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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.

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At least 37 records · Page 2

A cloud computing approach to massively-parallel distributed stochastic optimization with application to geomechanical reservoir characterization

Many search strategies used to optimize parameters during hydrologic model calibration are inherently limited in that simulations must be performed sequentially in order for the algorithm to converge. As a result, the overall time required to reach a solution increases linearly with the number of steps necessary. In contrast, sampling strategies that attempt to approximate the posterior distribution of the parameters do not require the model simulations to be run in sequence and therefore invite the use of a massively parallel approach across heterogeneous computing environments. We apply a cloud computing methodology to this problem where a head node running on Amazon Web Services continuously produces candidate models that are distributed to arbitrary compute environments to run the simulation, in our case Clemson’s Palmetto cluster computer. Thus the time required to obtain a sufficient number of samples to produce an adequate approximation of the posterior distribution of the parameters is limited by the number of available compute sites. Monte Carlo sampling of the posterior space would be duplicative and inefficient, thus we combine Latin hypercube methods with genetic algorithms to ensure that no large regions of the parameter space are left unexplored, and that high probability regions are investigated thoroughly. We independently assess the fit to different types of data sets without the need to construct a single objective function. Sets of Pareto optimal models are particularly valuable when the quality and information content of data is poorly known or conceptual model errors exist in our simulation. We illustrate our approach for a problem where in situ strain data are used to calibrate the parameters of an oil reservoir in the Avant oil field in Oklahoma. We use well injection and shut-in to stress a deep (500m) confined formation, and observe the geomechanical response using borehole strainmeters installed in the shallow subsurface (30m). These data were then used to calibrate the poroelastic properties of the reservoir and caprock along with the geometry of an elliptic channel associated with the formation. Using our approach we are able to identify issues with model error as well as substantial tradeoffs that occur within the parameters.

inversion, stochastic, geomechanics, poroelastic, ↗

SU-E-T-222: Computational Optimization of Monte Carlo Simulation On 4D Treatment Planning Using the Cloud Computing Technology

Purpose: This study evaluated the efficiency of 4D lung radiation treatment planning using Monte Carlo simulation on the cloud. The EGSnrc Monte Carlo code was used in dose calculation on the 4D-CT image set. Methods: 4D lung radiation treatment plan was created by the DOSCTP linked to the cloud, based on the Amazon elastic compute cloud platform. Dose calculation was carried out by Monte Carlo simulation on the 4D-CT image set on the cloud, and results were sent to the FFD4D image deformation program for dose reconstruction. The dependence of computing time for treatment plan on the number of compute node was optimized with variations of the number of CT image set in the breathing cycle and dose reconstruction time of the FFD4D. Results: It is found that the dependence of computing time on the number of compute node was affected by the diminishing return of the number of node used in Monte Carlo simulation. Moreover, the performance of the 4D treatment planning could be optimized by using smaller than 10 compute nodes on the cloud. The effects of the number of image set and dose reconstruction time on the dependence of computing time on the number of node were not significant, as more than 15 compute nodes were used in Monte Carlo simulations. Conclusion: The issue of long computing time in 4D treatment plan, requiring Monte Carlo dose calculations in all CT image sets in the breathing cycle, can be solved using the cloud computing technology. It is concluded that the optimized number of compute node selected in simulation should be between 5 and 15, as the dependence of computing time on the number of node is significant.

60 APPLIED LIFE SCIENCES↗

Edge-cloud computing performance benchmarking for IoT based machinery vibration monitoring

Advances in low cost and reliable sensing, connectivity (Internet of Things), computational power, and advanced analytics, are leading to a new wave of innovation in machinery status sensing and condition monitoring. Significant research efforts are directed towards cloud computing architectures. However, given the latency, bandwidth, cost, security, and privacy concerns, further supported by the ever-increasing capabilities of edge computing devices, there is a need to consider both edge and cloud computing together to make informed decisions based upon context and performance. In this work, we present an edge-cloud performance evaluation for IoT based machinery vibration monitoring, to foster deployment for the contexts considered.

97 MATHEMATICS AND COMPUTING↗

Defense strategies for cloud computing multi-site server infrastructures

We consider cloud computing server infrastructures for big data applications, which consist of multiple server sites connected over a wide-area network. The sites house a number of servers, network elements and local-area connections, and the wide-area network plays a critical, asymmetric role of providing vital connectivity between them. We model this infrastructure as a system of systems, wherein the sites and wide-area network are represented by their cyber and physical components. These components can be disabled by cyber and physical attacks, and also can be protected against them using component reinforcements. The effects of attacks propagate within the systems, and also beyond them via the wide-area network.We characterize these effects using correlations at two levels using: (a) aggregate failure correlation function that specifies the infrastructure failure probability given the failure of an individual site or network, and (b) first-order differential conditions on system survival probabilities that characterize the component-level correlations within individual systems. We formulate a game between an attacker and a provider using utility functions composed of survival probability and cost terms. At Nash Equilibrium, we derive expressions for the expected capacity of the infrastructure given by the number of operational servers connected to the network for sum-form, product-form and composite utility functions.

Rao, Nageswara S.↗

Understanding the Performance and Potential of Cloud Computing for Scientific Applications

In this paper, commercial clouds bring a great opportunity to the scientific computing area. Scientific applications usually require significant resources, however not all scientists have access to sufficient high-end computing systems, may of which can be found in the Top500 list. Cloud Computing has gained the attention of scientists as a competitive resource to run HPC applications at a potentially lower cost. But as a different infrastructure, it is unclear whether clouds are capable of running scientific applications with a reasonable performance per money spent. This work studies the performance of public clouds and places this performance in context to price. We evaluate the raw performance of different services of AWS cloud in terms of the basic resources, such as compute, memory, network and I/O. We also evaluate the performance of the scientific applications running in the cloud. This paper aims to assess the ability of the cloud to perform well, as well as to evaluate the cost of the cloud running scientific applications. We developed a full set of metrics and conducted a comprehensive performance evlauation over the Amazon cloud. We evaluated EC2, S3, EBS and DynamoDB among the many Amazon AWS services. We evaluated the memory sub-system performance with CacheBench, the network performance with iperf, processor and network performance with the HPL benchmark application, and shared storage with NFS and PVFS in addition to S3. We also evaluated a real scientific computing application through the Swift parallel scripting system at scale. Armed with both detailed benchmarks to gauge expected performance and a detailed monetary cost analysis, we expect this paper will be a recipe cookbook for scientists to help them decide where to deploy and run their scientific applications between public clouds, private clouds, or hybrid clouds.

97 MATHEMATICS AND COMPUTING↗

Cloud computing method for dynamically scaling a process across physical machine boundaries

A cloud computing platform includes first device having a graph or tree structure with a node which receives data. The data is processed by the node or communicated to a child node for processing. A first node in the graph or tree structure determines the reconfiguration of a portion of the graph or tree structure on a second device. The reconfiguration may include moving a second node and some or all of its descendant nodes. The second and descendant nodes may be copied to the second device.

Gillen, Robert E.↗

Snowmass Letter of Interest - Cloud Computing - CompF4

The world currently spends more than $30B per quarter on the consumption of Cloud Computing services. This is 17 times the size of the entire FY20 budget for the Office of Science at the Department of Energy. These resources have been successfully used for scientific computing in HEP and elsewhere under a pay-as-you-go model where users are billed monthly based on the resources they have consumed. There are a wide range of Cloud services, but we categorize them into “capability” and “capacity”. Capability services represent a unique set of features that we have not provisioned on-premises for a variety of reasons (cost-effectiveness, power consumption, proprietary solutions, etc.) Capacity services are services that allow us to scale out commodity services; historically we have focused on high-throughput (batch) computing.

97 MATHEMATICS AND COMPUTING↗

XaaS: Acceleration as a Service to Enable Productive High-Performance Cloud Computing

High-performance computing (HPC) and the cloud have evolved independently, specializing their innovations into performance or productivity. Acceleration as a Service (XaaS) is a recipe to empower both fields with a shared execution platform that provides transparent access to computing resources, regardless of the underlying cloud or HPC service provider. Bridging HPC and cloud advancements, XaaS presents a unified architecture built on performance-portable containers. Here, our converged model concentrates on low-overhead, high-performance communication and computing, targeting resource-intensive workloads from climate simulations to machine learning. XaaS lifts the restricted allocation model of Function as a Service (FaaS), allowing users to benefit from the flexibility and efficient resource utilization of serverless computing while supporting long-running and performance-sensitive workloads from HPC.

97 MATHEMATICS AND COMPUTING↗

Regulators’ Financial Toolbox: Leveraging Software as a Service, Cloud Computing, and Artificial Intelligence in Electric Utilities

The rapid evolution of Software as a Service (SaaS), cloud computing, and artificial intelligence (AI) is transforming the electric utility industry, reshaping operations, customer engagement, and financial models. This webinar introduced how utilities can deploy advanced software solutions and AI-driven analytics to improve grid efficiency, optimize asset management, and accurately forecast demand.

Bartlett, Phillip↗

Cloud Computing Strategic Framework (FY13 - FY15)

This document presents an architectural framework (plan) and roadmap for the implementation of a robust Cloud Computing capability at Sandia National Laboratories. It is intended to be a living document and serve as the basis for detailed implementation plans, project proposals and strategic investment requests.

Arellano, Lawrence R.↗

Reinspection of a Clinical Proteomics Tumor Analysis Consortium (CPTAC) Dataset with Cloud Computing Reveals Abundant Post-Translational Modifications and Protein Sequence Variants

The Clinical Proteomic Tumor Analysis Consortium (CPTAC) has provided some of the most in-depth analyses of the phenotypes of human tumors ever constructed. Today, the majority of proteomic data analysis is still performed using software housed on desktop computers which limits the number of sequence variants and post-translational modifications that can be considered. The original CPTAC studies limited the search for PTMs to only samples that were chemically enriched for those modified peptides. Similarly, the only sequence variants considered were those with strong evidence at the exon or transcript level. In this multi-institutional collaborative reanalysis, we utilized unbiased protein databases containing millions of human sequence variants in conjunction with hundreds of common post-translational modifications. Using these tools, we identified tens of thousands of high-confidence PTMs and sequence variants. We identified 4132 phosphorylated peptides in nonenriched samples, 93% of which were confirmed in the samples which were chemically enriched for phosphopeptides. In addition, our results also cover 90% of the high-confidence variants reported by the original proteogenomics study, without the need for sample specific next-generation sequencing. Finally, we report fivefold more somatic and germline variants that have an independent evidence at the peptide level, including mutations in ERRB2 and BCAS1. In this reanalysis of CPTAC proteomic data with cloud computing, we present an openly available and searchable web resource of the highest-coverage proteomic profiling of human tumors described to date.

60 APPLIED LIFE SCIENCES↗

DOE site remedial management optimization utilizing on the cloud computing systems - 15676

Environmental cleanups at complex sites necessarily address many competing demands and answer questions such as: 'What is the best way and in a sustainable manner to minimize risk to human health and the environment during active restoration efforts and/or long term legacy management, while incorporating parameter uncertainty, management considerations, and stakeholder concerns into the process?' Physics Based Management Optimization (PBMO{sup TM}) provides a means to answer such questions. 'Physics Based' indicates incorporation of numerically computed groundwater flow and transport processes into the analysis. This enables optimal remedy design based on comprehensive mass removal/destruction metrics and optimal monitoring strategies. 'Management Optimization' indicates the ability to incorporate objective functions (e.g., management constraints, sustainability considerations) into the evaluation. PBMO{sup TM} components have been successfully implemented for optimal plume delineation (points of compliance) and monitoring, for optimal system design and to optimize existing active treatment systems in the US at multiple DOE, DOD and industrial sites since the mid 1990's. PBMO{sup TM} has been recently extended and implemented on multi-core, multi-CPU grid computing systems including computational clusters, local area networks and the Cloud. This extension allows for increased flexibility and adaptation of computational resources which can now support optimal remedy design and long term management strategies for complex soil and groundwater sites. In the PBMO{sup TM} -Grid case study, we evaluate flow and transport for a typical optimization search for a realistic project against sequential optimization. PBMO{sup TM}-Grid reduces the CPU time required to solve the optimization problem by more than a factor of 14 X compared to sequential optimization. PBMO{sup TM}-Grid can be deployed for deterministic or stochastic optimization and formally computes design risk and predicted degree of remedial action success. The numerical models used can consist of a single 'mega' model (aka a monolith), or a mixture of models and other calculations or expert systems. PBMO{sup T}M-Grid integrates the computational models in a seamless manner, and models run on the Cloud can be implemented in Windows or Linux platforms. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Evolving the Land Information System into a Cloud Computing Service

The Land Information System (LIS) was developed to use advanced flexible land surface modeling and data assimilation frameworks to integrate extremely large satellite- and ground-based observations with advanced land surface models to produce continuous high-resolution fields of land surface states and fluxes. The resulting fields are extremely useful for drought and flood assessment, agricultural planning, disaster management, weather and climate forecasting, water resources assessment, and the like. We envisioned transforming the LIS modeling system into a scientific cloud computing-aware web and data service that would allow clients to easily setup and configure for use in addressing large water management issues. The focus of this Phase 1 project was to determine the scientific, technical, commercial merit and feasibility of the proposed LIS-cloud innovations that are currently barriers to broad LIS applicability. We (a) quantified the barriers to broad LIS utility and commercialization (high performance computing, big data, user interface, and licensing issues); (b) designed the proposed LIS-cloud web service, model-data interface, database services, and user interfaces; (c) constructed a prototype LIS user interface including abstractions for simulation control, visualization, and data interaction, (d) used the prototype to conduct a market analysis and survey to determine potential market size and competition, (e) identified LIS software licensing and copyright limitations and developed solutions, and (f) developed a business plan for development and marketing of the LIS-cloud innovation. While some significant feasibility issues were found in the LIS licensing, overall a high degree of LIS-cloud technical feasibility was found.

54 ENVIRONMENTAL SCIENCES↗

Interactive Quantum Chemistry Enabled by Machine Learning, Graphical Processing Units, and Cloud Computing

Modern quantum chemistry algorithms are increasingly able to accurately predict molecular properties that are useful for chemists in research and education. Despite this progress, performing such calculations is currently unattainable to the wider chemistry community, as they often require domain expertise, computer programming skills, and powerful computer hardware. In this review, we outline methods to eliminate these barriers using cutting-edge technologies. We discuss the ingredients needed to create accessible platforms that can compute quantum chemistry properties in real time, including graphical processing units–accelerated quantum chemistry in the cloud, artificial intelligence–driven natural molecule input methods, and extended reality visualization. We end by highlighting a series of exciting applications that assemble these components to create uniquely interactive platforms for computing and visualizing spectra, 3D structures, molecular orbitals, and many other chemical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗