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At least 955 records · Page 53

MO-F-CAMPUS-I-04: Characterization of Fan Beam Coded Aperture Coherent Scatter Spectral Imaging Methods for Differentiation of Normal and Neoplastic Breast Structures

Purpose: This study intends to characterize the spectral and spatial resolution limits of various fan beam geometries for differentiation of normal and neoplastic breast structures via coded aperture coherent scatter spectral imaging techniques. In previous studies, pencil beam raster scanning methods using coherent scatter computed tomography and selected volume tomography have yielded excellent results for tumor discrimination. However, these methods don’t readily conform to clinical constraints; primarily prolonged scan times and excessive dose to the patient. Here, we refine a fan beam coded aperture coherent scatter imaging system to characterize the tradeoffs between dose, scan time and image quality for breast tumor discrimination. Methods: An X-ray tube (125kVp, 400mAs) illuminated the sample with collimated fan beams of varying widths (3mm to 25mm). Scatter data was collected via two linear-array energy-sensitive detectors oriented parallel and perpendicular to the beam plane. An iterative reconstruction algorithm yields images of the sample’s spatial distribution and respective spectral data for each location. To model in-vivo tumor analysis, surgically resected breast tumor samples were used in conjunction with lard, which has a form factor comparable to adipose (fat). Results: Quantitative analysis with current setup geometry indicated optimal performance for beams up to 10mm wide, with wider beams producing poorer spatial resolution. Scan time for a fixed volume was reduced by a factor of 6 when scanned with a 10mm fan beam compared to a 1.5mm pencil beam. Conclusion: The study demonstrates the utility of fan beam coherent scatter spectral imaging for differentiation of normal and neoplastic breast tissues has successfully reduced dose and scan times whilst sufficiently preserving spectral and spatial resolution. Future work to alter the coded aperture and detector geometries could potentially allow the use of even wider fans, thereby making coded aperture coherent scatter imaging a clinically viable method for breast cancer detection. United States Department of Homeland Security; Duke University Medical Center - Department of Radiology; Carl E Ravin Advanced Imaging Laboratories; Duke University Medical Physics Graduate Program.

60 APPLIED LIFE SCIENCES↗

Vision 20/20: Simultaneous CT-MRI — Next chapter of multimodality imaging

Multimodality imaging systems such as positron emission tomography-computed tomography (PET-CT) and MRI-PET are widely available, but a simultaneous CT-MRI instrument has not been developed. Synergies between independent modalities, e.g., CT, MRI, and PET/SPECT can be realized with image registration, but such postprocessing suffers from registration errors that can be avoided with synchronized data acquisition. The clinical potential of simultaneous CT-MRI is significant, especially in cardiovascular and oncologic applications where studies of the vulnerable plaque, response to cancer therapy, and kinetic and dynamic mechanisms of targeted agents are limited by current imaging technologies. The rationale, feasibility, and realization of simultaneous CT-MRI are described in this perspective paper. The enabling technologies include interior tomography, unique gantry designs, open magnet and RF sequences, and source and detector adaptation. Based on the experience with PET-CT, PET-MRI, and MRI-LINAC instrumentation where hardware innovation and performance optimization were instrumental to construct commercial systems, the authors provide top-level concepts for simultaneous CT-MRI to meet clinical requirements and new challenges. Simultaneous CT-MRI fills a major gap of modality coupling and represents a key step toward the so-called “omnitomography” defined as the integration of all relevant imaging modalities for systems biology and precision medicine.

60 APPLIED LIFE SCIENCES↗

Hamiltonian engineering of spin-orbit–coupled fermions in a Wannier-Stark optical lattice clock

Engineering a Hamiltonian system with tunable interactions provides opportunities to optimize performance for quantum sensing and explore emerging phenomena of many-body systems. An optical lattice clock based on partially delocalized Wannier-Stark states in a gravity-tilted shallow lattice supports superior quantum coherence and adjustable interactions via spin-orbit coupling, thus presenting a powerful spin model realization. The relative strength of the on-site and off-site interactions can be tuned to achieve a zero density shift at a “magic” lattice depth. This mechanism, together with a large number of atoms, enables the demonstration of the most stable atomic clock while minimizing a key systematic uncertainty related to atomic density. Interactions can also be maximized by driving off-site Wannier-Stark transitions, realizing a ferromagnetic to paramagnetic dynamical phase transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Taming parallel I/O complexity with auto-tuning

We present an auto-tuning system for optimizing I/O performance of HDF5 applications and demonstrate its value across platforms, applications, and at scale. The system uses a genetic algorithm to search a large space of tunable parameters and to identify effective settings at all layers of the parallel I/O stack. The parameter settings are applied transparently by the auto-tuning system via dynamically intercepted HDF5 calls. To validate our auto-tuning system, we applied it to three I/O benchmarks (VPIC, VORPAL, and GCRM) that replicate the I/O activity of their respective applications. We tested the system with different weak-scaling configurations (128, 2048, and 4096 CPU cores) that generate 30 GB to 1 TB of data, and executed these configurations on diverse HPC platforms (Cray XE6, IBM BG/P, and Dell Cluster). In all cases, the auto-tuning framework identified tunable parameters that substantially improved write performance over default system settings. In conclusion, we consistently demonstrate I/O write speedups between 2x and 100x for test configurations.

97 MATHEMATICS AND COMPUTING↗

Validating the simulation of large-scale parallel applications using statistical characteristics

Simulation is a widely adopted method to analyze and predict the performance of large-scale parallel applications. Validating the hardware model is highly important for complex simulations with a large number of parameters. Common practice involves calculating the percent error between the projected and the real execution time of a benchmark program. However, in a high-dimensional parameter space, this coarse-grained approach often suffers from parameter insensitivity, which may not be known a priori. Moreover, the traditional approach cannot be applied to the validation of software models, such as application skeletons used in online simulations. In this work, we present a methodology and a toolset for validating both hardware and software models by quantitatively comparing fine-grained statistical characteristics obtained from execution traces. Although statistical information has been used in tasks like performance optimization, this is the first attempt to apply it to simulation validation. Lastly, our experimental results show that the proposed evaluation approach offers significant improvement in fidelity when compared to evaluation using total execution time, and the proposed metrics serve as reliable criteria that progress toward automating the simulation tuning process.

97 MATHEMATICS AND COMPUTING↗

Spherical Region Queries on Multicore Architectures

In this short paper, we report the performance of multiple thread-parallel algorithms for spherical region queries on multicore architectures motivated by a challenging data analytics application in materials science. Performances of two tree-based algorithms and a naive algorithm are compared to identify the length scales at which these approaches perform optimally. The optimal algorithm is then used to scale the driving materials science application, which is shown to deliver over 17X speedup using 32 OpenMP threads on data sets containing many millions of atoms.

Lu, Hao↗

Measurements and analytics of wide-area file transfers over dedicated connections

Distributed scientific and big-data computations are becoming increasingly dependent on access to remote files. Wide-area file transfers are supported by two basic schemes: (i) application-level tools, such as GridFTP, that provide transport services between file systems housed at geographically separated sites, and (ii) file systems mounted over wide-area networks, using mechanisms such as LNet routers that make them transparently available. In both cases, the file transfer performance critically depends on the configuration consisting of host, file, IO, and disk subsystems, which are complex by themselves, as well as on their complex compositions implemented using buffers and IO-network data transitions. We present extensive file transfer rate measurements collected over dedicated 10 Gbps connections with 0-366 ms round-trip times, using GridFTP and XDD file transfer tools, and Lustre file system extended over wide-area networks using LNet routers. Our test configurations are composed of: three types of host systems; XFS, Lustre, and ext3 file systems; and Ethernet and SONET wide-area connections. We present analytics based on the convexity-concavity of throughput profiles which provide insights into throughput and its superior or inferior trend compared to linear interpolations. We propose the utilization-concavity coefficient, a scalar metric that characterizes the overall performance of any file transfer method consisting of specific configuration and scheme. Our results enable performance optimizations by highlighting the significant roles of (i) buffer sizes and parallelism in GridFTP and XDD, and (ii) buffer utilization and credit mechanism in LNet routers.

Rao, Nageswara↗

Quantum Noise Mitigation: Introducing the Robust Quantum Circuit Scheduler for Enhanced Fidelity and Throughput

Undoubtedly, quantum computing offers valuable acceleration for solving intricate problems. One of the primary hurdles lies in executing large-scale quantum applications on backend machines. Qubit noise, among other factors, dramatically influences the execution process. Implementing effective scheduling techniques for quantum circuits is crucial for practical quantum computing and preventing excessive waiting times. The quantum realm is distinct from classical computing in terms of optimization, performance, utilization, and waiting periods. Consequently, the parameters and components of quantum circuit scheduling diverge from those of classical computing. This paper presents Quantum Noise Mitigation: Introducing the Robust Quantum Circuit Scheduler for Enhanced Fidelity and Throughput, a straightforward yet effective scheduling framework and policy that enhances noise resilience, throughput, and the fidelity of quantum circuits. Drawing inspiration from classical methods, our scheduling approach incorporates additional constraints tailored for quantum logic. The outcome demonstrates a substantial improvement in fidelity and resource management, which is vital for real-world quantum applications.

Baheri, Betis↗

Estimation of Transport and Kinetic Parameters of Vanadium Redox Batteries Using Static Cells

Mathematical models of Redox Flow Batteries (RFBs) can be used to analyze cell performance, optimize battery operation, and control the energy storage system efficiently. Among many other models, physics-based electrochemical models are capable of predicting internal states of the battery, such as temperature, state-of-charge, and state-of-health. In the models, estimating parameters is an important step that can study, analyze, and validate the models using experimental data. A common practice is to determine these parameters either through conducting experiments or based on the information available in the literature. However, it is not easy to investigate all proper parameters for the models through this way, and there are occasions when important information, such as diffusion coefficients and rate constants of ions, has not been studied. Also, the parameters needed for modeling charge-discharge are not always available. In this paper, an efficient way to estimate parameters of physics-based redox battery models will be proposed. Furthermore, this paper also demonstrates that the proposed approach can study and analyze aspects of capacity loss/fade, kinetics, and transport phenomena of the RFB system.

25 ENERGY STORAGE↗

Finite Element Modeling of Electrochemical Polishing of Niobium in Hydrofluoric-Sulfuric Acid Electrolyte

Niobium (Nb) used in superconducting radio-frequency cavities requires smooth surface to achieve optimal performance. In this work, a finite element model that coupled electrochemistry, heat transfer, and fluid dynamics was developed to investigate the electrochemical polishing mechanisms of Nb, using experimentally measured polarization results of coupon samples as validations. The current and potential distribution, oxide growth kinetics of Nb in a complex cavity geometry was investigated as a function of temperature and coolant flow. A low temperature coolant with intermediate flow rate was found to reduce surface current and ensure oxide uniformity. These results could shed light on the design of future particle accelerators.

SRF accelerator cavity↗

Ultrasonic Nondestructive Diagnosis of Cylindrical Batteries Under Various Charging Rates

Lithium-ion batteries have been used increasingly as electrochemical energy storage systems for electronic devices and vehicles. It is important to accurately estimate the state of charge (SoC) of a battery management system to control the battery operation to optimize performance, lifetime, and safety. The current work experimentally leverages ultrasonic diagnostic technology to investigate the SoC of lithium-ion batteries during the charge/discharge processes. A cylindrical-type nickel-cobalt-aluminum (NCA)–based 2500mAh 20A (INR18650-25R) battery was used for ultrasonic measurements with various charge/discharge rates of C/10.4, C/5.2, and C/1.3 at constant currents. The ultrasonic signals were analyzed for extracting wave velocity and wave attenuation. For all the testing rates, wave velocity increased in the charge process and decreased in the discharge process. Further, velocity profiles corresponding to lower rates of C/10.4 and C/5.2 exhibited primary peaks at the maximum SoCs, whereas the absolute wave velocity of C/1.3 rate showed primary peaks that occurred slightly after the SoC peak, indicating a delayed maximum Young's modulus. The wave attenuation computed for the C/10.4 rate had local maxima in the charge and discharge processes and depicted negative correlations with SoC, ranging from 0% to 18%, and positive correlations with SoC from 18% to 85%. On the other hand, the wave attenuation curves of the C/1.3 rate showed no local peaks and had negative correlations with SoC, ranging from 0% to 28%, and positive correlations with SoC ranging from 28% to 53%.

25 ENERGY STORAGE↗

Vapor-Deposited Glasses with Long-Range Columnar Liquid Crystalline Order

Anisotropic molecular packing, particularly in highly ordered liquid crystalline arrangements, has the potential for optimizing performance in organic electronic and optoelectronic applications. Here we show that physical vapor deposition can be used to prepare highly organized glassy solids of discotic liquid crystalline systems. Using grazing incidence X-ray scattering, atomic force microscopy, and UV–vis spectroscopy, we compare three systems: a rectangular columnar liquid crystal, a hexagonal columnar liquid crystal, and a nonmesogen. The packing motifs accessible by vapor deposition are highly organized for the liquid crystalline systems with columns propagating either in plane or out-of-plane depending upon the substrate temperature during deposition. The structures formed at a given substrate temperature can be understood as resulting from partial equilibration toward the structure of the equilibrium liquid crystal surface during the deposition process.

Gujral, Ankit↗

Profugus

A set of radiation transport mini-applications used for performance optimization on HPC systems. http://ornl-cees.github.io/Profugus

Davidson, Greg↗

Devastator Parallel Discrete Event Simulation Runtime (Devastator) v1.0

The Devastator runtime is a modern C++ implementation of optimistic parallel discrete event simulation methods. Devastator allows simulation application code to productively specify their component and event functionality with C++14 constructs. It utilizes GASNet-EX for distributed memory communication and includes parallel performance optimizations such as light-weight thread message queues and asynchronous GVT. Furthermore, it supports efficient event broadcasts and pause-rewind-resume functionality to support periodic load balancing and outer loop optimization algorithms.

Chan, Cy↗

OpenARC

OpenARC is an open-sourced, very High-Level Intermediate Representation (HLIR)-based, extensible compiler framework, where various performance optimizations, traceability mechanisms, fault tolerance techniques, etc., can be built for better debuggability/performance/resilience on the complex accelerator computing. OpenARC is the first OpenACC compiler supporting Altera FPGAs, in addition to NVIDIA GPUs, AMD GPUs, and Intel Xeon Phis.

Lee, Seyong [Oak Ridge National Laboratory (ORNL),↗

Vedizar Fingerprinter

SAND2025-03289O Vedizar Fingerprinter simplifies the process of identifying devices on a network by analyzing traffic data. It uses a unique library to recognize different devices, making it easier for users to understand what is happening on their networks. This software is ideal for IT and operational technology environments, helping organizations monitor their networks effectively. By saving results in a database, it allows for easy access and review of device information. Users can enhance their network security and optimize performance without needing specialized hardware or technical expertise. 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.

Jacobellis, John [Sandia National Lab. (SNL-CA), L↗

SpectraCodec: A Hilbert curve-based method for encoding metadata in mass spectra for machine learning applications (SpectraCodec) v1

Machine learning approaches to mass spectrometry (MS) data analysis require structured metadata for optimal performance. However, current MS file formats necessitate external metadata sources, creating integration challenges that impede analytical workflows. Here, we present a novel approach for encoding metadata directly within mzML files using one-hot encoding of ASCII characters mapped via Hilbert space-filling curves. This strategy embeds metadata in the first spectrum's m/z-intensity space, ensuring persistence with the primary data, eliminating the need for external metadata files, and maintaining compatibility with existing MS software. We demonstrate that the Hilbert curve mapping efficiently utilizes the two-dimensional spectral space while maintaining robust data recovery. This method offers a practical solution for machine learning applications in mass spectrometry by ensuring metadata and spectral data remain unified through all stages of analysis.

Bowen, Benjamin [Lawrence Berkeley National Labora↗

Pumpchart v1.0.0

Pumpchart is a graphical tool that plots the state of a hydraulic system overlayed on a pump curve and system curve. It assists with determining the optimal performance of the system. One advantage of Pumpchart over other softwares is that it is integrated with the Grafana dashboarding software, so that data can be plotted in real-time for instant operator feedback. It is intended to be used at NERSC to monitor the performance of our cooling water pumps.

Venture, Nicholas [Lawrence Berkeley National Labo↗