Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “azure”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

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↗
DOE OSTI2026

SAIGE-GPU: accelerating genome- and phenome-wide association studies using GPUs

Genome-wide association studies (GWAS) at biobank scale are computationally intensive, especially for admixed populations requiring robust statistical models. SAIGE is a widely used method for generalized linear mixed-model GWAS but is limited by its CPU-based implementation, making phenome-wide association studies impractical for many research groups. We developed SAIGE-GPU, a GPU-accelerated version of SAIGE that replaces CPU-intensive matrix operations with GPU-optimized kernels. The core innovation is distributing genetic relationship matrix calculations across GPUs and communication layers. Applied to 2068 phenotypes from 635 969 participants in the Million Veteran Program, including diverse and admixed populations, SAIGE-GPU achieved a 5-fold speedup in mixed model fitting on supercomputing infrastructure and cloud platforms. We further optimized the variant association testing step through multi-core and multi-trait parallelization. Deployed on Google Cloud Platform and Azure, the method provided substantial cost and time savings. Source code and binaries are available for download at https://github.com/saigegit/SAIGE/tree/SAIGE-GPU-1.3.3. A code snapshot is archived at Zenodo for reproducibility (DOI: [10.5281/zenodo.17642591]). SAIGE-GPU is available in a containerized format for use across HPC and cloud environments and is implemented in R/C++ and runs on Linux systems.

Rodriguez, Alex [Argonne National Laboratory (ANL)↗
DOE OSTI2021

Performance Profile of Transformer Fine-Tuning in Multi-GPU Cloud Environments

The study presented here focuses on performance characteristics and trade-offs associated with running machine-learning tasks in multi-GPU environments on both on-site cloud computing resources and commercial cloud services (Azure). Specifically, this study examines these tradeoffs by examining the performance of training and fine-tuning of transformer-based deep-learning (DL) networks on clinical notes and data, a task of critical importance in the medical domain. To this end, we perform DL-related experiments on the widely deployed NVIDIA V100 GPUs and on the newer A100 GPUs connected via NVLink or PCIe. This study analyzes the execution time of major operations to train DL models and investigate popular options to optimize each of them. We examine and present the findings on the impacts that various operations (e.g. data loading into GPUs, training, fine-tuning), optimizations, and system configurations (single vs. multi-GPU, NVLink vs. PCIe) have on the overall training performance.

Begoli, Edmon↗
DOE OSTI2020

Electrostatics/apbs-rest

Web server and RESTful backend services for APBS and PDB2PQR This software was developed to deploy APBS (https://github.com/Electrostatics/apbs) and PDB2PQR (https://github.com/Electrostatics/pdb2pqr) on Azure to address a gap left by the closing of the previous hosting service at UCSD

Offor, Elvis↗
DOE OSTI2023

Development of a Scalable Risk-informed Predictive Maintenance Cloud-based Strategy at Nuclear Power Plants

The fact that light-water reactor operation and maintenance costs are prohibitively expensive and contribute to the premature decommissioning of nuclear power plants is partly due to how the equipment is monitored. In recent years, cloud computing has emerged as a dominant technology, as its low cost, computing and storage adaptability, and ability to host applications across numerous virtual infrastructures potentially make it a cost-effective alternative to onsite storage and diagnostics. In this paper, a technological assessment is carried out on a provisional cloud deployment architecture for a nuclear power plant predictive monitoring system. This cloud-based monitoring system would enable maintenance and diagnostic analysts and other authorized plant users to remotely monitor equipment functionality, thus enabling early fault detection and effective predictive maintenance practices. To provide data processing and storage, sensor device networking, and database management, the Microsoft Azure cloud platform is utilized as part of the proposed cloud architecture; however, this analysis could be extended to other cloud computing service providers as well. The focus of this paper is on application of cloud resources for enabling predictive maintenance, identification of technological hurdles associated with moving to a cloud-computing-based architecture, and potential benefits from moving to a centralized cloud system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Evaluating the Cloud for Capability Class Leadership Workloads

Cloud platforms offer a variety of benefits that are very appealing for a large scale HPC facility with a diverse and dynamic user base and workload set. At the same time, there is cause for concern about transitioning to the cloud. Incorporating cloud resources into existing HPC facilities or even fully transitioning to a cloud deployment poses significant challenges at the technical, organizational, and economic levels. Regardless, based on current trends it is highly likely that cloud platforms will become an integral component of many HPC centers in some form. To gain a better understanding of both the limitations and capabilities of current cloud infrastructures we evaluated the public offerings of the three leading cloud platforms (Amazon Web Services, Microsoft Azure, and Google Cloud Platform) using a selection of representative application workloads from our facility. Our findings show that while current HPC offerings are still nascent, significant progress is being made to address the present shortcomings. At the same time, significant challenges and questions remain about whether HPC cloud offerings will be able to deliver the full range of expected benefits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Assessment of Cloud-Based Applications Enabling a Scalable Risk-Informed Predictive Maintenance Strategy Across the Nuclear Fleet

The current light water reactor fleet uses time-based or failure-based maintenance strategies to achieve high-capacity factors. But to make nuclear more competitive in the energy market, these reactors could utilize emerging technologies in terms of artificial intelligence (AI) and cloud computing to enable a cost-effective, predictive maintenance strategy. This report examines the feasibility of cloud computing for the nuclear industry’s needs in terms of the cloud’s computing capabilities, feasibility, and regulatory concerns. The technical viability of cloud computing was analyzed using one year worth of data from a boiling water reactor’s safety relief valve. Models were hosted on a local desktop, Idaho National Laboratory’s high-performance computer, and Microsoft Azure. Data was loaded, processed, and two types of models were trained in an A/B fashion. Based on the speed at which these actions were completed, it was used to determined that cloud computing has adequate computing resources. Additionally, the computing power can scale with the demanded load. To enable cloud computing in the existing fleet, additional sensors, networks, and other requirements must be implemented to ensure a smooth transition from current maintenance strategies. However, there is a benefit as the plant no longer needs manage their own servers, software, cybersecurity, and IT support staff. Many of these features can be offloaded on to the cloud provider. A comprehensive analysis was completed that showed the current annual cost of operating is more expensive than using cloud computing resources. Lastly, the regulatory framework does not explicitly address AI or autonomous control. Currently, the NRC and other regulatory bodies are evaluating providing guidance to address gaps rather than new regulations to address the use of AI and ML. But since many of the AI applications are focused on non-safety related applications, such as balance-of-plant components, they will likely have little or no regulatory restrictions or necessary approvals. Demonstrating how AI can improve maintenance and operation of these non-safety related systems seems like the likely path forward for implementing AI and cloud computing resources inside nuclear power plants (NPPs).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Integrated Risk-Informed Condition Based Maintenance Capability and Automated Platform: Technical Report 1

Due to continuing global energy market trends, driven heavily by the abundant preserves of natural gas, there is an immediate need to reduce costs associated with operation and maintenance (O&M) for the current domestic nuclear power industry and for future reactor developments. This is to ensure that nuclear power generation remains an economically competitive and viable option in the energy market. O&M costs include labor-intensive preventive maintenance (PM) programs, which involve manually-performed inspection, calibration, testing, and maintenance of plant assets at periodic frequency and time-based replacement of assets, irrespective of their condition. This has resulted in an expensive, labor-centric business model to achieve high capacity factors. Fortunately, there are technologies (advanced sensors, data analytics, and risk assessment methodologies) that can enable the transition from a labor-centric business model to a technology-centric business model. The technology-centric business model will result in a significant reduction of PM activities, laying the foundation for real-time condition assessment of plant assets, reducing overall labor and part costs. To enable this transition, PKMJ Technical Services LLC is partnering with the U.S. Department of Energy’s Idaho National Laboratory (operated by the Battelle Energy Alliance, LLC) and the Public Services Enterprise Group (PSEG) Nuclear, LLC in the Integrated Risk-Informed Condition-Based Maintenance Capability and Automated Platform Project. In this report, the configuration of a digital cloud platform using Microsoft Azure is discussed, data from the PSEG Salem Nuclear Generating Station Units 1 & 2 are imported into a digital cloud platform, and the data is used for an evaluation of several key areas: cost impact analysis, risk-informed model development, and preventive maintenance strategy optimization. First, the cost impact analysis reviews which plant assets are potential good candidates for condition-based monitoring. Next, INL utilized the data in their local environment to develop the risk-informed model; which provides estimates of failure rates and probability of failures of assets based upon their past performance. The developed model is performed on assets selected from the cost impact analysis. Lastly, engineers assess the preventive maintenance strategy for the selected assets at PSEG against maintenance strategies in the nuclear industry for similar assets to potentially identify acceptable justification for the extension of current maintenance frequencies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Enterprise Artificial Intelligence Strategy for Los Alamos National Laboratory

In the 1984 martial arts drama film, The Karate Kid, a young Daniel LaRusso is unexpectedly placed in an adversarial environment unable to eYectively adapt to a series of new threats and limitations. Fortunately for the main character, once placed under the tutelage of a Mr. Miyagi, he finds resiliency not through the adoption of new tools, but a re-focused set of fundamentals. Much in the same way that Daniel learns waxing on and buYing oY car wax by hand has rewards for Karate, LANL is choosing the harder path of self-hosting Large Language Models (LLMs) for enterprise use instead of only relying on buying access to a hosted AI service like Azure’s OpenAI Application Programming Interface (API). We also are not willing to wait for software-as-a-service (SAAS) AI services to meet us where we need to be from a FedRAMP accreditation standpoint. Our operations regularly depend on access at CUI, UCNI, ITAR and other FIPS-199 moderate-impact data levels and hosting our own services gives us the right security and compliance posture to be useful across the broad range of our work at LANL. With the rise in threats to critical infrastructure, cloud service providers (CSPs), and supply chain attacks from both state and non-state actors, we are not placing the bet that SAAS hosted AI services will be available when we need them. Should a major event occur, we do not want our staY and operations left without a pathway for us to fix the problem and resume the use of AI tools.

42 ENGINEERING↗
DOE OSTI2024

Building a FAIR data ecosystem for incorporating single-cell transcriptomics data into agricultural genome to phenome research

Introduction The agriculture genomics community has numerous data submission standards available, but the standards for describing and storing single-cell (SC, e.g., scRNA- seq) data are comparatively underdeveloped. Methods To bridge this gap, we leveraged recent advancements in human genomics infrastructure, such as the integration of the Human Cell Atlas Data Portal with Terra, a secure, scalable, open-source platform for biomedical researchers to access data, run analysis tools, and collaborate. In parallel, the Single Cell Expression Atlas at EMBL-EBI offers a comprehensive data ingestion portal for high-throughput sequencing datasets, including plants, protists, and animals (including humans). Developing data tools connecting these resources would offer significant advantages to the agricultural genomics community. The FAANG data portal at EMBL-EBI emphasizes delivering rich metadata and highly accurate and reliable annotation of farmed animals but is not computationally linked to either of these resources. Results Herein, we describe a pilot-scale project that determines whether the current FAANG metadata standards for livestock can be used to ingest scRNA-seq datasets into Terra in a manner consistent with HCA Data Portal standards. Importantly, rich scRNA-seq metadata can now be brokered through the FAANG data portal using a semi-automated process, thereby avoiding the need for substantial expert curation. We have further extended the functionality of this tool so that validated and ingested SC files within the HCA Data Portal are transferred to Terra for further analysis. In addition, we verified data ingestion into Terra, hosted on Azure, and demonstrated the use of a workflow to analyze the first ingested porcine scRNA-seq dataset. Additionally, we have also developed prototype tools to visualize the output of scRNA-seq analyses on genome browsers to compare gene expression patterns across tissues and cell populations. This JBrowse tool now features distinct tracks, showcasing PBMC scRNA-seq alongside two bulk RNA-seq experiments. Discussion We intend to further build upon these existing tools to construct a scientist-friendly data resource and analytical ecosystem based on Findable, Accessible, Interoperable, and Reusable (FAIR) SC principles to facilitate SC-level genomic analysis through data ingestion, storage, retrieval, re-use, visualization, and comparative annotation across agricultural species.

Genetics & Heredity↗
DOE OSTI2025

An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications

In this paper, we explore using the Harrow–Hassidim–Lloyd (HHL) algorithm to address scientific and engineering problems through quantum computing, utilizing the NWQSim simulation package on a high-performance computing platform. Focusing on domains such as power-grid management and climate projection, we demonstrate the correlations of the accuracy of quantum phase estimation, along with various properties of coefficient matrices, on the final solution and quantum resource cost in iterative and non-iterative numerical methods such as the Newton–Raphson method and finite difference method, as well as their impacts on quantum error correction costs using the Microsoft Azure Quantum resource estimator. We summarize the exponential resource cost from quantum phase estimation before and after quantum error correction and illustrate a potential way to reduce the demands on physical qubits. This work lays down a preliminary step for future investigations, urging a closer examination of quantum algorithms’ scalability and efficiency in domain applications.

hybrid software for QC-HPC↗
NASA NTRS1976

AP-8 trapped proton environment for solar maximum and solar minimum

Data sets from Ov-3 and Azur indicate a need for improvement in models of the stably trapped proton flux with energies between 0.1 and 400 MeV. Two computer accessible models are described: AP8MAX and AP8MIN. The models are presented in the form of nomographs, B-L plots, R-lambda plots, and equatorial radial profiles. Nomographs of the orbit-integrated fluxes are also discussed. The models are compared with each other, with the data, and with previous AP models. Requirements for future improvements include more complete data coverage and periodic comparisons with new data sets as they become available. The machine-sensible format in which the models are available are described.

Sawyer, D. M.↗
NASA NTRS1982

On the energy dependence of the radial diffusion coefficient and spectra of inner radiation belt particles - Analytic solutions and comparison with numerical results

A theoretical method by which the energy dependence of the radial diffusion coefficient may be deduced from spectral observations of the particle population at the inner edge of the earth's radiation belts is presented. This region has previously been analyzed with numerical techniques; in this report an analytical treatment that illustrates characteristic limiting cases in the L shell range where the time scale of Coulomb losses is substantially shorter than that of radial diffusion (L approximately 1-2) is given. It is demonstrated both analytically and numerically that the particle spectra there are shaped by the energy dependence of the radial diffusion coefficient regardless of the spectral shapes of the particle populations diffusing inward from the outer radiation zone, so that from observed spectra the energy dependence of the diffusion coefficient can be determined. To insure realistic simulations, inner zone data obtained from experiments on the DIAL, AZUR, and ESRO 2 spacecraft have been used as boundary conditions. Excellent agreement between analytic and numerical results is reported.

Westphalen, H.↗
NASA NTRS1994

Comparison of LASSO and GPS time transfers

The LASSO is a technique which should allow the comparison of remote atomic clocks with sub-nanosecond precision and accuracy. The first successful time transfer using LASSO has been carried out between the Observatoire de la Cote d'Azur in France and the McDonald Observatory in Texas, United States. This paper presents a preliminary comparison of LASSO time transfer with GPS common-view time transfer.

Lewandowski, W.↗
NASA NTRS1995

(T2L2) Time Transfer by Laser Link

T2L2 (Time Transfer by Laser Link) is a new generation time transfer experiment based on the principles of LASSO (Laser Synchronization from Synchronous Orbit) and used with an operational procedure developed at OCA (Observatoire de la Cote d'Azur) during the active intercontinental phase of LASSO. The hardware improvements could lead to a precision better than 10 ps for time transfer (flying clock monitoring or ground based clock comparison). Such a package could fly on any spacecraft with a stable clock. It has been developed in France in the frame of the PHARAO project (cooled atom clock in orbit) involving CNES and different laboratories. But T2L2 could fly on any spacecraft carrying a stable oscillator. A GPS satellite would be a good candidate, as T2L2 could allow to link the flying clock directly to ground clocks using light, aiming to important accuracy checks, both for time and for geodesy. Radioastron (a flying VLBI antenna with a H-maser) is also envisioned, waiting for a PHARAO flight. The ultimate goal of T2L2 is to be part of more ambitious missions, as SORT (Solar Orbit Relativity Test), aiming to examine aspects of the gravitation in the vicinity of the Sun.

Veillet, Christian↗
NASA NTRS2016

Using Cloud-Based Storage Technologies for Earth Science Data

Cloud based infrastructure may offer several key benefits of scalability, built in redundancy and reduced total cost of ownership as compared with a traditional data center approach. However, most of the tools and software systems developed for NASA data repositories were not developed with a cloud based infrastructure in mind and do not fully take advantage of commonly available cloud-based technologies. Object storage services are provided through all the leading public (Amazon Web Service, Microsoft Azure, Google Cloud, etc.) and private (Open Stack) clouds, and may provide a more cost-effective means of storing large data collections online. We describe a system that utilizes object storage rather than traditional file system based storage to vend earth science data. The system described is not only cost effective, but shows superior performance for running many different analytics tasks in the cloud. To enable compatibility with existing tools and applications, we outline client libraries that are API compatible with existing libraries for HDF5 and NetCDF4. Performance of the system is demonstrated using clouds services running on Amazon Web Services.

Data↗
NASA NTRSDate not supplied

LIPA: Lunar Ice Perception Algorithm

The highest concentration of Lunar water-ice stores exists within the Permanently Shadowed Regions (PSRs) of the Lunar South Pole. As such, the ability to locate in situ water-ice stores in an accurate, systematic, and safe manner will prove vital for future Lunar activities which rely on hydrogen-based resources. Here we show how the strong absorptive properties of ice can be exploited (by coupling robotics, infrared imaging techniques, and machine learning) so that surface frost located in PSRs can be easily differentiated from the surrounding frozen regolith. Testbeds which simulate an icy lunar landscape were created and then imaged using a mid-wave infrared (MWIR) camera system mounted to a robotic arm (UR5e). Testbeds were imaged under two filter modes (1) wide band mode: whereby imagery captured filled a spectral range of 3.0 - 5.0 μm and (2) narrow band mode: whereby imagery captured were confined to a single central wavelength (CWL) of 3.15 ± 0.03 μm. A CWL of 3.15 μm was chosen due to the highly absorptive nature of ice at that specific wavelength. Images produced under both camera modes were processed in MATLAB. Narrow band images (NB) were subtracted from their wide band (WB) counterparts to produce differenced images (DI) which clearly demonstrated the spatial extent of ice (e.g., WB – NB = DI). Differenced images were used to train a Microsoft Azure model to discriminate between frozen regolith which did and did not contain ice. These works prove promising for future in situ resource utilization (ISRU) missions which employ robotics in combination with camera systems to advance science objectives (e.g., locate water-ice in frozen regolith) on the lunar surface.

Ane Slabic↗
NASA NTRSDate not supplied

Artificial Intelligence (AI) Methods for Augmenting the IMPACT Tool Evidence Library

Development of the Evidence Library for use with the IMPACT probability risk assessment tool took several years and involved a staggering amount of effort from a multi-disciplinary team. A very significant amount of the labor effort to collect, assess and finalize the Clinical Finding Form (CliFF) for each of the 119 medical conditions was provided by physician subject matter experts from the Exploration Medical Capability (ExMC) Element Clinical and Science Team. Many AI tools such as ChatGPT are excellent at summarizing large amounts of information and the current project was initiated to determine how such tools might streamline laborious processes, e.g., review and summarization of many scientific research publications, to execute key steps more efficiently in the process of developing CliFFs. The process for collecting the evidence which is found in the CliFFs is well documented in the Evidence Library Methods document (ELM; HRP-48036*). Using ELM and the CliFF development instructions as a guideline, a team of developers is leveraging Microsoft Azure AI tools and services along with open-source frameworks, to construct an AI-assisted automated pipeline. This pipeline is designed to search, retrieve, and process the necessary data sources, and ultimately help generate the final version of a CliFF. Currently, the large language model evaluates the relevance of each source material to spaceflights, either as direct evidence or as an analog. Additionally, the model assists in extracting keywords and generating brief summaries to enhance augmented retrieval and search processes in later stages of CliFF development. Once the data is ready, the model can perform semantic search and retrieval, generating and extracting valuable information for the CliFF. For instance, it can handle epidemiological statistical data, such as incidence rates and the likelihood of best or worst-case scenarios. The steps that required reading and summarizing articles were viewed as providing the greatest return on investment since large language models are very efficient and accurate in summarizing large amounts of text. Since labor effort to complete the original CliFF was not recorded with sufficient granularity, comparisons with an AI tool-generated CliFF will provide merely an approximation of time saved. Upon completion of the process, the CliFF for the medical condition “appendicitis” generated with the support of AI-based methods will serve as a proof-of-concept and will be compared to the original appendicitis CliFF to determine if use of the tools resulted in content and conclusory similarity. Based upon the results from face validation of the two CliFFs, modifications to the process will be made if necessary and additional condition CliFFs will be evaluated. Ultimately, CliFFs for the entire set of medical conditions will be created with the assistance of AI tools. Depending on the cost savings realized, CliFFs for additional medical conditions can be created to expand the Evidence Library. Future direction includes specifying the characteristics of the reviewer (prompting the AI tools to generate output assuming the reviewer is a sub-specialist physician, or nurse or EMT/medic) to determine if the effects on AI-generated output are different based on knowledge, skills and abilities. *Exploration Medical Capability Evidence Library Methods, HRP-48036 Rev A, July 2022.

Ali Al↗