conditions, it is clear these current approaches to vibration measurements can only provide limited information about a system’s dynamics response characteristics. As an alternative, many non-contact measurement technologies have emerged, including point wise measurement methods such as Global Positioning System (GPS), microwave interferometry, and laser Doppler vibrometry (LDV), as well as simultaneous full-field measurement methods such as electronic speckle pattern interferometry, holography interferometry, and muon tomography, some of which can provide high spatial resolution measurements. Among these methods, digital video imaging techniques have emerged as a feasible solution for full-field vibration measurements that provide significantly more detailed dynamic response information because every pixel becomes a measurement point. Furthermore, recent advances in image processing and computer vision algorithms have been successfully used to process video data for experimental and operational modal analysis. Such full-field measurements have the potential to significantly improve many current structural assessment procedures including system identification (modal parameter estimation), structural health monitoring, load reconstruction, model validation, and model updating. Furthermore, more recent full-field imaging techniques can be accomplished with relatively low-cost, commercially-available off-the-shelf cameras. However, these measurement procedures have other limitations that must be considered such as the ability to only measure visibly accessible points on a structure and a more limited dynamic range and bandwidth than can be achieved with accelerometers or strain gages.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND

Correlative multimodal chemical imaging via machine learning

Machine learning approach can combine mass spectral imaging (MSI) techniques, one with low spatial resolution but intact molecular spectra and the other with nanometer spatial resolution but fragmented molecular signatures, to predict molecular MSI spectra with submicron spatial resolution. The machine learning approach can perform transformations on the spectral image data of the two MSI techniques to reduce dimensionality, and using a correlation technique, find relationships between the transformed spectral image data. The determined relationships can be used to generate MSI spectra of desired resolution.

Ovchinnikova, Olga S.

Mask-side Hyper-NA EUV imaging on the SHARP microscope

Hyper-NA, the prospective successor to high-numerical aperture (NA) extreme ultraviolet lithography (EUVL) could be inserted soon after 2030. Hyper-NA poses a number of challenges, including reduced depth of focus, amplified mask three-dimensional effects, and increased mask-side angular range. A Hyper-NA capable extreme ultraviolet (EUV) mask-imaging tool can address these challenges and accelerate research and development toward Hyper-NA. The Sharp High-Numerical Aperture Actinic Reticle Review Project (SHARP) EUV mask microscope is supporting mask-side high-NA imaging since 2015. Implementing mask-side Hyper-NA imaging in 2024 enables research and development toward the corresponding nodes of EUVL. Hyper-NA zoneplates at 0.75 4x/8x NA with a 6.7-deg chief ray angle and 0.85 4x/8x NA with a 7.4-deg chief ray angle are added to the SHARP microscope. Imaging at mask-side Hyper-NA is demonstrated. Imaging of 5-nm half-pitch (wafer scale) horizontal lines and spaces is demonstrated using dipole illumination. Imaging of 5-nm half-pitch (wafer scale) vertical lines and spaces is demonstrated using frequency-doubled imaging of 40-nm hp (mask scale) lines and spaces. Normalized image log slope (NILS) and modulation of Hyper-NA image data match closely to simulations for horizontal lines and spaces. A reduction in NILS of 0.3 or less is observed for vertical lines and spaces in the two-beam imaging regime. Through-focus image data are discussed, comparing different dipole sources and mask-side NAs. Mask-side Hyper-NA photomask imaging has been implemented and demonstrated on the SHARP microscope and is now available to users of the instrument.

Benk, Markus

Stochastic 3D reconstruction of cracked polycrystalline NMC particles using 2D SEM data

Li-ion battery performance is strongly influenced by the 3D microstructure of its cathode particles. Cracks within these particles develop during calendaring and cycling, reducing connectivity but increasing reactive surface, making their impact on battery performance complex. Understanding these contradictory effects requires a quantitative link between particle morphology and battery performance. However, informative 3D imaging techniques are time-consuming, costly and rarely available, such that analyses often have to rely on 2D image data. This paper presents a novel stereological approach for generating virtual 3D cathode particles exhibiting crack networks that are statistically equivalent to those observed in 2D sections of experimentally measured particles. Consequently, 2D image data suffices for deriving a full 3D characterization of cracked cathodes particles. Such virtually generated 3D particles could serve as geometry input for spatially resolved electro-chemo-mechanical simulations to enhance our understanding of structure-property relationships of cathodes in Li-ion batteries.

36 MATERIALS SCIENCE

The Gravity Collective: A Comprehensive Analysis of the Electromagnetic Search for the Binary Neutron Star Merger GW190425

We present an ultraviolet to infrared search for the electromagnetic (EM) counterpart to GW190425, the second ever binary neutron star merger discovered by the LIGO-Virgo-KAGRA Collaboration. GW190425 was more distant and had a larger localization area than GW170817, so we use a new tool, Teglon, to redistribute the GW190425 localization probability in the context of galaxy catalogs within the final localization volume. We derive a 90th percentile area of 6688 deg 2 , a ∼1.5× improvement relative to the LIGO/Virgo map, and show how Teglon provides an order-of-magnitude boost to the search efficiency of small (≤1 deg 2 ) field-of-view instruments. We combine our data with a large, publicly reported imaging data set, covering 9078.59 deg 2 of unique area and 48.13% of the LIGO/Virgo-assigned localization probability, to calculate the most comprehensive kilonova (KN), short gamma-ray burst (sGRB) afterglow, and model-independent constraints on the EM emission from a hypothetical counterpart to GW190425 to date under the assumption that no counterpart was found in these data. If the counterpart were similar to AT 2017gfo, there would be a 28.4% chance of it being detected in the combined data set. We are relatively insensitive to an on-axis sGRB, and rule out a generic transient with a similar peak luminosity and decline rate as AT 2017gfo to 30% confidence. Finally, across our new imaging and publicly reported data, we find 28 candidate optical counterparts that we cannot rule out as being associated with GW190425, finding that four such counterparts discovered within the localization volume and within 5 days of merger exhibit luminosities consistent with a KN.

79 ASTRONOMY AND ASTROPHYSICS

Physics and chemistry from parsimonious representations: image analysis via invariant variational autoencoders

Electron, optical, and scanning probe microscopy methods are generating ever increasing volume of image data containing information on atomic and mesoscale structures and functionalities. This necessitates the development of the machine learning methods for discovery of physical and chemical phenomena from the data, such as manifestations of symmetry breaking phenomena in electron and scanning tunneling microscopy images, or variability of the nanoparticles. Variational autoencoders (VAEs) are emerging as a powerful paradigm for the unsupervised data analysis, allowing to disentangle the factors of variability and discover optimal parsimonious representation. Here, we summarize recent developments in VAEs, covering the basic principles and intuition behind the VAEs. The invariant VAEs are introduced as an approach to accommodate scale and translation invariances present in imaging data and separate known factors of variations from the ones to be discovered. We further describe the opportunities enabled by the control over VAE architecture, including conditional, semi-supervised, and joint VAEs. Several case studies of VAE applications for toy models and experimental datasets in Scanning Transmission Electron Microscopy are discussed, emphasizing the deep connection between VAE and basic physical principles. Python codes and datasets discussed in this article are available at https://github.com/saimani5/VAE-tutorials and can be used by researchers as an application guide when applying these to their own datasets.

36 MATERIALS SCIENCE