A Virtual Memory Executive Program for SLAC Control Computers
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Howry, S.↗
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DARMA: A software stack model for supporting asynchronous data effects programming in the Exascale Computing Project (ECP).
Abstract not provided.
Wilke, Jeremiah J↗
Real-time GIS Programming and Geocomputation
Streaming data generated continuously from sensor networks, mobile devices, social media platforms and other edge devices have posed significant challenges to existing computing platforms for achieving both high throughput and low latency data processing in addition to scalable computing. This entry introduces a real-time computing and programming platform for time-critical GIS (Geographic Information System) applications. In this platform, advanced streaming data processing software, such as Apache Kafka and Spark Streaming, are integrated to enable data analytics in real-time. This computing platform can also be extended to integrate GeoAI (Geospatial Artificial Intelligence) based machine learning models to leverage both historical and streaming data to achieve real-time prediction and intelligent geospatial analytics. Two real-time geospatial applications in terms of flood simulation and climate data visualization are introduced to demonstrate how real-time programming and computing can help tackle real-world problems with important societal impacts.
Liu, Yan↗
Massively scalable workflows for quantum chemistry: BigChem and ChemCloud
Electronic structure theory, i.e., quantum chemistry, is the fundamental building block for many problems in computational chemistry. Here we present a new distributed computing framework (BigChem), which allows for an efficient solution of many quantum chemistry problems in parallel. BigChem is designed to be easily composable and leverages industry-standard middleware (e.g., Celery, RabbitMQ, and Redis) for distributed approaches to large scale problems. BigChem can harness any collection of worker nodes, including ones on cloud providers (such as AWS or Azure), local clusters, or supercomputer centers (and any mixture of these). BigChem builds upon MolSSI packages, such as QCEngine to standardize the operation of numerous computational chemistry programs, demonstrated here with Psi4, xtb, geomeTRIC, and TeraChem. BigChem delivers full utilization of compute resources at scale, offers a programable canvas for designing sophisticated quantum chemistry workflows, and is fault tolerant to node failures and network disruptions. We demonstrate linear scalability of BigChem running computational chemistry workloads on up to 125 GPUs. Finally, we present ChemCloud, a web API to BigChem and successor to TeraChem Cloud. ChemCloud delivers scalable and secure access to BigChem over the Internet.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Composable Programming of Hybrid Workflows for Quantum Simulation
We present a composable design scheme for the development of hybrid quantum/classical algorithms and workflows for applications of quantum simulation. Our object-oriented approach is based on constructing an expressive set of common data structures and methods that enable programming of a broad variety of complex hybrid quantum simulation applications. The abstract core of our scheme is distilled from the analysis of the current quantum simulation algorithms. Subsequently, it allows a synthesis of new hybrid algorithms and workflows via the extension, specialization, and dynamic customization of the abstract core classes defined by our design. We implement our design scheme using the hardware-agnostic programming language QCOR into the QuaSiMo library. To validate our implementation, we test and show its utility on commercial quantum processors from IBM, running some prototypical quantum simulations.
97 MATHEMATICS AND COMPUTING↗
ASCR Report on a Quantum Computing Testbed for Science
This report details the findings of the Quantum Testbed Stakeholder Workshop sponsored by the Department of Energy’s Advanced Scientific Computing Research Program to identify opportunities and challenges in establishing a quantum testbed to advance quantum computing hardware and software systems that will enable science investigations. The workshop was help on February 14 – 16, 2017 in Washington DC and served as a forum for individual stakeholders from academia, industry, national laboratories, and government to provide their perspectives and ideas on the overarching goals and objectives of a quantum testbed, technical considerations, and how a quantum testbed program would be synergistic with other nascent quantum computing efforts in the US and worldwide. This report summarizes discussions on best practices for management of various types of collaborative research activities, including topics such as workforce training and building strong relationships with the research community. It also reviews specific technologies that have been identified by the ASCR Program as being important for the success of a quantum testbed whose overall goal is advancing quantum computing for scientific applications in the next five years.
97 MATHEMATICS AND COMPUTING↗
Institute for Sustained Performance, Energy, and Resilience (SUPER): University of Utah Final Report
This is the final report for the University of Utah's contribution to the Institute for Sustained Performance, Energy, and Resilience (SUPER), which was a DOE Scientific Discovery through Advanced Computing (SciDAC) Program.
97 MATHEMATICS AND COMPUTING↗
INL Senior Project
What did my team set out to accomplish:? Can I put a custom Machine Learning Model on FPGA?? Can I analyze network traffic in real time?? Can a QSFP port be used with an FPGA?? Does a visual representation of the latent space enhance our understanding of network traffic?? What is QSFP QSFP (Quad Small Form-Factor Pluggable)? QSFP supports transfer speeds generally up to 100Gb/s? Runs 4 parallel lines running up to 28 Gb/s? Why the latent space is important to our project ?Latent space is the compressed mapping of data points in a non-linear fashion? Create an understanding of the relationship of data collected? Can represent that relationship of a single network packet in 3 points (X, Y, Z) Project Outline FPGA? Custom Xilinx Petalinux Image for the operating system? Python program to collect packets and run them through the DPU (Data Processing Unit)? The program then sends the information over a socket to a computer? Display Program? Python Program that collects the information sent from the FPGA and display it in a graph
99 GENERAL AND MISCELLANEOUS↗
Method of processing an image
A non-transitory computer-readable medium encoded with a computer-readable program, which when executed by a processor, will cause a computer to execute a computational method, the computational method including collecting an image data, wherein the collecting the image data comprises collecting a first plurality of RGB images and a second plurality of hyperspectral images. The method further includes orthorectifying the image data to produce an RGB based orthophoto and a partially rectified hyperspectral orthophoto. The method further includes selecting tie features from each of the RGB based orthophoto and the partially rectified hyperspectral orthophoto. Lastly, the method includes registering the features of the partially rectified hyperspectral orthophoto into the tie features of the RGB based orthophoto.
97 MATHEMATICS AND COMPUTING↗
Method of processing an image
A non-transitory computer-readable medium encoded with a computer-readable program, which when executed by a processor, will cause a computer to execute a computational method, the computational method including collecting an image data, wherein the collecting the image data comprises collecting a first plurality of RGB images and a second plurality of hyperspectral images. The method further includes orthorectifying the image data to produce an RGB based orthophoto and a partially rectified hyperspectral orthophoto. The method further includes selecting tie features from each of the RGB based orthophoto and the partially rectified hyperspectral orthophoto. Lastly, the method includes registering the features of the partially rectified hyperspectral orthophoto into the tie features of the RGB based orthophoto.
97 MATHEMATICS AND COMPUTING↗
Method of processing an image
A non-transitory computer-readable medium encoded with a computer-readable program, which when executed by a processor, will cause a computer to execute a computational method, the computational method including collecting an image data, wherein the collecting the image data comprises collecting a first plurality of RGB images and a second plurality of hyperspectral images. The method further includes orthorectifying the image data to produce an RGB based orthophoto and a partially rectified hyperspectral orthophoto. The method further includes selecting tie features from each of the RGB based orthophoto and the partially rectified hyperspectral orthophoto. Lastly, the method includes registering the features of the partially rectified hyperspectral orthophoto into the tie features of the RGB based orthophoto.
97 MATHEMATICS AND COMPUTING↗
FY25 Report on Water NSTF Testing: Parametric and Accident Testing with Lower Tank Inlet
The Natural Convection Shutdown Heat Removal Test Facility (NSTF) at Argonne National Laboratory has continued to generate empirical validation data on the performance of water-based reactor cavity cooling system (RCCS) for seven years. This data is actively being used to support the development of passive decay heat removal systems for advanced reactors. Distinguishing this facility are 1) the large, ½ scale of the facility and 2) its governance under an NQA-1 qualified program for producing data of the highest pedigree for advanced reactor designers and regulators. In addition to the experimental activities discussed in this report, a computational modeling program continues to support the experimental program and further accuracy and understanding of the computational models. Together, the experimental and computational work create a mutually beneficial relationship integral to the overall program objective of advancing the understanding of the RCCS technology.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Quantum Computing Strategy 2026
Quantum computing (QC) is a rapidly maturing technology with the potential for revolutionary impacts on stockpile stewardship science and national security. Recent developments in fault-tolerant architectures have compressed vendor roadmaps, and predictions of a production-ready quantum computer by the mid-2030s are becoming increasingly credible. This strategy provides a roadmap for integrating QC into the Advanced Simulation and Computing (ASC) program by investing in four strategic focus areas: 1. Develop Capabilities in Mission-Relevant Quantum Applications: ASC will prioritize developing quantum-ready applications in mission areas that have shown significant promise for quantum advantage, including simulations of materials in extreme environments, nuclear dynamics, solving linear and nonlinear partial differential equations, and uncertainty quantification. These applications directly support stockpile stewardship science and modernization objectives. 2. Conduct R&D in Algorithms, Software, and Hardware: Sustained research into quantum algorithms, robust software tools, and quantum hardware is essential. ASC will develop efficient quantum algorithms; invest in quantum compilers, debuggers, and performance tools; and explore specialized quantum hardware tailored to NNSA’s unique requirements. 3. Engage with Vendors and Partners: Early and active collaboration with commercial quantum hardware vendors and academic partners is critical. Through testbeds, co-design agreements, and quantum demonstration facilities, ASC will influence hardware design, gain early access to emerging technologies, and ensure that quantum platforms evolve to meet mission needs. 4. Build Knowledge, Experience, and Workforce: Expanding and upskilling the quantum-trained workforce is essential to long-term success. This includes hiring, internal training, university outreach, and postdoctoral support to ensure ASC maintains the expertise required to operate, program, and integrate quantum systems as they become available. While quantum computing will never replace classical computing, it has the potential to solve certain problems with speed and accuracy that would be unachievable using any conceivable classical high-performance computing (HPC) system. By investing strategically in QC, ASC will help propel the emergent QC industry, maintain U.S. technological leadership, ensure mission readiness, and position itself to rapidly adopt quantum technologies as they mature.
97 MATHEMATICS AND COMPUTING↗
The Role of the Digital Thread for Security, Resilience, and Adaptability in Manufacturing
The manufacturing sector is dramatically evolving with recent technical and digital advances. Among these, the digital thread is revolutionizing manufacturing operations well beyond the historic downloading of programs to computer numerically controlled (CNC) machine tools and the uploading of edited programs from CNC controllers. The digital thread is “the communication framework that enables a connected data flow and integrated view of the asset’s data throughout its lifecycle across traditionally siloed functional perspectives” (Leiva 2016). It is pervasive around the world and has changed the way society operates; for example, map apps are used to provide time-optimal directions to destinations using real-time traffic feedback. The digital thread makes it possible to digitally verify products, ensure that the latest technologies are deployed across the entire manufacturing ecosystem, and strengthen the workforce by making each individual more efficient and effective. These three foundational advanced manufacturing concepts will ensure a next-generation secure, resilient, and adaptable manufacturing ecosystem and sustainably support current and future needs of society (Lynn et al. 2020).
99 GENERAL AND MISCELLANEOUS↗
Computing single step operators of logic programming in radial basis function neural networks
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T{sub p}:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Argonne Leadership Computing Facility (2020 Operational Assessment Report)
In 2004, the U.S. Department of Energy’s (DOE’s) Advanced Scientific Computing Research (ASCR) program founded the Leadership Computing Facility (LCF) with a mission to provide the world’s most advanced computational resources to the open science community. The LCF is a huge investment in the nation’s scientific and technological future, inspired by a growing demand for capability computing and its impact on science and engineering.
97 MATHEMATICS AND COMPUTING↗
2023 Operational Assessment Report: Argonne Leadership Computing Facility
In 2004, the U.S. Department of Energy’s (DOE’s) Advanced Scientific Computing Research (ASCR) program established the Leadership Computing Facility (LCF) with a mission to provide the world’s most advanced computational resources to the open science community. The LCF is a huge investment in the nation’s scientific and technological future, inspired by a growing demand for large-scale computing and its impact on science and engineering. The LCF operates two world-class centers in support of open science at Argonne National Laboratory (Argonne) and at Oak Ridge National Laboratory (Oak Ridge) and deploys diverse machines that are among the most powerful systems in the world today. The LCF ranks among the top U.S. scientific facilities delivering impactful science. The work performed at these centers informs policy decisions and advances innovations in far-reaching areas such as energy assurance, ecological sustainability, and global security. The leadership-class systems at Argonne and Oak Ridge operate around the clock every day of the year. The high level of services these centers provide and the exceptional science they produce justify their existence to the DOE Office of Science and the U.S. Congress
97 MATHEMATICS AND COMPUTING↗
FY18 ASC P&EM L2 Milestone 6362: Local Failure Local Recovery (LFLR) Resiliency for Asynchronous Many Task (AMT) Programming and Execution Models: Executive Summary
The overall goal of this work was to perform an in-depth analysis of resilience schemes adapted to the Asynchronous Many-Task (AMT) programming and execution model with the goal of informing the Sandia Advanced Simulation and Computing (ASC) program's application development strategy for next generation platforms (NGPs).
97 MATHEMATICS AND COMPUTING↗