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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 145 records · Page 8

Construction of Blaze at the University of Illinois at Chicago: A Shared, High-Performance, Visual Computer for Next-Generation Cyberinfrastructure-Accelerated Scientific, Engineering, Medical and Public Policy Research

The Blaze high-performance visual computing system serves the high-performance computing research and education needs of University of Illinois at Chicago (UIC). Blaze consists of a state-of-the-art, networked, computer cluster and ultra-high-resolution visualization system called CAVE2(TM) that is currently not available anywhere in Illinois. This system is connected via a high-speed 100-Gigabit network to the State of Illinois' I-WIRE optical network, as well as to national and international high speed networks, such as the Internet2, and the Global Lambda Integrated Facility. This enables Blaze to serve as an on-ramp to national cyberinfrastructure, such as the National Science Foundation’s Blue Waters petascale computer at the National Center for Supercomputing Applications at the University of Illinois at Chicago and the Department of Energy’s Argonne Leadership Computing Facility (ALCF) at Argonne National Laboratory. DOE award # DE-SC005067, leveraged with NSF award #CNS-0959053 for “Development of the Next-Generation CAVE Virtual Environment (NG-CAVE),” enabled us to create a first-of-its-kind high-performance visual computing system. The UIC Electronic Visualization Laboratory (EVL) worked with two U.S. companies to advance their commercial products and maintain U.S. leadership in the global information technology economy. New applications are being enabled with the CAVE2/Blaze visual computing system that is advancing scientific research and education in the U.S. and globally, and help train the next-generation workforce.

47 OTHER INSTRUMENTATION↗

Pickaxe: a Python library for the prediction of novel metabolic reactions

Abstract Background Biochemical reaction prediction tools leverage enzymatic promiscuity rules to generate reaction networks containing novel compounds and reactions. The resulting reaction networks can be used for multiple applications such as designing novel biosynthetic pathways and annotating untargeted metabolomics data. It is vital for these tools to provide a robust, user-friendly method to generate networks for a given application. However, existing tools lack the flexibility to easily generate networks that are tailor-fit for a user’s application due to lack of exhaustive reaction rules, restriction to pre-computed networks, and difficulty in using the software due to lack of documentation. Results Here we present Pickaxe, an open-source, flexible software that provides a user-friendly method to generate novel reaction networks. This software iteratively applies reaction rules to a set of metabolites to generate novel reactions. Users can select rules from the prepackaged JN1224min ruleset, derived from MetaCyc, or define their own custom rules. Additionally, filters are provided which allow for the pruning of a network on-the-fly based on compound and reaction properties. The filters include chemical similarity to target molecules, metabolomics, thermodynamics, and reaction feasibility filters. Example applications are given to highlight the capabilities of Pickaxe: the expansion of common biological databases with novel reactions, the generation of industrially useful chemicals from a yeast metabolome database, and the annotation of untargeted metabolomics peaks from an E. coli dataset. Conclusion Pickaxe predicts novel metabolic reactions and compounds, which can be used for a variety of applications. This software is open-source and available as part of the MINE Database python package ( https://pypi.org/project/minedatabase/ ) or on GitHub ( https://github.com/tyo-nu/MINE-Database ). Documentation and examples can be found on Read the Docs ( https://mine-database.readthedocs.io/en/latest/ ). Through its documentation, pre-packaged features, and customizable nature, Pickaxe allows users to generate novel reaction networks tailored to their application.

59 BASIC BIOLOGICAL SCIENCES↗

Utilizing Weak Indicators to Detect Anomalous Behaviors in Networks

We consider the use of a novel weak in- dicator alongside more commonly used weak indicators to help detect anomalous behavior in a large computer network. The data of the network which we are studying in this research paper concerns remote log-in information (Virtual Private Network, or VPN sessions) from the internal network of Los Alamos National Laboratory (LANL). The novel indicator we are utilizing is some- thing which, while novel in its application to data science/cyber security research, is a concept borrowed from the business world. The Her ndahl-Hirschman Index (HHI) is a computationally trivial index which provides a useful heuristic for regulatory agencies to ascertain the relative competitiveness of a particular industry. Using this index as a lagging indicator in the monthly format we have studied could help to detect anomalous behavior by a particular or small set of users on the network.

97 MATHEMATICS AND COMPUTING↗

Carnac for Emulytics (HPC Annual Report V.1.0)

Carnac, located at Sandia's California site, is an institutional cluster for Emulytics that provides security researchers with resources to model enterprise computer networks and evaluate how resilient they are from attacks. While multiple Emulytics cluster computers have been built at Sandia, Carnac is the first system that was developed as an institutional resource that can be shared among different groups with disparate requirements.

97 MATHEMATICS AND COMPUTING↗

Situ: Identifying and Explaining Suspicious Behavior in Networks

Despite the best efforts of cyber security analysts, networked computing assets are routinely compromised, resulting in the loss of intellectual property, the disclosure of state secrets, and major financial damages. Anomaly detection methods are beneficial for detecting new types of attacks and abnormal network activity, but such algorithms can be difficult to understand and trust. Network operators and cyber analysts need fast and scalable tools to help identify suspicious behavior that bypasses automated security systems, but operators do not want another automated tool with algorithms they do not trust. Experts need tools to augment their own domain expertise and to provide a contextual understanding of suspicious behavior to help them make decisions. In this paper we present Situ, a visual analytics system for discovering suspicious behavior in streaming network data. Situ provides a scalable solution that combines anomaly detection with information visualization. The system's visualizations enable operators to identify and investigate the most anomalous events and IP addresses, and the tool provides context to help operators understand why they are anomalous. Finally, operators need tools that can be integrated into their workflow and with their existing tools. This paper describes the Situ platform and its deployment in an operational network setting. Furthermore, we discuss how operators are currently using the tool in a large organization's security operations center and present the results of expert reviews with professionals.

97 MATHEMATICS AND COMPUTING↗

Utilizing Weak Indicators to Detect Anomalous Behaviors in Networks

We consider the use of a novel weak in- dicator alongside more commonly used weak indicators to help detect anomalous behavior in a large computer network. The data of the network which we are studying in this research paper concerns remote log-in information (Virtual Private Network, or VPN sessions) from the internal network of Los Alamos National Laboratory (LANL). The novel indicator we are utilizing is some- thing which, while novel in its application to data science/cyber security research, is a concept borrowed from the business world. The Her ndahl-Hirschman Index (HHI) is a computationally trivial index which provides a useful heuristic for regulatory agencies to ascertain the relative competitiveness of a particular industry. Using this index as a lagging indicator in the monthly format we have studied could help to detect anomalous behavior by a particular or small set of users on the network. Additionally, we study indicators related to the speed of movement of a user based on the physical location of their current and previous logins. This data can be ascertained from the IP addresses of the users, and is likely very similar to the fraud detection schemes regularly utilized by credit card networks to detect anomalous activity. In future work we would look to nd a way to combine these indicators for use as an internal fraud detection system.

97 MATHEMATICS AND COMPUTING↗

Exploratory analysis and performance prediction of big data transfer in High-performance Networks

Big data transfer in large-scale scientific and business applications is increasingly carried out over connections with guaranteed bandwidth provisioned in High-performance Networks (HPNs) via advance bandwidth reservation. Provisioning agents need to carefully schedule data transfer requests, compute network paths, and allocate appropriate bandwidths. Such reserved bandwidths, if not fully utilized, could be simply wasted due to the exclusive access during the approved time window, and cause extra overhead and complexity for resource management. This calls for accurate performance prediction to reserve bandwidths that match actual needs and avoid over-provisioning. We employ machine learning algorithms to predict big data transfer performance based on extensive performance measurements collected in the past several years from data transfer tests using different protocols and toolkits between various end sites on several real-life physical or emulated testbeds. We first analyze the performance patterns in response to a comprehensive list of parameters in end-host systems, network connections, and data transfer applications, which motivate the use of machine learning and also help us identify the effects of latent factors. We then propose threshold- and clustering-based methods to eliminate negative effects of latent factors in data preprocessing and build a robust performance predictor based on customized domain-oriented loss functions. The performance of the proposed methods is verified by extensive experiments using SVR and RFR as well as theoretical analysis of the general performance bound.

97 MATHEMATICS AND COMPUTING↗

A Multi-Objective Approach for Optimizing Edge-Based Resource Allocation Using TOPSIS

Existing approaches for allocating resources on edge environments are inefficient and lack the support of heterogeneous edge devices, which in turn fail to optimize the dependency on cloud infrastructures or datacenters. To this extent, we propose in this paper OpERA, a multi-layered edge-based resource allocation optimization framework that supports heterogeneous and seamless execution of offloadable tasks across edge, fog, and cloud computing layers and architectures. By capturing offloadable task requirements, OpERA is capable of identifying suitable resources within nearby edge or fog layers, thus optimizing the execution process. Throughout the paper, we present results which show the effectiveness of our proposed optimization strategy in terms of reducing costs, minimizing energy consumption, and promoting other residual gains in terms of processing computations, network bandwidth, and task execution time. We also demonstrate that by optimizing resource allocation in computation offloading, it is then possible to increase the likelihood of successful task offloading, particularly for computationally intensive tasks that are becoming integral as part of many IoT applications such robotic surgery, autonomous driving, smart city monitoring device grids, and deep learning tasks. The evaluation of our OpERA optimization algorithm reveals that the TOPSIS MCDM technique effectively identifies optimal compute resources for processing offloadable tasks, with a 96% success rate. Moreover, the results from our experiments with a diverse range of use cases show that our OpERA optimization strategy can effectively reduce energy consumption by up to 88%, and operational costs by 76%, by identifying relevant compute resources.

97 MATHEMATICS AND COMPUTING↗

Providing full point-to-point communications among compute nodes of an operational group in a global combining network of a parallel computer

Methods, apparatus, and products are disclosed for providing full point-to-point communications among compute nodes of an operational group in a global combining network of a parallel computer, each compute node connected to each adjacent compute node in the global combining network through a link, that include: receiving a network packet in a compute node, the network packet specifying a destination compute node; selecting, in dependence upon the destination compute node, at least one of the links for the compute node along which to forward the network packet toward the destination compute node; and forwarding the network packet along the selected link to the adjacent compute node connected to the compute node through the selected link.

97 MATHEMATICS AND COMPUTING↗

Providing full point-to-point communications among compute nodes of an operational group in a global combining network of a parallel computer

Methods, apparatus, and products are disclosed for providing full point-to-point communications among compute nodes of an operational group in a global combining network of a parallel computer, each compute node connected to each adjacent compute node in the global combining network through a link, that include: receiving a network packet in a compute node, the network packet specifying a destination compute node; selecting, in dependence upon the destination compute node, at least one of the links for the compute node along which to forward the network packet toward the destination compute node; and forwarding the network packet along the selected link to the adjacent compute node connected to the compute node through the selected link.

97 MATHEMATICS AND COMPUTING↗

HPC and Cloud Convergence Beyond Technical Boundaries: Strategies for Economic Sustainability, Standardization, and Data Accessibility

At the IEEE/ACM International Conference for High-Performance Computing, Networking, Storage, and Analysis (SC23), held in Denver, experts discussed the convergence of high-performance computing and cloud computing. Experts explored how this integration could address current scientific computing limitations, enhance computational capabilities, and foster global collaboration while focusing on economic, security, technical, and community challenges and opportunities.

97 MATHEMATICS AND COMPUTING↗

Low-loss interconnects for modular superconducting quantum processors

Low-loss superconducting aluminium cables and on-chip impedance transformers can be used to link qubit modules and create superconducting quantum computing networks with high-fidelity intermodule state transfer. Scaling is now a key challenge in superconducting quantum computing. One solution is to build modular systems in which smaller-scale quantum modules are individually constructed and calibrated and then assembled into a larger architecture. This, however, requires the development of suitable interconnects. Here we report low-loss interconnects based on pure aluminium coaxial cables and on-chip impedance transformers featuring quality factors of up to 8.1 x 10 5 , which is comparable with the performance of our transmon qubits fabricated on a single-crystal sapphire substrate. We use these interconnects to link five quantum modules with intermodule quantum state transfer and Bell state fidelities of up to 99%. To benchmark the overall performance of the processor, we create maximally entangled, multiqubit Greenberger-Horne-Zeilinger states. The generated intermodule four-qubit Greenberger-Horne-Zeilinger state exhibits 92.0% fidelity. We also entangle up to 12 qubits in a Greenberger-Horne-Zeilinger state with 55.8 ± 1.8% fidelity, which is above the genuine multipartite entanglement threshold of 1/2.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

ASTROPULSE: A SEARCH FOR MICROSECOND TRANSIENT RADIO SIGNALS USING DISTRIBUTED COMPUTING. I. METHODOLOGY

We are performing a transient, microsecond timescale radio sky survey, called 'Astropulse', using the Arecibo telescope. Astropulse searches for brief (0.4 {mu}s to 204.8 {mu}s ), wideband (relative to its 2.5 MHz bandwidth) radio pulses centered at 1420 MHz. Astropulse is a commensal (piggyback) survey, and scans the sky between declinations of -1. Degree-Sign 33 and 38. Degree-Sign 03. We obtained 1540 hr of data in each of seven beams of the ALFA receiver, with two polarizations per beam. The data are one-bit complex sampled at the Nyquist limit of 0.4 {mu}s per sample. Examination of timescales on the order of microseconds is possible because we used coherent dedispersion, a technique that has frequently been used for targeted observations, but has never been associated with a radio sky survey. The more usual technique, incoherent dedispersion, cannot resolve signals below a minimum timescale which depends on the signal's dispersion measure (DM) and frequency. However, coherent dedispersion requires more intensive computation than incoherent dedispersion. The required processing power was provided by BOINC, the Berkeley Open Infrastructure for Network Computing. BOINC is a distributed computing system, allowing us to utilize hundreds of thousands of volunteers' computers to perform the necessary calculations for coherent dedispersion. Astrophysical events that might produce brief radio pulses include giant pulses from pulsars, rotating radio transients, exploding primordial black holes, or new sources yet to be imagined. Radio frequency interference and noise contaminate the data; these are mitigated by a number of techniques including multi-polarization correlation, DM repetition detection, and frequency profiling.

79 ASTRONOMY AND ASTROPHYSICS↗

Stardust Network Measurement Components (esnet-stardust-components) v1

This software contains a set of components that allow us to measure and analyze the use and performance of computer networks using existing off the shelf Open Source components organized into a scalable and extensible system. The components were developed for and used within ESnet's Stardust Measurement Environment. The components are used to collect, process and display network measurement data in an architecture that employs a combination of Elasticsearch, Logstash and Grafana. The advantage of this approach is we can tailor system behavior to our analytical needs and expand its capability with new types of network measurement without waiting for a commercial vendor to support our fairly niche use cases. Additionally we have existing collaborations within our community that came about from prior research efforts that will benefit from the release of this software so that others can also contribute features.

Balas, Edward↗

SU-E-T-521: Investigation of the Uncertainties Involved in Secondary Neutron/gamma Production in Geant4/MCNP6 Monte Carlo Codes for Proton Therapy Application

Purpose: A major concern in proton therapy is the production of secondary neutrons causing secondary cancers, especially in young adults and children. Most utilized Monte Carlo codes in proton therapy are Geant4 and MCNP. However, the default versions of Geant4 and MCNP6 do not have suitable cross sections or physical models to properly handle secondary particle production in proton energy ranges used for therapy. In this study, default versions of Geant4 and MCNP6 were modified to better handle production of secondaries by adding the TENDL-2012 cross-section library. Methods: In-water proton depth-dose was measured at the “The Svedberg Laboratory” in Uppsala (Sweden). The proton beam was mono-energetic with mean energy of 178.25±0.2 MeV. The measurement set-up was simulated by Geant4 version 10.00 (default and modified version) and MCNP6. Proton depth-dose, primary and secondary particle fluence and neutron equivalent dose were calculated. In case of Geant4, the secondary particle fluence was filtered by all the physics processes to identify the main process responsible for the difference between the default and modified version. Results: The proton depth-dose curves and primary proton fluence show a good agreement between both Geant4 versions and MCNP6. With respect to the modified version, default Geant4 underestimates the production of secondary neutrons while overestimates that of gammas. The “ProtonInElastic” process was identified as the main responsible process for the difference between the two versions. MCNP6 shows higher neutron production and lower gamma production than both Geant4 versions. Conclusion: Despite the good agreement on the proton depth dose curve and primary proton fluence, there is a significant discrepancy on secondary neutron production between MCNP6 and both versions of Geant4. Further studies are thus in order to find the possible cause of this discrepancy or more accurate cross-sections/models to handle the nuclear interactions of protons with energy ranges used for therapy. NSERC-CRSNG’ CREATE Medical Physics Research Training Network compute calcul CANADA; McGill University health center research institute the fast foundation; LM acknowledges partial support by the CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering; Research Council Grant number 432290.

60 APPLIED LIFE SCIENCES↗

CoDA 2014 special issue: Exploring data-focused research across the department of energy: Editorial

Here, this collection of papers, written by researchers at the national labs, in academia, and in industry present real problems, massive and complex datasets, and novel statistical approaches motivated by the challenges presented by experimental and computational science. You'll find explorations of the trajectories of aircraft and of the light curves of supernovae, of computer network intrusions and of nuclear forensics, of photovoltaics and overhead imagery.

97 MATHEMATICS AND COMPUTING↗

Providing nearest neighbor point-to-point communications among compute nodes of an operational group in a global combining network of a parallel computer

Methods, apparatus, and products are disclosed for providing nearest neighbor point-to-point communications among compute nodes of an operational group in a global combining network of a parallel computer, each compute node connected to each adjacent compute node in the global combining network through a link, that include: identifying each link in the global combining network for each compute node of the operational group; designating one of a plurality of point-to-point class routing identifiers for each link such that no compute node in the operational group is connected to two adjacent compute nodes in the operational group with links designated for the same class routing identifiers; and configuring each compute node of the operational group for point-to-point communications with each adjacent compute node in the global combining network through the link between that compute node and that adjacent compute node using that link's designated class routing identifier.

97 MATHEMATICS AND COMPUTING↗

Arjun Shankar: Advancing National Missions through Smart Data

Computer scientist Arjun Shankar is director of the Compute and Data Environment for Science (CADES), ORNL’s multidisciplinary big data computing center. CADES offers computing, networking and data analytics to facilitate workflows for both ORNL and external research projects.

97 MATHEMATICS AND COMPUTING↗