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At least 19 records

Segmental Refinement: A Multigrid Technique for Data Locality

In this paper, we investigate a domain decomposed multigrid technique, termed segmental refinement, for solving general nonlinear elliptic boundary value problems. We extend the method first proposed in 1994 by analytically and experimentally investigating its complexity. We confirm that communication of traditional parallel multigrid is eliminated on fine grids, with modest amounts of extra work and storage, while maintaining the asymptotic exactness of full multigrid. We observe an accuracy dependence on the segmental refinement subdomain size, which was not considered in the original analysis. Finally, we present a communication complexity analysis that quantifies the communication costs ameliorated by segmental refinement and report performance results with up to 64K cores on a Cray XC30.

97 MATHEMATICS AND COMPUTING↗

A Refined Global Segmentation of X-Ray CT Images for Multi-phase Geomaterials

X-ray computed tomography images of three-phase silica sand and glass bead specimens are analyzed and used to evaluate the segmentation performances of Otsu-, and recursion-based multilevel algorithms. A global image segmentation technique that combines iterative and recursive algorithms, namely a refined statistics-based global segmentation is proposed for segmenting multi-phase granular geomaterials. The performance of the proposed algorithm is tested by segmenting partially saturated silica sand and glass bead specimens. For the tested silica sand specimen, the refined statistics method estimated void ratio and degree of saturation were 0.67 and 39.35%. The estimates for the glass bead specimen yielded 0.64 and 43.49%, respectively. The true void ratio (0.66) and degree of saturation (37.71%) were determined with a user-controlled Image processing software package—Image-Pro. It was found that the proposed method estimated the void ratio and the degree of saturation with 1.52 and 4.35 percent errors for the silica sand and with 15.63 and 0.34 percent errors for the glass bead, respectively. The computational time of the proposed method was found to be shorter than other methods considered. Overall, it is concluded that the proposed technique performed better in segmenting three-phase granular geomaterials.

42 ENGINEERING↗

Uncertainty-refined image segmentation under domain shift

A method for digital image segmentation is provided. The method comprises training a neural network for image segmentation with a labeled training dataset from a first domain, wherein a subset of nodes in the neural net are dropped out during training. The neural network receives image data from a second, different domain. A vector of N values that sum to 1 is calculated for each image element, wherein each value represents an image segmentation class. A label is assigned to each image element according to the class with the highest value in the vector. Multiple inferences are performed with active dropout layers for each image element, and an uncertainty value is generated for each image element. The label of any image element with an uncertainty value above a predefined threshold is replaced with a new label corresponding to the class with the next highest value.

Martinez, Carianne↗

Uncertainty-refined image segmentation under domain shift

Digital image segmentation is provided. The method comprises training a neural network for image segmentation with a labeled training dataset from a first domain, wherein a subset of nodes in the neural net are dropped out during training. The neural network receives image data from a second, different domain. A vector of N values that sum to 1 is calculated for each image element, wherein each value represents an image segmentation class. A label is assigned to each image element according to the class with the highest value in the vector. Multiple inferences are performed with active dropout layers for each image element, and an uncertainty value is generated for each image element. Uncertainty is resolved according to expected characteristics. The label of any image element with an uncertainty above a threshold is replaced with a new label corresponding to a segmentation class based on domain knowledge.

Martinez, Carianne↗

Naturally occurring 32 Si and low-background silicon dark matter detectors

The naturally occurring radioisotope Si-32 represents a potentially limiting background in future dark matter direct-detection experiments. We investigate sources of Si-32 and the vectors by which it comes to reside in silicon crystals used for fabrication of radiation detectors. We infer that the Si-32 concentration in commercial single-crystal silicon is likely variable, dependent upon the specific geologic and hydrologic history of the source (or sources) of silicon “ore” and the details of the silicon-refinement process. The silicon production industry is large, highly segmented by refining step, and multifaceted in terms of final product type, from which we conclude that production of Si-32-mitigated crystals requires both targeted silicon material selection and a dedicated refinement-through-crystal-production process. We review options for source material selection, including quartz from an underground source and silicon isotopically reduced in Si-32. To quantitatively evaluate the Si-32 content in silicon metal and precursor materials, we propose analytic methods employing chemical processing and radiometric measurements. Ultimately, it appears feasible to produce silicon-based detectors with low levels of Si-32, though significant assay method development is required to validate this claim and thereby enable a quality assurance program during an actual controlled silicon-detector production cycle.

assay↗

Volume of Lytic Vertebral Body Metastatic Disease Quantified Using Computed Tomography–Based Image Segmentation Predicts Fracture Risk After Spine Stereotactic Body Radiation Therapy

Purpose: To determine a threshold of vertebral body (VB) osteolytic or osteoblastic tumor involvement that would predict vertebral compression fracture (VCF) risk after stereotactic body radiation therapy (SBRT), using volumetric image-segmentation software. Methods and Materials: A computational semiautomated skeletal metastasis segmentation process refined in our laboratory was applied to the pretreatment planning CT scan of 100 vertebral segments in 55 patients treated with spine SBRT. Each VB was segmented and the percentage of lytic and/or blastic disease by volume determined. Results: The cumulative incidence of VCF at 3 and 12 months was 14.1% and 17.3%, respectively. The median follow-up was 7.3 months (range, 0.6-67.6 months). In all, 56% of segments were determined lytic, 23% blastic, and 21% mixed, according to clinical radiologic determination. Within these 3 clinical cohorts, the segmentation-determined mean percentages of lytic and blastic tumor were 8.9% and 6.0%, 0.2% and 26.9%, and 3.4% and 15.8% by volume, respectively. On the basis of the entire cohort (n=100), a significant association was observed for the osteolytic percentage measures and the occurrence of VCF (P<.001) but not for the osteoblastic measures. The most significant lytic disease threshold was observed at ≥11.6% (odds ratio 37.4, 95% confidence interval 9.4-148.9). On multivariable analysis, ≥11.6% lytic disease (P<.001), baseline VCF (P<.001), and SBRT with ≥20 Gy per fraction (P=.014) were predictive. Conclusions: Pretreatment lytic VB disease volumetric measures, independent of the blastic component, predict for SBRT-induced VCF. Larger-scale trials evaluating our software are planned to validate the results.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Automated segmentation of soft X-ray tomography: Native cellular structure with submicron resolution at high-throughput for whole-cell quantitative imaging in yeast

Soft X-ray tomography (SXT) is an invaluable tool for quantitatively analyzing cellular structures at suboptical isotropic resolution. However, it has traditionally depended on manual segmentation, limiting its scalability for large datasets. Here, we leverage a deep learning-based autosegmentation pipeline to segment and label cellular structures in hundreds of cells across three Saccharomyces cerevisiae strains. This task-based pipeline uses manual iterative refinement to improve segmentation accuracy for key structures, including the cell body, nucleus, vacuole, and lipid droplets, enabling high-throughput and precise phenotypic analysis. Using this approach, we quantitatively compared the three-dimensional (3D) whole-cell morphometric characteristics of wild-type, VPH1-GFP, and vac14 strains, uncovering detailed strain-specific cell and organelle size and shape variations. We show the utility of SXT data for precise 3D curvature analysis of entire organelles and cells and detection of fine morphological features using surface meshes. Our approach facilitates comparative analyses with high spatial precision and statistical throughput, uncovering subtle morphological features at the single-cell and population level. This workflow significantly enhances our ability to characterize cell anatomy and supports scalable studies on the mesoscale, with applications in investigating cellular architecture, organelle biology, and genetic research across diverse biological contexts.

Chen, Jianhua [Lawrence Berkeley National Laborato↗

Unsupervised learning-enabled pulsed infrared thermographic microscopy of subsurface defects in stainless steel

Metallic structures produced with laser powder bed fusion (LPBF) additive manufacturing method (AM) frequently contain microscopic porosity defects, with typical approximate size distribution from one to 100 microns. Presence of such defects could lead to premature failure of the structure. In principle, structural integrity assessment of LPBF metals can be accomplished with nondestructive evaluation (NDE). Pulsed infrared thermography (PIT) is a non-contact, one-sided NDE method that allows for imaging of internal defects in arbitrary size and shape metallic structures using heat transfer. PIT imaging is performed using compact instrumentation consisting of a flash lamp for deposition of a heat pulse, and a fast frame infrared (IR) camera for measuring surface temperature transients. However, limitations of imaging resolution with PIT include blurring due to heat diffusion, sensitivity limit of the IR camera. We demonstrate enhancement of PIT imaging capability with unsupervised learning (UL), which enables PIT microscopy of subsurface defects in high strength corrosion resistant stainless steel 316 alloy. PIT images were processed with UL spatial–temporal separation-based clustering segmentation (STSCS) algorithm, refined by morphology image processing methods to enhance visibility of defects. The STSCS algorithm starts with wavelet decomposition to spatially de-noise thermograms, followed by UL principal component analysis (PCA), fine-tuning optimization, and neural learning-based independent component analysis (ICA) algorithms to temporally compress de-noised thermograms. The compressed thermograms were further processed with UL-based graph thresholding K-means clustering algorithm for defects segmentation. The STSCS algorithm also includes online learning feature for efficient re-training of the model with new data. For this study, metallic specimens with calibrated microscopic flat bottom hole defects, with diameters in the range from 203 to 76 µm, were produced using electro discharge machining (EDM) drilling. While the raw thermograms do not show any material defects, using STSCS algorithm to process PIT images reveals defects as small as 101 µm in diameter. To the best of our knowledge, this is the smallest reported size of a sub-surface defect in a metal imaged with PIT, which demonstrates the PIT capability of detecting defects in the size range relevant to quality control requirements of LPBF-printed high-strength metals.

36 MATERIALS SCIENCE↗

Point Cloud Based Approach to Stem Width Extraction of Sorghum

A revolution in the field of genomics has produced vast amounts of data and furthered our understanding of the genotypephenotype map, but is currently constrained by manually intensive or limited phenotype data collection. We propose an algorithm to estimate stem width, a key characteristic used for biomass potential evaluation, from 3D point cloud data collected by a robot equipped with a depth sensor in a single pass in a standard field. The algorithm applies a two step alignment to register point clouds in different frames, a Frangi filter to identify stemlike objects in the point cloud and an orientation based filter to segment out and refine individual stems for width estimation. Individually, detected stems which are split due to occlusions are merged and then registered with previously found stems in previous camera frames in order to track temporally. We then refine the estimates to produce an accurate histogram of width estimates per plot. Since the plants in each plot are genetically identical, distributions of the stem width per plot can be useful in identifying genetically superior sorghum for biofuels.

09 BIOMASS FUELS↗

Long-Duration High-Resolution Large-Eddy Simulations of Hurricane Laura (2020) for Infrastructure Design

This dataset provides long-duration large-eddy simulations (LES) of Hurricane Laura (2020), capturing the turbulent boundary-layer wind field during the storm's passage at horizontal grid spacings of 55.55 m and 10 m. Hurricane Laura made landfall as a Category 4 storm in southwestern Louisiana at 06:00 UTC on 27 August 2020, producing widespread damage to coastal infrastructure. The simulations characterize the spatial and temporal variability of the turbulent wind at heights spanning the lowest 300 m of the boundary layer, throughout the approach and passage of the storm's eyewall over a fixed location. To resolve the spatial heterogeneity of wind and turbulence conditions across the storm, seven independent refined LES runs are performed at radial locations spanning the storm relative to its direction of motion. The refinement positions are defined on a normalized radial coordinate r ̂=r/R, where R≈21 km is Laura's radius of maximum wind, and lie between r ̂=-1.5 and r ̂=+1.5 in ∆r ̂=0.5 increments along a line perpendicular to the storm's track at the midpoint of the simulation. Negative r ̂ corresponds to locations south-southwest of the storm center and positive r ̂ to locations north-northeast. The dataset is segmented into seven radial refinement groups.

17 WIND ENERGY↗

Detector alignment for X-ray crystallography using Millepede-II

I describe a method for accurately refining the geometrical parameters of segmented X-ray area detectors on the basis of serial crystallography data, using 'Millepede' – an algorithm created for a very similar problem in high-energy physics. The Millepede method for serial crystallography builds on the approach of Brewster et al. [Acta Cryst. (2018), D74, 877–894], in which the detector parameters are refined simultaneously with the parameters for each individual crystal. This accounts for the mutual dependency between the parameters and thereby avoids the bias and slow convergence problems that have afflicted older approaches in which the deviations between observed and calculated Bragg peak positions were taken directly as the updates for the detector panel positions. The Millepede method uses the special structure of the least-squares normal equations to reduce them to a much smaller form that can be solved very quickly, even compared with the sparse matrix methods used previously. This makes it practical to refine the detector geometry frequently and thereby maintain accurate calibration without specialized alignment campaigns. Tilts of detector panels out of the plane can be reliably refined, as can the overall distance of the detector in the beam direction. With a simulated test case, the new method produced panel shifts within 7% of the correct values with only one iteration, and produced almost exactly correct shifts after a second iteration. A simulated out-of-plane panel rotation was correctly determined to within 0.001°. Applied to experimental data from an X-ray free-electron laser, the method increased the indexable fraction of frames from 30% to 91% in a single iteration, and to 96% after two further iterations. Computing the geometry updates on the basis of 2060 crystals took only 0.819 s on desktop computing hardware, including the time taken to read the required data from disk. The scaling was found to be very close to linear for up to 100 980 sets of crystal parameters, which took only 78.2 s to process under the same conditions. The method has been applied as part of a real-time feedback system at a synchrotron radiation beamline, in which an out-of-plane detector tilt of 0.04° was detected and corrected. Possible further applications are also described here.

Millepede-II↗

NanoPSD: A software for automatic detection of Nano-Particle Shape Distribution in electron microscopy images

Accurate quantification of the size and morphology of nanoparticles from electron microscopy (EM) images is essential to understand growth mechanisms, surface reactivity, and functional behavior in nanoscale materials. Manual analysis remains slow, subjective, and difficult to reproduce in large datasets. We introduce NanoPSD (Nano-Particle Shape Distribution), an open-source and fully automated framework for quantitative particle detection and morphology analysis from EM images. NanoPSD integrates adaptive contrast enhancement, polarity-agnostic scale-bar detection, Optical Character Recognition (OCR)-based calibration, and classical segmentation via Otsu thresholding with morphological refinement. Particle contours are used to extract geometric descriptors, including equivalent circular diameter, aspect ratio, circularity, and solidity, enabling automated classification into spherical, rod-like, and aggregate morphologies. The framework supports both single-image and batch processing, generating publication-quality visualizations, LaTeX-ready tables, and structured comma-separated values (CSV) datasets. As a demonstration, we applied NanoPSD to plasma-synthesized nanoparticle samples diagnosed via transmission electron microscopy (TEM). The code produced statistically robust size and morphology distributions spanning a few to tens of nanometers with minimal user supervision. The pipeline demonstrates high reproducibility and scalability, processing large image collections with consistent calibration and output formatting. Its modular design enables seamless integration of future deep-learning-based segmentation models, providing a pathway toward intelligent, data-driven electron microscopy analysis.

36 MATERIALS SCIENCE↗

The grain refinement mechanisms of various phases in shot-peened Nickel-Aluminum bronze (NAB) alloy

Highlights: • There exist two grain refinement mechanisms at the same time in the α phase. • The refinement of β' phase is attributed to the formation of dense and ordered nano twins. • The brittle strip-shape κ{sub iii} phases are fragmented after large deformation. • The κ{sub iv} and κ{sub ii} phases exhibit the twinning and dislocation deformation modes, separately. • The microhardness increases significantly owing to work hardening effect and grain refinement. - Abstract: In this study, coarse-grained Nickel-Aluminum bronze (NAB) alloy is subjected to shot-peening (SP) treatment, and the grain refinement mechanisms of various phases in shot-peened NAB alloy are investigated separately. The results show that severe deformation layers are produced on the surface. Meanwhile, refined grains with the average size below 100 nm are induced through SP treatment indicated by the results of X-ray diffraction (XRD) patterns. Various phases in NAB alloy including α, β' and three intermetallic phases (κ{sub ii}, κ{sub iii} and κ{sub iv}) display different grain refinement mechanisms. The grain refinement in the α phase involves dislocation segmentation in the precipitation-free zone and the twinning intersection in the precipitation zone. The formation of nanotwins by emitting partial dislocations at the grain boundary is found to be responsible for the grain refinement in the β' phase. As for the κ phases, the strip-shaped κ{sub iii} phases are fragmented after severe deformation, and the κ{sub iv} and κ{sub ii} phases exhibit the twinning and dislocation deformation modes, respectively. Also, the microhardness is significantly enhanced after SP treatment, which is mainly attributed to the work hardening effect and grain refinement.

36 MATERIALS SCIENCE↗

PRIMA-X - Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing

The PRIMA-X (Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing) project is the successor of the DOE PRIMA (Performance Refactoring of Instrumentation, Measurement, and Analysis Technologies for Petascale Computing) project, which addressed the challenge of creating a core measurement infrastructure that would serve as a common platform for both integrating leading parallel performance systems (notably TAU and Scalasca) and developing next-generation scalable performance tools. The PRIMA-X project shifts the focus away from refactorization of robust performance tools towards a re-targeting of the parallel performance measurement and analysis architecture for extreme scales. The massive concurrency, asynchronous execution dynamics, hardware heterogeneity, and multi-objective prerequisites (performance, power, resilience) that identify exascale systems introduce fundamental constraints on the ability to carry forward existing performance methodologies. In particular, there must be a deemphasis of per-thread observation techniques to significantly reduce the otherwise unsustainable flood of redundant performance data. Instead, it will be necessary to assimilate multi-level resource observations into macroscopic performance views, from which resilient performance metrics can be attributed to the computational features of the application. This requires a scalable framework for node-level and system-wide monitoring and runtime analyses of dynamic performance information. Also, the interest in optimizing parallelism parameters with respect to performance and energy drives the integration of tool capabilities in the exascale environment further. Initially, PRIMA-X was a collaborative project between the University of Oregon (lead institution) and the German Research School for Simulation Sciences (GRS). Because Prof. Wolf, the PI at GRS, accepted a position as full professor at Technische Universitaet Darmstadt (TU Darmstadt) starting February 1st, 2015, the work of GRS was continued at TU Darmstadt. This report covers the work at TU Darmstadt after the transition. The first main accomplishment of TU Darmstadt is the development of different techniques to aggregate performance data on the level of threads. TU Darmstadt evaluated different schemes designed at GRS during the first phase of this project and integrated them into Score-P, a widely used performance measurement framework for HPC applications. The second main accomplishment is a substantial increase of Score-P’s scalability, achieved by improving its internal representation of the underlying system. Third, we extended our performance-modeling tool Extra-P to automatically create models with more than one input parameter (e.g., process count and input size), which was previously impossible. These models allow the performance behavior of an application to be extrapolated to larger machines. Specific applications of the new multi-parameter capability realized in this project include modeling the isoefficiency function of task-based applications and a novel co-design methodology. Further extensions of Extra-P comprise online modeling functionality, automatic refinement of the model search space, and segmented performance modeling. Further contributions include new locality metrics for both shared- and distributed-memory applications, a new way of measuring the impact of inter-application inference on the execution time of an application, and finally an automatic method that selects appropriate OpenMP constructs for the parallelization of sequential code and classifies the affected variables based on their sharing semantics.

97 MATHEMATICS AND COMPUTING↗