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At least 1,099 records · Page 61

Optimizing the Accelerated Recursive Doubling Algorithm for Block Tridiagonal Systems of Equations

The need to solve block tridiagonal systems with hundreds or thousands of right-hand sides for the same block tridiagonal matrix is common in a variety of disciplines. To meet this need, the Accelerated Recursive Doubling Algorithm was developed. After a right-hand side independent phase, the algorithm allows for the quick, online calculation of solutions for different right-hand sides. In this work, we present methods to optimize the Accelerated Recursive Doubling Algorithm in memory usage and computation time in a hybrid parallelization model. The right-hand side independent phase of the naïve implementation takes ≥ 11/3 the amount of memory required to store the tridiagonal matrix, while our implementation reduces the fraction to ≈ 5/3 . The right-hand side dependent phase of the naïve implementation takes ≥ 6 times the amount of memory required to store the right-hand side, while our implementation reduces the fraction to ≈ 3. The computation time for the independent phase is reduced to ≈ 2/3 times that of the naïve implementation, while the computation time for the dependent phase is reduced to ≈ 5/9 . With increasing numbers of shared-memory threads q on every distributed processing element, we have O(q) theoretical speedup.

97 MATHEMATICS AND COMPUTING↗

SGEMP Algorithm Development and Demonstration for ICEPIC

Algorithms designed to facilitate calculation of gas-modified System-Generated Electromagnetic Pulse (SGEMP) phenomena have been developed for use in ICEPIC. Improvements and extensions of these and related models are considered for helping them be more widely applicable for SGEMP modeling. Confluent Sciences has developed a Buneman-Villasenor unit test tool for assessing particle merge algorithms and has applied that to several candidate algorithms. Statistical analysis of Maxwellian and near-Maxwellian velocity distribution functions has been used to understand limits and tradeoffs of particle merging. Collisional phenomena and plasma models that relieve the burden of a fully kinetic approach have also been developed and assessed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Minimum Resolution Requirements for Gamma Identification Algorithms

Each year there are millions of dollars spent on the research and production of high-resolution detectors. This research indicates that the pursuit of higher resolution detectors is not always necessary. The terminal resolution of a NaI detector, or highest detector resolution, at which identification algorithms fail to identify highly enriched uranium (HEU) was evaluated using GADRAS, Genie, and GammaVision. GADRAS employs a template matching algorithm, while Genie and GammaVision utilize a mathematical approach for peak search and identification. The NaI spectra utilized for evaluation were generated using the GADRAS Inject tab and source modeling functions. Each spectrum included terrestrial and cosmic background from Dallas, TX. The resolutions for each spectrum were increased from a default 8.92% to a point where each algorithm would fail to identify 235 U from a HEU source. Six different source configurations were used in this research: bare HEU, 50% shielded HEU, 90% shielded HEU, bare HEU with an interference source of 99 mTc, bare HEU with 99 mTc both shielded 50%, and bare HEU with 99 mTc both shielded 90%. T

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Scalable/Secure Cooperative Algorithms and Framework for Extremely-high Penetration Solar Integration (SolarExPert) (Final Technical Report)

This SolarExPert project has developed a Sustainable Grid Platform (SGP) with scalable architecture of distributed control and optimization. The SGP consists of the following major functions: 1) an advanced grid architecture with hierarchical and distributed communication and control, combined with the OpenFMB standard and implemented on the Multi-Agent OpenDSS (MA-OpenDSS) platform; 2) an online distributed stochastic optimal power flow; 3) an online distributed system state estimation algorithm; 4) the distributed Volt/VAR optimization and frequency control algorithms; 5) the distributed distribution system restoration strategy. The developed SGP together with advanced functions are tested in 1 million (1M)-node distribution system on the MA-OpenDSS platform. Furthermore, the models and algorithms are tested in 100,000-node system HiL simulation, and also in P-HiL implementation with 100 physical devices. The developed functions haven been validated and tested on the selected actual distribution feeder with the data collected from the field of Maui Meadows in Hawaii. The distributed PV hosting capacities with cooperative Volt/VAR and Volt/VAR/Watt control are estimated and compared to provide recommendations for customers and the utility company.

14 SOLAR ENERGY↗

Gamma Spectroscopy Detector Candidates and Radioisotope Identification Algorithms for Use in National Security Applications

In 2006, the United States Congress mandated for the Department of Homeland Security (DHS) to screen all cargo containers to protect against terrorist acts and ensure the safety and security of the nation. Containers are screened by gamma and neutron detectors to ensure threat material is not smuggled into the country. However, because commerce is radioactive, detecting the presence of radioactive materials is not sufficient in ensuring the safety and security of the nation. Radioactive materials must also be identified in real time, thus distinguishing threat sources (Uranium-235 and Plutonium-230) from non-threat sources (kitty litter, pot ash, medical isotopes). Screening cargo containers can be considered a two-step process (1) alerting to the presence of radioactive material when gamma counts exceed a threshold setting, and (2) once alerted, identifying the type of radioactive material, which is done by collecting a gamma spectra and analyzing it with an analysis tool/algorithm. For this reason, it is important to evaluate not only emerging technology in neutron and gamma detection, but also investigate new advances in algorithm development for radioisotope identification (RIID). New candidates in detection and on-board algorithm analysis might offer opportunities to make the scanning, detection, and identification process more efficient while still ensuring the health and safety of the public. This research will investigate emerging technology in radiation detection focused on gamma spectroscopy capabilities and RIID algorithms for DHS applications.

61 RADIATION PROTECTION AND DOSIMETRY↗

Sketching Algorithms in Distributed Systems

In this position paper, we discuss exciting recent advancements in sketching algorithms applied to distributed systems. That is, we look at randomized algorithms that simultaneously reduce the data dimensionality, offer potential privacy benefits, while maintaining verifiably high levels of algorithm accuracy and performance in multi-node computational setups. We look at next steps and discuss the applicability to real systems.

97 MATHEMATICS AND COMPUTING↗

An Infinite Domain 3D Poisson Solver Based on the Barnes-Hut Algorithm

We present a domain decomposition method for the solution of the 3D Poisson equation with infinite domain boundary conditions. The method is based on an application of the Barnes-Hut tree particle scheme adapted to gridded data. Long range interactions are computed using the first two terms in the Cartesian multipole expansion of Green’s function convoluted with the charge while short range computations are performed using Hockney’s domain doubling algorithm. A standard domain decomposition strategy requires O(N 2 ) applications of Hockney’s algorithm, where N is the number of subdomains that intersect that charge support, while in the present approach only O(Nlog 2 N) such computations suffice. The discretization scheme employed is a sixth order Mehrstellen approximation of the 3D Laplace opera tor. The method exhibits satisfactory accuracy at a substantially reduced computational cost compared to the full domain decomposition Hockney’s algorithm.

97 MATHEMATICS AND COMPUTING↗

SIS-AOP Cueing/Segmenting Algorithm (FOA_SIS-AOP) Using the Sandia FOA 4.0 Framework

For machine vision, one of the most important operations is fast and effective object cueing or segmentation. Sandia National Labs has a long history of development and implementation of very fast and effective cueing/segmentation algorithms. This report covers the history, motivation and implementation of evolving frameworks (Sandia FOA Frameworks) upon which this long legacy of successful algorithms are built. The report describes the innovative microprocessor implementation, enabling extremely fast morphological processing, combined with a novel adaptive quantization front - end and a feature - based backend that resulted in Sandia developing fast and effective cueing in a wide variety of applications, from defect detection to SAR ATR. The report covers evolution from Sandia FOA 1.0 Framework (1995) to current Sandia FOA 4.0 Framework (2021). Requirements for the cueing algorithm for SIS - AOP (FOA_SIS - AOP) that drove the Sandia FOA 4.0 Framework development are discussed, along with information on how to use the Sandia FOA Frameworks.

97 MATHEMATICS AND COMPUTING↗

Development of Genetic Algorithm Based Multi-Objective Plant Reload Optimization Platform

The U.S. nuclear industry is facing a challenge in maintaining required levels of safety while ensuring economic competitiveness to stay in business. Safety remains a key parameter for all aspects of light-water reactor nuclear power plant operations. Safety can become more economical by using a risk-informed ecosystem, such as the one being developed in the Risk-Informed Systems Analysis Pathway under the U.S. Department of Energy Light Water Reactor Sustainability Program. The Light Water Reactor Sustainability Program promotes a wide range of research and development activities to maximize both the safety and economic efficiency of nuclear power plants through improved scientific understanding, especially given that many plants are now considering second license renewals. The Risk-Informed Systems Analysis Pathway has two main goals: Deploy methodologies and technologies that better represent safety margins and cost and safety factors; Develop advanced applications that enable cost-effective plant operations. The Plant Reload Optimization Platform development project aims to build a reactor core design tool that includes reactor safety and fuel performance analyses and uses artificial intelligence to support the optimization of core design solutions. This report summarizes genetic-algorithm-based multi-objective fuel reload optimization activities, specifically: Developing the non-dominated sorting genetic algorithm II optimizer in the Risk Analysis and Virtual ENviroment (RAVEN); Demonstrating and validating the developed non-dominated sorting genetic algorithm II optimizer using benchmark optimization problems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Future Response of Coastal Wetlands to Environmental Stresses: Algorithm Comparison of Numerical Models

Coastal wetlands are a critical component of the earth system that strongly influence the global water and biogeochemical cycles. They are also likely important sentinel of climate change. Because eco-geomorphological processes have long been recognized to be important for coastal wetland survival under accelerated sea-level rise (SLR), many eco-geomorphology models have been developed to assess the impact of climate change on coastal wetlands. Although these models differ substantially in complexity and numerical methods, few studies have investigated the algorithm-level uncertainties in these models. In this study, we developed a multiple-algorithm model framework of coastal wetlands that represents coastal hydrodynamics (such as water level, significant wave height and bottom shear stress) and four eco-geomorphological processes: mineral accretion, organic matter accretion, storm surge erosion and landward migration. We validated the model at three representative coastal wetland sites (Venice Lagoon, Plum Island Estuary and Hunter Estuary) for hydrodynamics, mineral accretion and organic matter accretion. Through model-data comparison, we showed that the model can well capture the dynamics of hydrodynamical and eco-geomorphological conditions in the study sites. Importantly, analysis of the multiple-algorithm simulations suggests that differences in the process representation of mineral and organic matter accretion may contribute to the recent contradicting predictions of coastal wetland evolution under accelerated SLR.

54 ENVIRONMENTAL SCIENCES↗

Cosmic Algorithms: Unveiling Mysteries of the Universe with Artificial Intelligence

In the boundless expanse of the cosmos lies a tapestry of mysteries waiting to be unraveled. In this talk, we delve into the realm of "Cosmic Algorithms," where the marriage of cutting-edge artificial intelligence (AI) and astrophysical inquiry paves the way for unprecedented discoveries. One of the foremost challenges we face in contemporary astrophysics is the staggering size and complexity of astronomical datasets. I will discuss how AI provides a transformative solution to these challenges, enabling us to efficiently sift through vast amounts of data to extract meaningful insights. Moreover, I will explore the fascinating realm of gravitationally lensed galaxies and merging galaxies, showcasing how AI algorithms play a pivotal role in identifying, characterizing, and understanding these phenomena. Today we stand at the threshold of unprecedented discovery, inspired by the boundless potential of Cosmic Algorithms to illuminate the darkest corners of space. The remarkable synergy between AI and astrophysics will continue to push the boundaries of human knowledge and open new roads to discovery.

79 ASTRONOMY AND ASTROPHYSICS↗

An Inverse Heat Conduction Algorithm Used to Calculate the Temperatures on the Inner and Outer Cylindrical Surfaces of an HMX-based PBX Explosive Annulus

In this work, a new Inverse Heat Conduction (IHC) algorithm is applied to estimate the surface temperatures at twelve locations on the inner and outer cylindrical boundaries of an HMX-based Plastic Bonded Explosive (PBX) annulus. This IHC algorithm was developed in references using a set of Direct Heat Conduction (DHC) solutions and a temperature correction method. The DHC solutions were calculated using a Galerkin based finite element (FE) method. This HMX based PBX annulus was used in the Large Scale Annular Cookoff (LSAC) experiment, Shot 5. The reason Shot 5 was chosen as a prototype mathematical model for this study is that the temperature was measured at eighteen locations in the midplane of the HMX-based PBX annulus. In addition, this annulus underwent an experimental thermal ignition and a deflagration that caused a thermal explosion and the disassembly of the experiment. The objective of this study is to describe how the application of the temperature correction algorithm produced the convergence of the DHC solutions to the measured temperatures at twelve internal locations in the midplane of the HMX-based PBX annulus.

36 MATERIALS SCIENCE↗

Variational Quantum Algorithms for Semidefinite Programming

A semidefinite program (SDP) is a particular kind of convex optimization problem with applications in operations research, combinatorial optimization, quantum information science, and beyond. In this work, we propose variational quantum algorithms for approximately solving SDPs. For one class of SDPs, we provide a rigorous analysis of their convergence to approximate locally optimal solutions, under the assumption that they are weakly constrained (i.e., N " M, where N is the dimension of the input matrices and M is the number of constraints). We also provide algorithms for a more general class of SDPs that requires fewer assumptions. Finally, we numerically simulate our quantum algorithms for applications such as MaxCut, and the results of these simulations provide evidence that convergence still occurs in noisy settings.

97 MATHEMATICS AND COMPUTING↗

Assessing Ground State Energy of Molecules and Energy Profile of the NH3 Capturing CO2 System Using the Quantum Computing Algorithms

Molecule size correlates with the number of electrons on electronic energies and strength of anharmonicity on vibrational properties, however, it is challenging to address using classical computing. In this study, variational quantum eigensolver (VQE) algorithm was implemented on a quantum simulator to quantify electronic and vibrational energies and reaction pathways of CO2 + NH3 = NH2COOH. The VQE-based Hartree-Fock-Embedding algorithm was adopted to benchmark electronic energies for a series of molecules (doi.org/10.1063/5.0188249) and quantify the reaction energy profile of the CO2 capture reaction (doi.org/10.1116/5.0137750). The generated reaction profile is in good agreement with the classical high-level Coupled-Cluster-Singles-and-Doubles (CCSD) results. The quantum computing algorithm also helps enhance the calculation of vibrational ground-state energies by considering the many-body coupling using the Vibrational Self-Consistent Field method, providing results for CO2 and NH3 molecules with accuracy comparable to the direct diagonalization method. Our approach indicates quantum computing can be applied to solve practical problems.

Lee, Yueh-Lin↗

Bringing randomized algorithms to mainstream numerical linear algebra

Numerical linear algebra (NLA) underpins huge swaths of computational science and engineering. For scientists and engineers to make the most of the DOE’s computing resources, it is essential that they have access to high-performance implementations of algorithms with best-in-class scalability and reliability. Despite this, prevailing NLA libraries have little to no support for breakthrough algorithms from the field of randomized numerical linear algebra (RandNLA) that have been developed over the past twenty years. The goal of this LDRD was to break a log-jam that had prevented broad adoption of RandNLA. Our work had two thrusts. The first was to develop RandBLAS: a trustworthy and high-performance C++ library for randomized dimension reduction (an operation widely known as sketching). The second was the development of a novel randomized algorithm for computing a challenging type of matrix decomposition known as Householder QR with column pivoting (Householder QRCP). In this one-year late-start LDRD we successfully delivered RandBLAS 1.0 and new CPU and GPU codes for Householder QRCP. RandBLAS has extensive documentation at https://randblas.readthedocs.io/en/stable/. Papers on RandBLAS and and our high-performance QRCP codes are forthcoming.

97 MATHEMATICS AND COMPUTING↗

Reconfigurable neuromorphic components and algorithms for next-generation artificial intelligence

Digital transistor-based general-purpose hardware (e.g., central processing units) is the dominant solution to support both traditional computing (logic, arithmetic, etc.) as well as modern artificial intelligence. State-of-the-art research has shown feasibility of post-digital physics-based neuromorphic hardware, which is hypothesized to support artificial intelligence algorithms with orders-of-magnitude improved time/energy efficiencies. But such research has not been widely deployed mainly because of such novel hardware’s extreme application-specificity, and the dominance of low-cost general-purpose (but inefficient) digital hardware. To make use of the novel algorithms and the superlative performance of physics-based hardware, we need to identify scientific principles that can enable generality in physics-based hardware. This work resulted in two important broad outcomes – first, we demonstrate fully reconfigurable neuromorphic components, and second, we demonstrate a viable artificial intelligence learning algorithm that can exploit the functioning of neuromorphic hardware. We demonstrate up to five orders of magnitude improvement in energy efficiency compared to the best general-purpose digital hardware.

97 MATHEMATICS AND COMPUTING↗

Projecting GeoVisipedia Annotations onto Satellite Imagey with the PRISM Algorithm

GeoVisipedia is a new and novel approach to sharing knowledge about complex geospatial configurations such as facilities. GeoVisipieda annotates objects in facilities with wiki pages. Annotations are projected to and from facility imagery using the PRISM algorithm. This report describes how the PRISM algorithm uses image metadata and a 3D facility model to perform annotation projection. The report concludes with an illustration of the efficacy of the PRISM algorithm in projecting an annotation onto a stack, and a demonstration of the effects of modeling error.

3D geospatial models↗