A Web-based Distributed Voluntary Computing Platform for Large Scale Hydrological Computations

NASA Astrophysics Data System (ADS)

Demir, I.; Agliamzanov, R.

2014-12-01

Distributed volunteer computing can enable researchers and scientist to form large parallel computing environments to utilize the computing power of the millions of computers on the Internet, and use them towards running large scale environmental simulations and models to serve the common good of local communities and the world. Recent developments in web technologies and standards allow client-side scripting languages to run at speeds close to native application, and utilize the power of Graphics Processing Units (GPU). Using a client-side scripting language like JavaScript, we have developed an open distributed computing framework that makes it easy for researchers to write their own hydrologic models, and run them on volunteer computers. Users will easily enable their websites for visitors to volunteer sharing their computer resources to contribute running advanced hydrological models and simulations. Using a web-based system allows users to start volunteering their computational resources within seconds without installing any software. The framework distributes the model simulation to thousands of nodes in small spatial and computational sizes. A relational database system is utilized for managing data connections and queue management for the distributed computing nodes. In this paper, we present a web-based distributed volunteer computing platform to enable large scale hydrological simulations and model runs in an open and integrated environment.

Robust scalable stabilisability conditions for large-scale heterogeneous multi-agent systems with uncertain nonlinear interactions: towards a distributed computing architecture

NASA Astrophysics Data System (ADS)

Manfredi, Sabato

2016-06-01

Large-scale dynamic systems are becoming highly pervasive in their occurrence with applications ranging from system biology, environment monitoring, sensor networks, and power systems. They are characterised by high dimensionality, complexity, and uncertainty in the node dynamic/interactions that require more and more computational demanding methods for their analysis and control design, as well as the network size and node system/interaction complexity increase. Therefore, it is a challenging problem to find scalable computational method for distributed control design of large-scale networks. In this paper, we investigate the robust distributed stabilisation problem of large-scale nonlinear multi-agent systems (briefly MASs) composed of non-identical (heterogeneous) linear dynamical systems coupled by uncertain nonlinear time-varying interconnections. By employing Lyapunov stability theory and linear matrix inequality (LMI) technique, new conditions are given for the distributed control design of large-scale MASs that can be easily solved by the toolbox of MATLAB. The stabilisability of each node dynamic is a sufficient assumption to design a global stabilising distributed control. The proposed approach improves some of the existing LMI-based results on MAS by both overcoming their computational limits and extending the applicative scenario to large-scale nonlinear heterogeneous MASs. Additionally, the proposed LMI conditions are further reduced in terms of computational requirement in the case of weakly heterogeneous MASs, which is a common scenario in real application where the network nodes and links are affected by parameter uncertainties. One of the main advantages of the proposed approach is to allow to move from a centralised towards a distributed computing architecture so that the expensive computation workload spent to solve LMIs may be shared among processors located at the networked nodes, thus increasing the scalability of the approach than the network size. Finally, a numerical example shows the applicability of the proposed method and its advantage in terms of computational complexity when compared with the existing approaches.

A Parallel Sliding Region Algorithm to Make Agent-Based Modeling Possible for a Large-Scale Simulation: Modeling Hepatitis C Epidemics in Canada.

PubMed

Wong, William W L; Feng, Zeny Z; Thein, Hla-Hla

2016-11-01

Agent-based models (ABMs) are computer simulation models that define interactions among agents and simulate emergent behaviors that arise from the ensemble of local decisions. ABMs have been increasingly used to examine trends in infectious disease epidemiology. However, the main limitation of ABMs is the high computational cost for a large-scale simulation. To improve the computational efficiency for large-scale ABM simulations, we built a parallelizable sliding region algorithm (SRA) for ABM and compared it to a nonparallelizable ABM. We developed a complex agent network and performed two simulations to model hepatitis C epidemics based on the real demographic data from Saskatchewan, Canada. The first simulation used the SRA that processed on each postal code subregion subsequently. The second simulation processed the entire population simultaneously. It was concluded that the parallelizable SRA showed computational time saving with comparable results in a province-wide simulation. Using the same method, SRA can be generalized for performing a country-wide simulation. Thus, this parallel algorithm enables the possibility of using ABM for large-scale simulation with limited computational resources.

Sound production due to large-scale coherent structures

NASA Technical Reports Server (NTRS)

Gatski, T. B.

1979-01-01

The acoustic pressure fluctuations due to large-scale finite amplitude disturbances in a free turbulent shear flow are calculated. The flow is decomposed into three component scales; the mean motion, the large-scale wave-like disturbance, and the small-scale random turbulence. The effect of the large-scale structure on the flow is isolated by applying both a spatial and phase average on the governing differential equations and by initially taking the small-scale turbulence to be in energetic equilibrium with the mean flow. The subsequent temporal evolution of the flow is computed from global energetic rate equations for the different component scales. Lighthill's theory is then applied to the region with the flowfield as the source and an observer located outside the flowfield in a region of uniform velocity. Since the time history of all flow variables is known, a minimum of simplifying assumptions for the Lighthill stress tensor is required, including no far-field approximations. A phase average is used to isolate the pressure fluctuations due to the large-scale structure, and also to isolate the dynamic process responsible. Variation of mean square pressure with distance from the source is computed to determine the acoustic far-field location and decay rate, and, in addition, spectra at various acoustic field locations are computed and analyzed. Also included are the effects of varying the growth and decay of the large-scale disturbance on the sound produced.

A novel computational approach towards the certification of large-scale boson sampling

NASA Astrophysics Data System (ADS)

Huh, Joonsuk

Recent proposals of boson sampling and the corresponding experiments exhibit the possible disproof of extended Church-Turning Thesis. Furthermore, the application of boson sampling to molecular computation has been suggested theoretically. Till now, however, only small-scale experiments with a few photons have been successfully performed. The boson sampling experiments of 20-30 photons are expected to reveal the computational superiority of the quantum device. A novel theoretical proposal for the large-scale boson sampling using microwave photons is highly promising due to the deterministic photon sources and the scalability. Therefore, the certification protocol of large-scale boson sampling experiments should be presented to complete the exciting story. We propose, in this presentation, a computational protocol towards the certification of large-scale boson sampling. The correlations of paired photon modes and the time-dependent characteristic functional with its Fourier component can show the fingerprint of large-scale boson sampling. This work was supported by Basic Science Research Program through the National Research Foundation of Korea(NRF) funded by the Ministry of Education, Science and Technology(NRF-2015R1A6A3A04059773), the ICT R&D program of MSIP/IITP [2015-019, Fundamental Research Toward Secure Quantum Communication] and Mueunjae Institute for Chemistry (MIC) postdoctoral fellowship.

Megatux

DOE Office of Scientific and Technical Information (OSTI.GOV)

2012-09-25

The Megatux platform enables the emulation of large scale (multi-million node) distributed systems. In particular, it allows for the emulation of large-scale networks interconnecting a very large number of emulated computer systems. It does this by leveraging virtualization and associated technologies to allow hundreds of virtual computers to be hosted on a single moderately sized server or workstation. Virtualization technology provided by modern processors allows for multiple guest OSs to run at the same time, sharing the hardware resources. The Megatux platform can be deployed on a single PC, a small cluster of a few boxes or a large clustermore » of computers. With a modest cluster, the Megatux platform can emulate complex organizational networks. By using virtualization, we emulate the hardware, but run actual software enabling large scale without sacrificing fidelity.« less

Large-scale Labeled Datasets to Fuel Earth Science Deep Learning Applications

NASA Astrophysics Data System (ADS)

Maskey, M.; Ramachandran, R.; Miller, J.

2017-12-01

Deep learning has revolutionized computer vision and natural language processing with various algorithms scaled using high-performance computing. However, generic large-scale labeled datasets such as the ImageNet are the fuel that drives the impressive accuracy of deep learning results. Large-scale labeled datasets already exist in domains such as medical science, but creating them in the Earth science domain is a challenge. While there are ways to apply deep learning using limited labeled datasets, there is a need in the Earth sciences for creating large-scale labeled datasets for benchmarking and scaling deep learning applications. At the NASA Marshall Space Flight Center, we are using deep learning for a variety of Earth science applications where we have encountered the need for large-scale labeled datasets. We will discuss our approaches for creating such datasets and why these datasets are just as valuable as deep learning algorithms. We will also describe successful usage of these large-scale labeled datasets with our deep learning based applications.

Using stroboscopic flow imaging to validate large-scale computational fluid dynamics simulations

NASA Astrophysics Data System (ADS)

Laurence, Ted A.; Ly, Sonny; Fong, Erika; Shusteff, Maxim; Randles, Amanda; Gounley, John; Draeger, Erik

2017-02-01

The utility and accuracy of computational modeling often requires direct validation against experimental measurements. The work presented here is motivated by taking a combined experimental and computational approach to determine the ability of large-scale computational fluid dynamics (CFD) simulations to understand and predict the dynamics of circulating tumor cells in clinically relevant environments. We use stroboscopic light sheet fluorescence imaging to track the paths and measure the velocities of fluorescent microspheres throughout a human aorta model. Performed over complex physiologicallyrealistic 3D geometries, large data sets are acquired with microscopic resolution over macroscopic distances.

Development and Applications of a Modular Parallel Process for Large Scale Fluid/Structures Problems

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.; Kwak, Dochan (Technical Monitor)

2002-01-01

A modular process that can efficiently solve large scale multidisciplinary problems using massively parallel supercomputers is presented. The process integrates disciplines with diverse physical characteristics by retaining the efficiency of individual disciplines. Computational domain independence of individual disciplines is maintained using a meta programming approach. The process integrates disciplines without affecting the combined performance. Results are demonstrated for large scale aerospace problems on several supercomputers. The super scalability and portability of the approach is demonstrated on several parallel computers.

Exploring Cloud Computing for Large-scale Scientific Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Guang; Han, Binh; Yin, Jian

This paper explores cloud computing for large-scale data-intensive scientific applications. Cloud computing is attractive because it provides hardware and software resources on-demand, which relieves the burden of acquiring and maintaining a huge amount of resources that may be used only once by a scientific application. However, unlike typical commercial applications that often just requires a moderate amount of ordinary resources, large-scale scientific applications often need to process enormous amount of data in the terabyte or even petabyte range and require special high performance hardware with low latency connections to complete computation in a reasonable amount of time. To address thesemore » challenges, we build an infrastructure that can dynamically select high performance computing hardware across institutions and dynamically adapt the computation to the selected resources to achieve high performance. We have also demonstrated the effectiveness of our infrastructure by building a system biology application and an uncertainty quantification application for carbon sequestration, which can efficiently utilize data and computation resources across several institutions.« less

Grid-Enabled Quantitative Analysis of Breast Cancer

DTIC Science & Technology

2010-10-01

large-scale, multi-modality computerized image analysis . The central hypothesis of this research is that large-scale image analysis for breast cancer...research, we designed a pilot study utilizing large scale parallel Grid computing harnessing nationwide infrastructure for medical image analysis . Also

Advances and trends in computational structural mechanics

NASA Technical Reports Server (NTRS)

Noor, A. K.

1986-01-01

Recent developments in computational structural mechanics are reviewed with reference to computational needs for future structures technology, advances in computational models for material behavior, discrete element technology, assessment and control of numerical simulations of structural response, hybrid analysis, and techniques for large-scale optimization. Research areas in computational structural mechanics which have high potential for meeting future technological needs are identified. These include prediction and analysis of the failure of structural components made of new materials, development of computational strategies and solution methodologies for large-scale structural calculations, and assessment of reliability and adaptive improvement of response predictions.

Adjoint-Based Aerodynamic Design of Complex Aerospace Configurations

NASA Technical Reports Server (NTRS)

Nielsen, Eric J.

2016-01-01

An overview of twenty years of adjoint-based aerodynamic design research at NASA Langley Research Center is presented. Adjoint-based algorithms provide a powerful tool for efficient sensitivity analysis of complex large-scale computational fluid dynamics (CFD) simulations. Unlike alternative approaches for which computational expense generally scales with the number of design parameters, adjoint techniques yield sensitivity derivatives of a simulation output with respect to all input parameters at the cost of a single additional simulation. With modern large-scale CFD applications often requiring millions of compute hours for a single analysis, the efficiency afforded by adjoint methods is critical in realizing a computationally tractable design optimization capability for such applications.

The Computing and Data Grid Approach: Infrastructure for Distributed Science Applications

NASA Technical Reports Server (NTRS)

Johnston, William E.

2002-01-01

With the advent of Grids - infrastructure for using and managing widely distributed computing and data resources in the science environment - there is now an opportunity to provide a standard, large-scale, computing, data, instrument, and collaboration environment for science that spans many different projects and provides the required infrastructure and services in a relatively uniform and supportable way. Grid technology has evolved over the past several years to provide the services and infrastructure needed for building 'virtual' systems and organizations. We argue that Grid technology provides an excellent basis for the creation of the integrated environments that can combine the resources needed to support the large- scale science projects located at multiple laboratories and universities. We present some science case studies that indicate that a paradigm shift in the process of science will come about as a result of Grids providing transparent and secure access to advanced and integrated information and technologies infrastructure: powerful computing systems, large-scale data archives, scientific instruments, and collaboration tools. These changes will be in the form of services that can be integrated with the user's work environment, and that enable uniform and highly capable access to these computers, data, and instruments, regardless of the location or exact nature of these resources. These services will integrate transient-use resources like computing systems, scientific instruments, and data caches (e.g., as they are needed to perform a simulation or analyze data from a single experiment); persistent-use resources. such as databases, data catalogues, and archives, and; collaborators, whose involvement will continue for the lifetime of a project or longer. While we largely address large-scale science in this paper, Grids, particularly when combined with Web Services, will address a broad spectrum of science scenarios. both large and small scale.

DIALOG: An executive computer program for linking independent programs

NASA Technical Reports Server (NTRS)

Glatt, C. R.; Hague, D. S.; Watson, D. A.

1973-01-01

A very large scale computer programming procedure called the DIALOG executive system was developed for the CDC 6000 series computers. The executive computer program, DIALOG, controls the sequence of execution and data management function for a library of independent computer programs. Communication of common information is accomplished by DIALOG through a dynamically constructed and maintained data base of common information. Each computer program maintains its individual identity and is unaware of its contribution to the large scale program. This feature makes any computer program a candidate for use with the DIALOG executive system. The installation and uses of the DIALOG executive system are described.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trujillo, Angelina Michelle

Strategy, Planning, Acquiring- very large scale computing platforms come and go and planning for immensely scalable machines often precedes actual procurement by 3 years. Procurement can be another year or more. Integration- After Acquisition, machines must be integrated into the computing environments at LANL. Connection to scalable storage via large scale storage networking, assuring correct and secure operations. Management and Utilization – Ongoing operations, maintenance, and trouble shooting of the hardware and systems software at massive scale is required.

Architecture and Programming Models for High Performance Intensive Computation

DTIC Science & Technology

2016-06-29

Applications Systems and Large-Scale-Big-Data & Large-Scale-Big-Computing (DDDAS- LS ). ICCS 2015, June 2015. Reykjavk, Ice- land. 2. Bo YT, Wang P, Guo ZL...The Mahali project,” Communications Magazine , vol. 52, pp. 111–133, Aug 2014. 14 DISTRIBUTION A: Distribution approved for public release. Response ID

The large scale microelectronics Computer-Aided Design and Test (CADAT) system

NASA Technical Reports Server (NTRS)

Gould, J. M.

1978-01-01

The CADAT system consists of a number of computer programs written in FORTRAN that provide the capability to simulate, lay out, analyze, and create the artwork for large scale microelectronics. The function of each software component of the system is described with references to specific documentation for each software component.

Large-scale optimization-based non-negative computational framework for diffusion equations: Parallel implementation and performance studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Justin; Karra, Satish; Nakshatrala, Kalyana B.

It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, usedmore » for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Furthermore, our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.« less

Large-scale optimization-based non-negative computational framework for diffusion equations: Parallel implementation and performance studies

DOE PAGES

Chang, Justin; Karra, Satish; Nakshatrala, Kalyana B.

2016-07-26

It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, usedmore » for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Furthermore, our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.« less

Applications of large-scale density functional theory in biology

NASA Astrophysics Data System (ADS)

Cole, Daniel J.; Hine, Nicholas D. M.

2016-10-01

Density functional theory (DFT) has become a routine tool for the computation of electronic structure in the physics, materials and chemistry fields. Yet the application of traditional DFT to problems in the biological sciences is hindered, to a large extent, by the unfavourable scaling of the computational effort with system size. Here, we review some of the major software and functionality advances that enable insightful electronic structure calculations to be performed on systems comprising many thousands of atoms. We describe some of the early applications of large-scale DFT to the computation of the electronic properties and structure of biomolecules, as well as to paradigmatic problems in enzymology, metalloproteins, photosynthesis and computer-aided drug design. With this review, we hope to demonstrate that first principles modelling of biological structure-function relationships are approaching a reality.

An evaluation of multi-probe locality sensitive hashing for computing similarities over web-scale query logs.

PubMed

Cormode, Graham; Dasgupta, Anirban; Goyal, Amit; Lee, Chi Hoon

2018-01-01

Many modern applications of AI such as web search, mobile browsing, image processing, and natural language processing rely on finding similar items from a large database of complex objects. Due to the very large scale of data involved (e.g., users' queries from commercial search engines), computing such near or nearest neighbors is a non-trivial task, as the computational cost grows significantly with the number of items. To address this challenge, we adopt Locality Sensitive Hashing (a.k.a, LSH) methods and evaluate four variants in a distributed computing environment (specifically, Hadoop). We identify several optimizations which improve performance, suitable for deployment in very large scale settings. The experimental results demonstrate our variants of LSH achieve the robust performance with better recall compared with "vanilla" LSH, even when using the same amount of space.

Using Agent Base Models to Optimize Large Scale Network for Large System Inventories

NASA Technical Reports Server (NTRS)

Shameldin, Ramez Ahmed; Bowling, Shannon R.

2010-01-01

The aim of this paper is to use Agent Base Models (ABM) to optimize large scale network handling capabilities for large system inventories and to implement strategies for the purpose of reducing capital expenses. The models used in this paper either use computational algorithms or procedure implementations developed by Matlab to simulate agent based models in a principal programming language and mathematical theory using clusters, these clusters work as a high performance computational performance to run the program in parallel computational. In both cases, a model is defined as compilation of a set of structures and processes assumed to underlie the behavior of a network system.

Large-scale high-throughput computer-aided discovery of advanced materials using cloud computing

NASA Astrophysics Data System (ADS)

Bazhirov, Timur; Mohammadi, Mohammad; Ding, Kevin; Barabash, Sergey

Recent advances in cloud computing made it possible to access large-scale computational resources completely on-demand in a rapid and efficient manner. When combined with high fidelity simulations, they serve as an alternative pathway to enable computational discovery and design of new materials through large-scale high-throughput screening. Here, we present a case study for a cloud platform implemented at Exabyte Inc. We perform calculations to screen lightweight ternary alloys for thermodynamic stability. Due to the lack of experimental data for most such systems, we rely on theoretical approaches based on first-principle pseudopotential density functional theory. We calculate the formation energies for a set of ternary compounds approximated by special quasirandom structures. During an example run we were able to scale to 10,656 CPUs within 7 minutes from the start, and obtain results for 296 compounds within 38 hours. The results indicate that the ultimate formation enthalpy of ternary systems can be negative for some of lightweight alloys, including Li and Mg compounds. We conclude that compared to traditional capital-intensive approach that requires in on-premises hardware resources, cloud computing is agile and cost-effective, yet scalable and delivers similar performance.

Integrating Cloud-Computing-Specific Model into Aircraft Design

NASA Astrophysics Data System (ADS)

Zhimin, Tian; Qi, Lin; Guangwen, Yang

Cloud Computing is becoming increasingly relevant, as it will enable companies involved in spreading this technology to open the door to Web 3.0. In the paper, the new categories of services introduced will slowly replace many types of computational resources currently used. In this perspective, grid computing, the basic element for the large scale supply of cloud services, will play a fundamental role in defining how those services will be provided. The paper tries to integrate cloud computing specific model into aircraft design. This work has acquired good results in sharing licenses of large scale and expensive software, such as CFD (Computational Fluid Dynamics), UG, CATIA, and so on.

Experience in using commercial clouds in CMS

NASA Astrophysics Data System (ADS)

Bauerdick, L.; Bockelman, B.; Dykstra, D.; Fuess, S.; Garzoglio, G.; Girone, M.; Gutsche, O.; Holzman, B.; Hufnagel, D.; Kim, H.; Kennedy, R.; Mason, D.; Spentzouris, P.; Timm, S.; Tiradani, A.; Vaandering, E.; CMS Collaboration

2017-10-01

Historically high energy physics computing has been performed on large purpose-built computing systems. In the beginning there were single site computing facilities, which evolved into the Worldwide LHC Computing Grid (WLCG) used today. The vast majority of the WLCG resources are used for LHC computing and the resources are scheduled to be continuously used throughout the year. In the last several years there has been an explosion in capacity and capability of commercial and academic computing clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest amongst the cloud providers to demonstrate the capability to perform large scale scientific computing. In this presentation we will discuss results from the CMS experiment using the Fermilab HEPCloud Facility, which utilized both local Fermilab resources and Amazon Web Services (AWS). The goal was to work with AWS through a matching grant to demonstrate a sustained scale approximately equal to half of the worldwide processing resources available to CMS. We will discuss the planning and technical challenges involved in organizing the most IO intensive CMS workflows on a large-scale set of virtualized resource provisioned by the Fermilab HEPCloud. We will describe the data handling and data management challenges. Also, we will discuss the economic issues and cost and operational efficiency comparison to our dedicated resources. At the end we will consider the changes in the working model of HEP computing in a domain with the availability of large scale resources scheduled at peak times.

Experience in using commercial clouds in CMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bauerdick, L.; Bockelman, B.; Dykstra, D.

Historically high energy physics computing has been performed on large purposebuilt computing systems. In the beginning there were single site computing facilities, which evolved into the Worldwide LHC Computing Grid (WLCG) used today. The vast majority of the WLCG resources are used for LHC computing and the resources are scheduled to be continuously used throughout the year. In the last several years there has been an explosion in capacity and capability of commercial and academic computing clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is amore » growing interest amongst the cloud providers to demonstrate the capability to perform large scale scientific computing. In this presentation we will discuss results from the CMS experiment using the Fermilab HEPCloud Facility, which utilized both local Fermilab resources and Amazon Web Services (AWS). The goal was to work with AWS through a matching grant to demonstrate a sustained scale approximately equal to half of the worldwide processing resources available to CMS. We will discuss the planning and technical challenges involved in organizing the most IO intensive CMS workflows on a large-scale set of virtualized resource provisioned by the Fermilab HEPCloud. We will describe the data handling and data management challenges. Also, we will discuss the economic issues and cost and operational efficiency comparison to our dedicated resources. At the end we will consider the changes in the working model of HEP computing in a domain with the availability of large scale resources scheduled at peak times.« less

Localization Algorithm Based on a Spring Model (LASM) for Large Scale Wireless Sensor Networks.

PubMed

Chen, Wanming; Mei, Tao; Meng, Max Q-H; Liang, Huawei; Liu, Yumei; Li, Yangming; Li, Shuai

2008-03-15

A navigation method for a lunar rover based on large scale wireless sensornetworks is proposed. To obtain high navigation accuracy and large exploration area, highnode localization accuracy and large network scale are required. However, thecomputational and communication complexity and time consumption are greatly increasedwith the increase of the network scales. A localization algorithm based on a spring model(LASM) method is proposed to reduce the computational complexity, while maintainingthe localization accuracy in large scale sensor networks. The algorithm simulates thedynamics of physical spring system to estimate the positions of nodes. The sensor nodesare set as particles with masses and connected with neighbor nodes by virtual springs. Thevirtual springs will force the particles move to the original positions, the node positionscorrespondingly, from the randomly set positions. Therefore, a blind node position can bedetermined from the LASM algorithm by calculating the related forces with the neighbornodes. The computational and communication complexity are O(1) for each node, since thenumber of the neighbor nodes does not increase proportionally with the network scale size.Three patches are proposed to avoid local optimization, kick out bad nodes and deal withnode variation. Simulation results show that the computational and communicationcomplexity are almost constant despite of the increase of the network scale size. The time consumption has also been proven to remain almost constant since the calculation steps arealmost unrelated with the network scale size.

Decomposition method for fast computation of gigapixel-sized Fresnel holograms on a graphics processing unit cluster.

PubMed

Jackin, Boaz Jessie; Watanabe, Shinpei; Ootsu, Kanemitsu; Ohkawa, Takeshi; Yokota, Takashi; Hayasaki, Yoshio; Yatagai, Toyohiko; Baba, Takanobu

2018-04-20

A parallel computation method for large-size Fresnel computer-generated hologram (CGH) is reported. The method was introduced by us in an earlier report as a technique for calculating Fourier CGH from 2D object data. In this paper we extend the method to compute Fresnel CGH from 3D object data. The scale of the computation problem is also expanded to 2 gigapixels, making it closer to real application requirements. The significant feature of the reported method is its ability to avoid communication overhead and thereby fully utilize the computing power of parallel devices. The method exhibits three layers of parallelism that favor small to large scale parallel computing machines. Simulation and optical experiments were conducted to demonstrate the workability and to evaluate the efficiency of the proposed technique. A two-times improvement in computation speed has been achieved compared to the conventional method, on a 16-node cluster (one GPU per node) utilizing only one layer of parallelism. A 20-times improvement in computation speed has been estimated utilizing two layers of parallelism on a very large-scale parallel machine with 16 nodes, where each node has 16 GPUs.

Using a Dialogue System Based on Dialogue Maps for Computer Assisted Second Language Learning

ERIC Educational Resources Information Center

Choi, Sung-Kwon; Kwon, Oh-Woog; Kim, Young-Kil; Lee, Yunkeun

2016-01-01

In order to use dialogue systems for computer assisted second-language learning systems, one of the difficult issues in such systems is how to construct large-scale dialogue knowledge that matches the dialogue modelling of a dialogue system. This paper describes how we have accomplished the short-term construction of large-scale and…

An Approach to Scoring and Equating Tests with Binary Items: Piloting With Large-Scale Assessments

ERIC Educational Resources Information Center

Dimitrov, Dimiter M.

2016-01-01

This article describes an approach to test scoring, referred to as "delta scoring" (D-scoring), for tests with dichotomously scored items. The D-scoring uses information from item response theory (IRT) calibration to facilitate computations and interpretations in the context of large-scale assessments. The D-score is computed from the…

Optimization and large scale computation of an entropy-based moment closure

NASA Astrophysics Data System (ADS)

Kristopher Garrett, C.; Hauck, Cory; Hill, Judith

2015-12-01

We present computational advances and results in the implementation of an entropy-based moment closure, MN, in the context of linear kinetic equations, with an emphasis on heterogeneous and large-scale computing platforms. Entropy-based closures are known in several cases to yield more accurate results than closures based on standard spectral approximations, such as PN, but the computational cost is generally much higher and often prohibitive. Several optimizations are introduced to improve the performance of entropy-based algorithms over previous implementations. These optimizations include the use of GPU acceleration and the exploitation of the mathematical properties of spherical harmonics, which are used as test functions in the moment formulation. To test the emerging high-performance computing paradigm of communication bound simulations, we present timing results at the largest computational scales currently available. These results show, in particular, load balancing issues in scaling the MN algorithm that do not appear for the PN algorithm. We also observe that in weak scaling tests, the ratio in time to solution of MN to PN decreases.

Optimization and large scale computation of an entropy-based moment closure

DOE PAGES

Hauck, Cory D.; Hill, Judith C.; Garrett, C. Kristopher

2015-09-10

We present computational advances and results in the implementation of an entropy-based moment closure, M N, in the context of linear kinetic equations, with an emphasis on heterogeneous and large-scale computing platforms. Entropy-based closures are known in several cases to yield more accurate results than closures based on standard spectral approximations, such as P N, but the computational cost is generally much higher and often prohibitive. Several optimizations are introduced to improve the performance of entropy-based algorithms over previous implementations. These optimizations include the use of GPU acceleration and the exploitation of the mathematical properties of spherical harmonics, which aremore » used as test functions in the moment formulation. To test the emerging high-performance computing paradigm of communication bound simulations, we present timing results at the largest computational scales currently available. Lastly, these results show, in particular, load balancing issues in scaling the M N algorithm that do not appear for the P N algorithm. We also observe that in weak scaling tests, the ratio in time to solution of M N to P N decreases.« less

Cognitive Model Exploration and Optimization: A New Challenge for Computational Science

DTIC Science & Technology

2010-03-01

the generation and analysis of computational cognitive models to explain various aspects of cognition. Typically the behavior of these models...computational scale of a workstation, so we have turned to high performance computing (HPC) clusters and volunteer computing for large-scale...computational resources. The majority of applications on the Department of Defense HPC clusters focus on solving partial differential equations (Post

Information Power Grid Posters

NASA Technical Reports Server (NTRS)

Vaziri, Arsi

2003-01-01

This document is a summary of the accomplishments of the Information Power Grid (IPG). Grids are an emerging technology that provide seamless and uniform access to the geographically dispersed, computational, data storage, networking, instruments, and software resources needed for solving large-scale scientific and engineering problems. The goal of the NASA IPG is to use NASA's remotely located computing and data system resources to build distributed systems that can address problems that are too large or complex for a single site. The accomplishments outlined in this poster presentation are: access to distributed data, IPG heterogeneous computing, integration of large-scale computing node into distributed environment, remote access to high data rate instruments,and exploratory grid environment.

Trace: a high-throughput tomographic reconstruction engine for large-scale datasets.

PubMed

Bicer, Tekin; Gürsoy, Doğa; Andrade, Vincent De; Kettimuthu, Rajkumar; Scullin, William; Carlo, Francesco De; Foster, Ian T

2017-01-01

Modern synchrotron light sources and detectors produce data at such scale and complexity that large-scale computation is required to unleash their full power. One of the widely used imaging techniques that generates data at tens of gigabytes per second is computed tomography (CT). Although CT experiments result in rapid data generation, the analysis and reconstruction of the collected data may require hours or even days of computation time with a medium-sized workstation, which hinders the scientific progress that relies on the results of analysis. We present Trace, a data-intensive computing engine that we have developed to enable high-performance implementation of iterative tomographic reconstruction algorithms for parallel computers. Trace provides fine-grained reconstruction of tomography datasets using both (thread-level) shared memory and (process-level) distributed memory parallelization. Trace utilizes a special data structure called replicated reconstruction object to maximize application performance. We also present the optimizations that we apply to the replicated reconstruction objects and evaluate them using tomography datasets collected at the Advanced Photon Source. Our experimental evaluations show that our optimizations and parallelization techniques can provide 158× speedup using 32 compute nodes (384 cores) over a single-core configuration and decrease the end-to-end processing time of a large sinogram (with 4501 × 1 × 22,400 dimensions) from 12.5 h to <5 min per iteration. The proposed tomographic reconstruction engine can efficiently process large-scale tomographic data using many compute nodes and minimize reconstruction times.

Towards Large-area Field-scale Operational Evapotranspiration for Water Use Mapping

NASA Astrophysics Data System (ADS)

Senay, G. B.; Friedrichs, M.; Morton, C.; Huntington, J. L.; Verdin, J.

2017-12-01

Field-scale evapotranspiration (ET) estimates are needed for improving surface and groundwater use and water budget studies. Ideally, field-scale ET estimates would be at regional to national levels and cover long time periods. As a result of large data storage and computational requirements associated with processing field-scale satellite imagery such as Landsat, numerous challenges remain to develop operational ET estimates over large areas for detailed water use and availability studies. However, the combination of new science, data availability, and cloud computing technology is enabling unprecedented capabilities for ET mapping. To demonstrate this capability, we used Google's Earth Engine cloud computing platform to create nationwide annual ET estimates with 30-meter resolution Landsat ( 16,000 images) and gridded weather data using the Operational Simplified Surface Energy Balance (SSEBop) model in support of the National Water Census, a USGS research program designed to build decision support capacity for water management agencies and other natural resource managers. By leveraging Google's Earth Engine Application Programming Interface (API) and developing software in a collaborative, open-platform environment, we rapidly advance from research towards applications for large-area field-scale ET mapping. Cloud computing of the Landsat image archive combined with other satellite, climate, and weather data, is creating never imagined opportunities for assessing ET model behavior and uncertainty, and ultimately providing the ability for more robust operational monitoring and assessment of water use at field-scales.

NASA's Information Power Grid: Large Scale Distributed Computing and Data Management

NASA Technical Reports Server (NTRS)

Johnston, William E.; Vaziri, Arsi; Hinke, Tom; Tanner, Leigh Ann; Feiereisen, William J.; Thigpen, William; Tang, Harry (Technical Monitor)

2001-01-01

Large-scale science and engineering are done through the interaction of people, heterogeneous computing resources, information systems, and instruments, all of which are geographically and organizationally dispersed. The overall motivation for Grids is to facilitate the routine interactions of these resources in order to support large-scale science and engineering. Multi-disciplinary simulations provide a good example of a class of applications that are very likely to require aggregation of widely distributed computing, data, and intellectual resources. Such simulations - e.g. whole system aircraft simulation and whole system living cell simulation - require integrating applications and data that are developed by different teams of researchers frequently in different locations. The research team's are the only ones that have the expertise to maintain and improve the simulation code and/or the body of experimental data that drives the simulations. This results in an inherently distributed computing and data management environment.

An evaluation of multi-probe locality sensitive hashing for computing similarities over web-scale query logs

PubMed Central

2018-01-01

Many modern applications of AI such as web search, mobile browsing, image processing, and natural language processing rely on finding similar items from a large database of complex objects. Due to the very large scale of data involved (e.g., users’ queries from commercial search engines), computing such near or nearest neighbors is a non-trivial task, as the computational cost grows significantly with the number of items. To address this challenge, we adopt Locality Sensitive Hashing (a.k.a, LSH) methods and evaluate four variants in a distributed computing environment (specifically, Hadoop). We identify several optimizations which improve performance, suitable for deployment in very large scale settings. The experimental results demonstrate our variants of LSH achieve the robust performance with better recall compared with “vanilla” LSH, even when using the same amount of space. PMID:29346410

Enabling large-scale viscoelastic calculations via neural network acceleration

NASA Astrophysics Data System (ADS)

Robinson DeVries, P.; Thompson, T. B.; Meade, B. J.

2017-12-01

One of the most significant challenges involved in efforts to understand the effects of repeated earthquake cycle activity are the computational costs of large-scale viscoelastic earthquake cycle models. Deep artificial neural networks (ANNs) can be used to discover new, compact, and accurate computational representations of viscoelastic physics. Once found, these efficient ANN representations may replace computationally intensive viscoelastic codes and accelerate large-scale viscoelastic calculations by more than 50,000%. This magnitude of acceleration enables the modeling of geometrically complex faults over thousands of earthquake cycles across wider ranges of model parameters and at larger spatial and temporal scales than have been previously possible. Perhaps most interestingly from a scientific perspective, ANN representations of viscoelastic physics may lead to basic advances in the understanding of the underlying model phenomenology. We demonstrate the potential of artificial neural networks to illuminate fundamental physical insights with specific examples.

Large-scale dynamo action precedes turbulence in shearing box simulations of the magnetorotational instability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhat, Pallavi; Ebrahimi, Fatima; Blackman, Eric G.

Here, we study the dynamo generation (exponential growth) of large-scale (planar averaged) fields in unstratified shearing box simulations of the magnetorotational instability (MRI). In contrast to previous studies restricted to horizontal (x–y) averaging, we also demonstrate the presence of large-scale fields when vertical (y–z) averaging is employed instead. By computing space–time planar averaged fields and power spectra, we find large-scale dynamo action in the early MRI growth phase – a previously unidentified feature. Non-axisymmetric linear MRI modes with low horizontal wavenumbers and vertical wavenumbers near that of expected maximal growth, amplify the large-scale fields exponentially before turbulence and high wavenumbermore » fluctuations arise. Thus the large-scale dynamo requires only linear fluctuations but not non-linear turbulence (as defined by mode–mode coupling). Vertical averaging also allows for monitoring the evolution of the large-scale vertical field and we find that a feedback from horizontal low wavenumber MRI modes provides a clue as to why the large-scale vertical field sustains against turbulent diffusion in the non-linear saturation regime. We compute the terms in the mean field equations to identify the individual contributions to large-scale field growth for both types of averaging. The large-scale fields obtained from vertical averaging are found to compare well with global simulations and quasi-linear analytical analysis from a previous study by Ebrahimi & Blackman. We discuss the potential implications of these new results for understanding the large-scale MRI dynamo saturation and turbulence.« less

Large-scale dynamo action precedes turbulence in shearing box simulations of the magnetorotational instability

DOE PAGES

Bhat, Pallavi; Ebrahimi, Fatima; Blackman, Eric G.

2016-07-06

Here, we study the dynamo generation (exponential growth) of large-scale (planar averaged) fields in unstratified shearing box simulations of the magnetorotational instability (MRI). In contrast to previous studies restricted to horizontal (x–y) averaging, we also demonstrate the presence of large-scale fields when vertical (y–z) averaging is employed instead. By computing space–time planar averaged fields and power spectra, we find large-scale dynamo action in the early MRI growth phase – a previously unidentified feature. Non-axisymmetric linear MRI modes with low horizontal wavenumbers and vertical wavenumbers near that of expected maximal growth, amplify the large-scale fields exponentially before turbulence and high wavenumbermore » fluctuations arise. Thus the large-scale dynamo requires only linear fluctuations but not non-linear turbulence (as defined by mode–mode coupling). Vertical averaging also allows for monitoring the evolution of the large-scale vertical field and we find that a feedback from horizontal low wavenumber MRI modes provides a clue as to why the large-scale vertical field sustains against turbulent diffusion in the non-linear saturation regime. We compute the terms in the mean field equations to identify the individual contributions to large-scale field growth for both types of averaging. The large-scale fields obtained from vertical averaging are found to compare well with global simulations and quasi-linear analytical analysis from a previous study by Ebrahimi & Blackman. We discuss the potential implications of these new results for understanding the large-scale MRI dynamo saturation and turbulence.« less

Applications of Parallel Process HiMAP for Large Scale Multidisciplinary Problems

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.; Potsdam, Mark; Rodriguez, David; Kwak, Dochay (Technical Monitor)

2000-01-01

HiMAP is a three level parallel middleware that can be interfaced to a large scale global design environment for code independent, multidisciplinary analysis using high fidelity equations. Aerospace technology needs are rapidly changing. Computational tools compatible with the requirements of national programs such as space transportation are needed. Conventional computation tools are inadequate for modern aerospace design needs. Advanced, modular computational tools are needed, such as those that incorporate the technology of massively parallel processors (MPP).

A novel artificial fish swarm algorithm for solving large-scale reliability-redundancy application problem.

PubMed

He, Qiang; Hu, Xiangtao; Ren, Hong; Zhang, Hongqi

2015-11-01

A novel artificial fish swarm algorithm (NAFSA) is proposed for solving large-scale reliability-redundancy allocation problem (RAP). In NAFSA, the social behaviors of fish swarm are classified in three ways: foraging behavior, reproductive behavior, and random behavior. The foraging behavior designs two position-updating strategies. And, the selection and crossover operators are applied to define the reproductive ability of an artificial fish. For the random behavior, which is essentially a mutation strategy, the basic cloud generator is used as the mutation operator. Finally, numerical results of four benchmark problems and a large-scale RAP are reported and compared. NAFSA shows good performance in terms of computational accuracy and computational efficiency for large scale RAP. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Distributed intrusion detection system based on grid security model

NASA Astrophysics Data System (ADS)

Su, Jie; Liu, Yahui

2008-03-01

Grid computing has developed rapidly with the development of network technology and it can solve the problem of large-scale complex computing by sharing large-scale computing resource. In grid environment, we can realize a distributed and load balance intrusion detection system. This paper first discusses the security mechanism in grid computing and the function of PKI/CA in the grid security system, then gives the application of grid computing character in the distributed intrusion detection system (IDS) based on Artificial Immune System. Finally, it gives a distributed intrusion detection system based on grid security system that can reduce the processing delay and assure the detection rates.

Why build a virtual brain? Large-scale neural simulations as jump start for cognitive computing

NASA Astrophysics Data System (ADS)

Colombo, Matteo

2017-03-01

Despite the impressive amount of financial resources recently invested in carrying out large-scale brain simulations, it is controversial what the pay-offs are of pursuing this project. One idea is that from designing, building, and running a large-scale neural simulation, scientists acquire knowledge about the computational performance of the simulating system, rather than about the neurobiological system represented in the simulation. It has been claimed that this knowledge may usher in a new era of neuromorphic, cognitive computing systems. This study elucidates this claim and argues that the main challenge this era is facing is not the lack of biological realism. The challenge lies in identifying general neurocomputational principles for the design of artificial systems, which could display the robust flexibility characteristic of biological intelligence.

Cross-indexing of binary SIFT codes for large-scale image search.

PubMed

Liu, Zhen; Li, Houqiang; Zhang, Liyan; Zhou, Wengang; Tian, Qi

2014-05-01

In recent years, there has been growing interest in mapping visual features into compact binary codes for applications on large-scale image collections. Encoding high-dimensional data as compact binary codes reduces the memory cost for storage. Besides, it benefits the computational efficiency since the computation of similarity can be efficiently measured by Hamming distance. In this paper, we propose a novel flexible scale invariant feature transform (SIFT) binarization (FSB) algorithm for large-scale image search. The FSB algorithm explores the magnitude patterns of SIFT descriptor. It is unsupervised and the generated binary codes are demonstrated to be dispreserving. Besides, we propose a new searching strategy to find target features based on the cross-indexing in the binary SIFT space and original SIFT space. We evaluate our approach on two publicly released data sets. The experiments on large-scale partial duplicate image retrieval system demonstrate the effectiveness and efficiency of the proposed algorithm.

Enabling Large-Scale Biomedical Analysis in the Cloud

PubMed Central

Lin, Ying-Chih; Yu, Chin-Sheng; Lin, Yen-Jen

2013-01-01

Recent progress in high-throughput instrumentations has led to an astonishing growth in both volume and complexity of biomedical data collected from various sources. The planet-size data brings serious challenges to the storage and computing technologies. Cloud computing is an alternative to crack the nut because it gives concurrent consideration to enable storage and high-performance computing on large-scale data. This work briefly introduces the data intensive computing system and summarizes existing cloud-based resources in bioinformatics. These developments and applications would facilitate biomedical research to make the vast amount of diversification data meaningful and usable. PMID:24288665

Large-scale frequency- and time-domain quantum entanglement over the optical frequency comb (Conference Presentation)

NASA Astrophysics Data System (ADS)

Pfister, Olivier

2017-05-01

When it comes to practical quantum computing, the two main challenges are circumventing decoherence (devastating quantum errors due to interactions with the environmental bath) and achieving scalability (as many qubits as needed for a real-life, game-changing computation). We show that using, in lieu of qubits, the "qumodes" represented by the resonant fields of the quantum optical frequency comb of an optical parametric oscillator allows one to create bona fide, large scale quantum computing processors, pre-entangled in a cluster state. We detail our recent demonstration of 60-qumode entanglement (out of an estimated 3000) and present an extension to combining this frequency-tagged with time-tagged entanglement, in order to generate an arbitrarily large, universal quantum computing processor.

Handling Big Data in Medical Imaging: Iterative Reconstruction with Large-Scale Automated Parallel Computation

PubMed Central

Lee, Jae H.; Yao, Yushu; Shrestha, Uttam; Gullberg, Grant T.; Seo, Youngho

2014-01-01

The primary goal of this project is to implement the iterative statistical image reconstruction algorithm, in this case maximum likelihood expectation maximum (MLEM) used for dynamic cardiac single photon emission computed tomography, on Spark/GraphX. This involves porting the algorithm to run on large-scale parallel computing systems. Spark is an easy-to- program software platform that can handle large amounts of data in parallel. GraphX is a graph analytic system running on top of Spark to handle graph and sparse linear algebra operations in parallel. The main advantage of implementing MLEM algorithm in Spark/GraphX is that it allows users to parallelize such computation without any expertise in parallel computing or prior knowledge in computer science. In this paper we demonstrate a successful implementation of MLEM in Spark/GraphX and present the performance gains with the goal to eventually make it useable in clinical setting. PMID:27081299

Handling Big Data in Medical Imaging: Iterative Reconstruction with Large-Scale Automated Parallel Computation.

PubMed

Lee, Jae H; Yao, Yushu; Shrestha, Uttam; Gullberg, Grant T; Seo, Youngho

2014-11-01

The primary goal of this project is to implement the iterative statistical image reconstruction algorithm, in this case maximum likelihood expectation maximum (MLEM) used for dynamic cardiac single photon emission computed tomography, on Spark/GraphX. This involves porting the algorithm to run on large-scale parallel computing systems. Spark is an easy-to- program software platform that can handle large amounts of data in parallel. GraphX is a graph analytic system running on top of Spark to handle graph and sparse linear algebra operations in parallel. The main advantage of implementing MLEM algorithm in Spark/GraphX is that it allows users to parallelize such computation without any expertise in parallel computing or prior knowledge in computer science. In this paper we demonstrate a successful implementation of MLEM in Spark/GraphX and present the performance gains with the goal to eventually make it useable in clinical setting.

New design for interfacing computers to the Octopus network

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sloan, L.J.

1977-03-14

The Lawrence Livermore Laboratory has several large-scale computers which are connected to the Octopus network. Several difficulties arise in providing adequate resources along with reliable performance. To alleviate some of these problems a new method of bringing large computers into the Octopus environment is proposed.

Approximate Computing Techniques for Iterative Graph Algorithms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Panyala, Ajay R.; Subasi, Omer; Halappanavar, Mahantesh

Approximate computing enables processing of large-scale graphs by trading off quality for performance. Approximate computing techniques have become critical not only due to the emergence of parallel architectures but also the availability of large scale datasets enabling data-driven discovery. Using two prototypical graph algorithms, PageRank and community detection, we present several approximate computing heuristics to scale the performance with minimal loss of accuracy. We present several heuristics including loop perforation, data caching, incomplete graph coloring and synchronization, and evaluate their efficiency. We demonstrate performance improvements of up to 83% for PageRank and up to 450x for community detection, with lowmore » impact of accuracy for both the algorithms. We expect the proposed approximate techniques will enable scalable graph analytics on data of importance to several applications in science and their subsequent adoption to scale similar graph algorithms.« less

Multiscale solvers and systematic upscaling in computational physics

NASA Astrophysics Data System (ADS)

Brandt, A.

2005-07-01

Multiscale algorithms can overcome the scale-born bottlenecks that plague most computations in physics. These algorithms employ separate processing at each scale of the physical space, combined with interscale iterative interactions, in ways which use finer scales very sparingly. Having been developed first and well known as multigrid solvers for partial differential equations, highly efficient multiscale techniques have more recently been developed for many other types of computational tasks, including: inverse PDE problems; highly indefinite (e.g., standing wave) equations; Dirac equations in disordered gauge fields; fast computation and updating of large determinants (as needed in QCD); fast integral transforms; integral equations; astrophysics; molecular dynamics of macromolecules and fluids; many-atom electronic structures; global and discrete-state optimization; practical graph problems; image segmentation and recognition; tomography (medical imaging); fast Monte-Carlo sampling in statistical physics; and general, systematic methods of upscaling (accurate numerical derivation of large-scale equations from microscopic laws).

Trajectory Segmentation Map-Matching Approach for Large-Scale, High-Resolution GPS Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Lei; Holden, Jacob R.; Gonder, Jeffrey D.

With the development of smartphones and portable GPS devices, large-scale, high-resolution GPS data can be collected. Map matching is a critical step in studying vehicle driving activity and recognizing network traffic conditions from the data. A new trajectory segmentation map-matching algorithm is proposed to deal accurately and efficiently with large-scale, high-resolution GPS trajectory data. The new algorithm separated the GPS trajectory into segments. It found the shortest path for each segment in a scientific manner and ultimately generated a best-matched path for the entire trajectory. The similarity of a trajectory segment and its matched path is described by a similaritymore » score system based on the longest common subsequence. The numerical experiment indicated that the proposed map-matching algorithm was very promising in relation to accuracy and computational efficiency. Large-scale data set applications verified that the proposed method is robust and capable of dealing with real-world, large-scale GPS data in a computationally efficient and accurate manner.« less

Trajectory Segmentation Map-Matching Approach for Large-Scale, High-Resolution GPS Data

DOE PAGES

Zhu, Lei; Holden, Jacob R.; Gonder, Jeffrey D.

2017-01-01

With the development of smartphones and portable GPS devices, large-scale, high-resolution GPS data can be collected. Map matching is a critical step in studying vehicle driving activity and recognizing network traffic conditions from the data. A new trajectory segmentation map-matching algorithm is proposed to deal accurately and efficiently with large-scale, high-resolution GPS trajectory data. The new algorithm separated the GPS trajectory into segments. It found the shortest path for each segment in a scientific manner and ultimately generated a best-matched path for the entire trajectory. The similarity of a trajectory segment and its matched path is described by a similaritymore » score system based on the longest common subsequence. The numerical experiment indicated that the proposed map-matching algorithm was very promising in relation to accuracy and computational efficiency. Large-scale data set applications verified that the proposed method is robust and capable of dealing with real-world, large-scale GPS data in a computationally efficient and accurate manner.« less

Scaling up to address data science challenges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wendelberger, Joanne R.

Statistics and Data Science provide a variety of perspectives and technical approaches for exploring and understanding Big Data. Partnerships between scientists from different fields such as statistics, machine learning, computer science, and applied mathematics can lead to innovative approaches for addressing problems involving increasingly large amounts of data in a rigorous and effective manner that takes advantage of advances in computing. Here, this article will explore various challenges in Data Science and will highlight statistical approaches that can facilitate analysis of large-scale data including sampling and data reduction methods, techniques for effective analysis and visualization of large-scale simulations, and algorithmsmore » and procedures for efficient processing.« less

Scaling up to address data science challenges

DOE PAGES

Wendelberger, Joanne R.

2017-04-27

Statistics and Data Science provide a variety of perspectives and technical approaches for exploring and understanding Big Data. Partnerships between scientists from different fields such as statistics, machine learning, computer science, and applied mathematics can lead to innovative approaches for addressing problems involving increasingly large amounts of data in a rigorous and effective manner that takes advantage of advances in computing. Here, this article will explore various challenges in Data Science and will highlight statistical approaches that can facilitate analysis of large-scale data including sampling and data reduction methods, techniques for effective analysis and visualization of large-scale simulations, and algorithmsmore » and procedures for efficient processing.« less

ATLAS and LHC computing on CRAY

NASA Astrophysics Data System (ADS)

Sciacca, F. G.; Haug, S.; ATLAS Collaboration

2017-10-01

Access and exploitation of large scale computing resources, such as those offered by general purpose HPC centres, is one important measure for ATLAS and the other Large Hadron Collider experiments in order to meet the challenge posed by the full exploitation of the future data within the constraints of flat budgets. We report on the effort of moving the Swiss WLCG T2 computing, serving ATLAS, CMS and LHCb, from a dedicated cluster to the large Cray systems at the Swiss National Supercomputing Centre CSCS. These systems do not only offer very efficient hardware, cooling and highly competent operators, but also have large backfill potentials due to size and multidisciplinary usage and potential gains due to economy at scale. Technical solutions, performance, expected return and future plans are discussed.

Sound production due to large-scale coherent structures. [and identification of noise mechanisms in turbulent shear flow

NASA Technical Reports Server (NTRS)

Gatski, T. B.

1979-01-01

The sound due to the large-scale (wavelike) structure in an infinite free turbulent shear flow is examined. Specifically, a computational study of a plane shear layer is presented, which accounts, by way of triple decomposition of the flow field variables, for three distinct component scales of motion (mean, wave, turbulent), and from which the sound - due to the large-scale wavelike structure - in the acoustic field can be isolated by a simple phase average. The computational approach has allowed for the identification of a specific noise production mechanism, viz the wave-induced stress, and has indicated the effect of coherent structure amplitude and growth and decay characteristics on noise levels produced in the acoustic far field.

Large Scale Traffic Simulations

DOT National Transportation Integrated Search

1997-01-01

Large scale microscopic (i.e. vehicle-based) traffic simulations pose high demands on computation speed in at least two application areas: (i) real-time traffic forecasting, and (ii) long-term planning applications (where repeated "looping" between t...

Large-scale structural optimization

NASA Technical Reports Server (NTRS)

Sobieszczanski-Sobieski, J.

1983-01-01

Problems encountered by aerospace designers in attempting to optimize whole aircraft are discussed, along with possible solutions. Large scale optimization, as opposed to component-by-component optimization, is hindered by computational costs, software inflexibility, concentration on a single, rather than trade-off, design methodology and the incompatibility of large-scale optimization with single program, single computer methods. The software problem can be approached by placing the full analysis outside of the optimization loop. Full analysis is then performed only periodically. Problem-dependent software can be removed from the generic code using a systems programming technique, and then embody the definitions of design variables, objective function and design constraints. Trade-off algorithms can be used at the design points to obtain quantitative answers. Finally, decomposing the large-scale problem into independent subproblems allows systematic optimization of the problems by an organization of people and machines.

The PLATO IV Architecture.

ERIC Educational Resources Information Center

Stifle, Jack

The PLATO IV computer-based instructional system consists of a large scale centrally located CDC 6400 computer and a large number of remote student terminals. This is a brief and general description of the proposed input/output hardware necessary to interface the student terminals with the computer's central processing unit (CPU) using available…

Sparse deconvolution for the large-scale ill-posed inverse problem of impact force reconstruction

NASA Astrophysics Data System (ADS)

Qiao, Baijie; Zhang, Xingwu; Gao, Jiawei; Liu, Ruonan; Chen, Xuefeng

2017-01-01

Most previous regularization methods for solving the inverse problem of force reconstruction are to minimize the l2-norm of the desired force. However, these traditional regularization methods such as Tikhonov regularization and truncated singular value decomposition, commonly fail to solve the large-scale ill-posed inverse problem in moderate computational cost. In this paper, taking into account the sparse characteristic of impact force, the idea of sparse deconvolution is first introduced to the field of impact force reconstruction and a general sparse deconvolution model of impact force is constructed. Second, a novel impact force reconstruction method based on the primal-dual interior point method (PDIPM) is proposed to solve such a large-scale sparse deconvolution model, where minimizing the l2-norm is replaced by minimizing the l1-norm. Meanwhile, the preconditioned conjugate gradient algorithm is used to compute the search direction of PDIPM with high computational efficiency. Finally, two experiments including the small-scale or medium-scale single impact force reconstruction and the relatively large-scale consecutive impact force reconstruction are conducted on a composite wind turbine blade and a shell structure to illustrate the advantage of PDIPM. Compared with Tikhonov regularization, PDIPM is more efficient, accurate and robust whether in the single impact force reconstruction or in the consecutive impact force reconstruction.

DIALOG: An executive computer program for linking independent programs

NASA Technical Reports Server (NTRS)

Glatt, C. R.; Hague, D. S.; Watson, D. A.

1973-01-01

A very large scale computer programming procedure called the DIALOG Executive System has been developed for the Univac 1100 series computers. The executive computer program, DIALOG, controls the sequence of execution and data management function for a library of independent computer programs. Communication of common information is accomplished by DIALOG through a dynamically constructed and maintained data base of common information. The unique feature of the DIALOG Executive System is the manner in which computer programs are linked. Each program maintains its individual identity and as such is unaware of its contribution to the large scale program. This feature makes any computer program a candidate for use with the DIALOG Executive System. The installation and use of the DIALOG Executive System are described at Johnson Space Center.

Sign: large-scale gene network estimation environment for high performance computing.

PubMed

Tamada, Yoshinori; Shimamura, Teppei; Yamaguchi, Rui; Imoto, Seiya; Nagasaki, Masao; Miyano, Satoru

2011-01-01

Our research group is currently developing software for estimating large-scale gene networks from gene expression data. The software, called SiGN, is specifically designed for the Japanese flagship supercomputer "K computer" which is planned to achieve 10 petaflops in 2012, and other high performance computing environments including Human Genome Center (HGC) supercomputer system. SiGN is a collection of gene network estimation software with three different sub-programs: SiGN-BN, SiGN-SSM and SiGN-L1. In these three programs, five different models are available: static and dynamic nonparametric Bayesian networks, state space models, graphical Gaussian models, and vector autoregressive models. All these models require a huge amount of computational resources for estimating large-scale gene networks and therefore are designed to be able to exploit the speed of 10 petaflops. The software will be available freely for "K computer" and HGC supercomputer system users. The estimated networks can be viewed and analyzed by Cell Illustrator Online and SBiP (Systems Biology integrative Pipeline). The software project web site is available at http://sign.hgc.jp/ .

Thermal/structural modeling of a large scale in situ overtest experiment for defense high level waste at the Waste Isolation Pilot Plant Facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morgan, H.S.; Stone, C.M.; Krieg, R.D.

Several large scale in situ experiments in bedded salt formations are currently underway at the Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico, USA. In these experiments, the thermal and creep responses of salt around several different underground room configurations are being measured. Data from the tests are to be compared to thermal and structural responses predicted in pretest reference calculations. The purpose of these comparisons is to evaluate computational models developed from laboratory data prior to fielding of the in situ experiments. In this paper, the computational models used in the pretest reference calculation for one of themore » large scale tests, The Overtest for Defense High Level Waste, are described; and the pretest computed thermal and structural responses are compared to early data from the experiment. The comparisons indicate that computed and measured temperatures for the test agree to within ten percent but that measured deformation rates are between two and three times greater than corresponsing computed rates. 10 figs., 3 tabs.« less

The Case for Modular Redundancy in Large-Scale High Performance Computing Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Engelmann, Christian; Ong, Hong Hoe; Scott, Stephen L

2009-01-01

Recent investigations into resilience of large-scale high-performance computing (HPC) systems showed a continuous trend of decreasing reliability and availability. Newly installed systems have a lower mean-time to failure (MTTF) and a higher mean-time to recover (MTTR) than their predecessors. Modular redundancy is being used in many mission critical systems today to provide for resilience, such as for aerospace and command \\& control systems. The primary argument against modular redundancy for resilience in HPC has always been that the capability of a HPC system, and respective return on investment, would be significantly reduced. We argue that modular redundancy can significantly increasemore » compute node availability as it removes the impact of scale from single compute node MTTR. We further argue that single compute nodes can be much less reliable, and therefore less expensive, and still be highly available, if their MTTR/MTTF ratio is maintained.« less

The MIT Alewife Machine: A Large-Scale Distributed-Memory Multiprocessor

DTIC Science & Technology

1991-06-01

Symposium on Compiler Construction, June 1986. [14] Daniel Gajski , David Kuck, Duncan Lawrie, and Ahmed Saleh. Cedar - A Large Scale Multiprocessor. In...Directory Methods. In Proceedings 17th Annual International Symposium on Computer Architecture, June 1990. [31] G . M. Papadopoulos and D.E. Culler...Monsoon: An Explicit Token-Store Ar- chitecture. In Proceedings 17th Annual International Symposium on Computer Architecture, June 1990. [32] G . F

HEPCloud, a New Paradigm for HEP Facilities: CMS Amazon Web Services Investigation

DOE PAGES

Holzman, Burt; Bauerdick, Lothar A. T.; Bockelman, Brian; ...

2017-09-29

Historically, high energy physics computing has been performed on large purpose-built computing systems. These began as single-site compute facilities, but have evolved into the distributed computing grids used today. Recently, there has been an exponential increase in the capacity and capability of commercial clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest among the cloud providers to demonstrate the capability to perform large-scale scientific computing. In this paper, we discuss results from the CMS experiment using the Fermilab HEPCloud facility, which utilized bothmore » local Fermilab resources and virtual machines in the Amazon Web Services Elastic Compute Cloud. We discuss the planning, technical challenges, and lessons learned involved in performing physics workflows on a large-scale set of virtualized resources. Additionally, we will discuss the economics and operational efficiencies when executing workflows both in the cloud and on dedicated resources.« less

HEPCloud, a New Paradigm for HEP Facilities: CMS Amazon Web Services Investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holzman, Burt; Bauerdick, Lothar A. T.; Bockelman, Brian

Historically, high energy physics computing has been performed on large purpose-built computing systems. These began as single-site compute facilities, but have evolved into the distributed computing grids used today. Recently, there has been an exponential increase in the capacity and capability of commercial clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest among the cloud providers to demonstrate the capability to perform large-scale scientific computing. In this paper, we discuss results from the CMS experiment using the Fermilab HEPCloud facility, which utilized bothmore » local Fermilab resources and virtual machines in the Amazon Web Services Elastic Compute Cloud. We discuss the planning, technical challenges, and lessons learned involved in performing physics workflows on a large-scale set of virtualized resources. Additionally, we will discuss the economics and operational efficiencies when executing workflows both in the cloud and on dedicated resources.« less

Template Interfaces for Agile Parallel Data-Intensive Science

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramakrishnan, Lavanya; Gunter, Daniel; Pastorello, Gilerto Z.

Tigres provides a programming library to compose and execute large-scale data-intensive scientific workflows from desktops to supercomputers. DOE User Facilities and large science collaborations are increasingly generating large enough data sets that it is no longer practical to download them to a desktop to operate on them. They are instead stored at centralized compute and storage resources such as high performance computing (HPC) centers. Analysis of this data requires an ability to run on these facilities, but with current technologies, scaling an analysis to an HPC center and to a large data set is difficult even for experts. Tigres ismore » addressing the challenge of enabling collaborative analysis of DOE Science data through a new concept of reusable "templates" that enable scientists to easily compose, run and manage collaborative computational tasks. These templates define common computation patterns used in analyzing a data set.« less

Grid-Enabled Quantitative Analysis of Breast Cancer

DTIC Science & Technology

2009-10-01

large-scale, multi-modality computerized image analysis . The central hypothesis of this research is that large-scale image analysis for breast cancer...pilot study to utilize large scale parallel Grid computing to harness the nationwide cluster infrastructure for optimization of medical image ... analysis parameters. Additionally, we investigated the use of cutting edge dataanalysis/ mining techniques as applied to Ultrasound, FFDM, and DCE-MRI Breast

Using Computing and Data Grids for Large-Scale Science and Engineering

NASA Technical Reports Server (NTRS)

Johnston, William E.

2001-01-01

We use the term "Grid" to refer to a software system that provides uniform and location independent access to geographically and organizationally dispersed, heterogeneous resources that are persistent and supported. These emerging data and computing Grids promise to provide a highly capable and scalable environment for addressing large-scale science problems. We describe the requirements for science Grids, the resulting services and architecture of NASA's Information Power Grid (IPG) and DOE's Science Grid, and some of the scaling issues that have come up in their implementation.

Blueprint for a microwave trapped ion quantum computer.

PubMed

Lekitsch, Bjoern; Weidt, Sebastian; Fowler, Austin G; Mølmer, Klaus; Devitt, Simon J; Wunderlich, Christof; Hensinger, Winfried K

2017-02-01

The availability of a universal quantum computer may have a fundamental impact on a vast number of research fields and on society as a whole. An increasingly large scientific and industrial community is working toward the realization of such a device. An arbitrarily large quantum computer may best be constructed using a modular approach. We present a blueprint for a trapped ion-based scalable quantum computer module, making it possible to create a scalable quantum computer architecture based on long-wavelength radiation quantum gates. The modules control all operations as stand-alone units, are constructed using silicon microfabrication techniques, and are within reach of current technology. To perform the required quantum computations, the modules make use of long-wavelength radiation-based quantum gate technology. To scale this microwave quantum computer architecture to a large size, we present a fully scalable design that makes use of ion transport between different modules, thereby allowing arbitrarily many modules to be connected to construct a large-scale device. A high error-threshold surface error correction code can be implemented in the proposed architecture to execute fault-tolerant operations. With appropriate adjustments, the proposed modules are also suitable for alternative trapped ion quantum computer architectures, such as schemes using photonic interconnects.

Trace: a high-throughput tomographic reconstruction engine for large-scale datasets

DOE PAGES

Bicer, Tekin; Gursoy, Doga; Andrade, Vincent De; ...

2017-01-28

Here, synchrotron light source and detector technologies enable scientists to perform advanced experiments. These scientific instruments and experiments produce data at such scale and complexity that large-scale computation is required to unleash their full power. One of the widely used data acquisition technique at light sources is Computed Tomography, which can generate tens of GB/s depending on x-ray range. A large-scale tomographic dataset, such as mouse brain, may require hours of computation time with a medium size workstation. In this paper, we present Trace, a data-intensive computing middleware we developed for implementation and parallelization of iterative tomographic reconstruction algorithms. Tracemore » provides fine-grained reconstruction of tomography datasets using both (thread level) shared memory and (process level) distributed memory parallelization. Trace utilizes a special data structure called replicated reconstruction object to maximize application performance. We also present the optimizations we have done on the replicated reconstruction objects and evaluate them using a shale and a mouse brain sinogram. Our experimental evaluations show that the applied optimizations and parallelization techniques can provide 158x speedup (using 32 compute nodes) over single core configuration, which decreases the reconstruction time of a sinogram (with 4501 projections and 22400 detector resolution) from 12.5 hours to less than 5 minutes per iteration.« less

Trace: a high-throughput tomographic reconstruction engine for large-scale datasets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bicer, Tekin; Gursoy, Doga; Andrade, Vincent De

Here, synchrotron light source and detector technologies enable scientists to perform advanced experiments. These scientific instruments and experiments produce data at such scale and complexity that large-scale computation is required to unleash their full power. One of the widely used data acquisition technique at light sources is Computed Tomography, which can generate tens of GB/s depending on x-ray range. A large-scale tomographic dataset, such as mouse brain, may require hours of computation time with a medium size workstation. In this paper, we present Trace, a data-intensive computing middleware we developed for implementation and parallelization of iterative tomographic reconstruction algorithms. Tracemore » provides fine-grained reconstruction of tomography datasets using both (thread level) shared memory and (process level) distributed memory parallelization. Trace utilizes a special data structure called replicated reconstruction object to maximize application performance. We also present the optimizations we have done on the replicated reconstruction objects and evaluate them using a shale and a mouse brain sinogram. Our experimental evaluations show that the applied optimizations and parallelization techniques can provide 158x speedup (using 32 compute nodes) over single core configuration, which decreases the reconstruction time of a sinogram (with 4501 projections and 22400 detector resolution) from 12.5 hours to less than 5 minutes per iteration.« less

Correlation between Academic and Skills-Based Tests in Computer Networks

ERIC Educational Resources Information Center

Buchanan, William

2006-01-01

Computing-related programmes and modules have many problems, especially related to large class sizes, large-scale plagiarism, module franchising, and an increased requirement from students for increased amounts of hands-on, practical work. This paper presents a practical computer networks module which uses a mixture of online examinations and a…

Computational Models of Consumer Confidence from Large-Scale Online Attention Data: Crowd-Sourcing Econometrics

PubMed Central

2015-01-01

Economies are instances of complex socio-technical systems that are shaped by the interactions of large numbers of individuals. The individual behavior and decision-making of consumer agents is determined by complex psychological dynamics that include their own assessment of present and future economic conditions as well as those of others, potentially leading to feedback loops that affect the macroscopic state of the economic system. We propose that the large-scale interactions of a nation's citizens with its online resources can reveal the complex dynamics of their collective psychology, including their assessment of future system states. Here we introduce a behavioral index of Chinese Consumer Confidence (C3I) that computationally relates large-scale online search behavior recorded by Google Trends data to the macroscopic variable of consumer confidence. Our results indicate that such computational indices may reveal the components and complex dynamics of consumer psychology as a collective socio-economic phenomenon, potentially leading to improved and more refined economic forecasting. PMID:25826692

Computational models of consumer confidence from large-scale online attention data: crowd-sourcing econometrics.

PubMed

Dong, Xianlei; Bollen, Johan

2015-01-01

Economies are instances of complex socio-technical systems that are shaped by the interactions of large numbers of individuals. The individual behavior and decision-making of consumer agents is determined by complex psychological dynamics that include their own assessment of present and future economic conditions as well as those of others, potentially leading to feedback loops that affect the macroscopic state of the economic system. We propose that the large-scale interactions of a nation's citizens with its online resources can reveal the complex dynamics of their collective psychology, including their assessment of future system states. Here we introduce a behavioral index of Chinese Consumer Confidence (C3I) that computationally relates large-scale online search behavior recorded by Google Trends data to the macroscopic variable of consumer confidence. Our results indicate that such computational indices may reveal the components and complex dynamics of consumer psychology as a collective socio-economic phenomenon, potentially leading to improved and more refined economic forecasting.

Parallel Simulation of Unsteady Turbulent Flames

NASA Technical Reports Server (NTRS)

Menon, Suresh

1996-01-01

Time-accurate simulation of turbulent flames in high Reynolds number flows is a challenging task since both fluid dynamics and combustion must be modeled accurately. To numerically simulate this phenomenon, very large computer resources (both time and memory) are required. Although current vector supercomputers are capable of providing adequate resources for simulations of this nature, the high cost and their limited availability, makes practical use of such machines less than satisfactory. At the same time, the explicit time integration algorithms used in unsteady flow simulations often possess a very high degree of parallelism, making them very amenable to efficient implementation on large-scale parallel computers. Under these circumstances, distributed memory parallel computers offer an excellent near-term solution for greatly increased computational speed and memory, at a cost that may render the unsteady simulations of the type discussed above more feasible and affordable.This paper discusses the study of unsteady turbulent flames using a simulation algorithm that is capable of retaining high parallel efficiency on distributed memory parallel architectures. Numerical studies are carried out using large-eddy simulation (LES). In LES, the scales larger than the grid are computed using a time- and space-accurate scheme, while the unresolved small scales are modeled using eddy viscosity based subgrid models. This is acceptable for the moment/energy closure since the small scales primarily provide a dissipative mechanism for the energy transferred from the large scales. However, for combustion to occur, the species must first undergo mixing at the small scales and then come into molecular contact. Therefore, global models cannot be used. Recently, a new model for turbulent combustion was developed, in which the combustion is modeled, within the subgrid (small-scales) using a methodology that simulates the mixing and the molecular transport and the chemical kinetics within each LES grid cell. Finite-rate kinetics can be included without any closure and this approach actually provides a means to predict the turbulent rates and the turbulent flame speed. The subgrid combustion model requires resolution of the local time scales associated with small-scale mixing, molecular diffusion and chemical kinetics and, therefore, within each grid cell, a significant amount of computations must be carried out before the large-scale (LES resolved) effects are incorporated. Therefore, this approach is uniquely suited for parallel processing and has been implemented on various systems such as: Intel Paragon, IBM SP-2, Cray T3D and SGI Power Challenge (PC) using the system independent Message Passing Interface (MPI) compiler. In this paper, timing data on these machines is reported along with some characteristic results.

Parameter estimation in large-scale systems biology models: a parallel and self-adaptive cooperative strategy.

PubMed

Penas, David R; González, Patricia; Egea, Jose A; Doallo, Ramón; Banga, Julio R

2017-01-21

The development of large-scale kinetic models is one of the current key issues in computational systems biology and bioinformatics. Here we consider the problem of parameter estimation in nonlinear dynamic models. Global optimization methods can be used to solve this type of problems but the associated computational cost is very large. Moreover, many of these methods need the tuning of a number of adjustable search parameters, requiring a number of initial exploratory runs and therefore further increasing the computation times. Here we present a novel parallel method, self-adaptive cooperative enhanced scatter search (saCeSS), to accelerate the solution of this class of problems. The method is based on the scatter search optimization metaheuristic and incorporates several key new mechanisms: (i) asynchronous cooperation between parallel processes, (ii) coarse and fine-grained parallelism, and (iii) self-tuning strategies. The performance and robustness of saCeSS is illustrated by solving a set of challenging parameter estimation problems, including medium and large-scale kinetic models of the bacterium E. coli, bakerés yeast S. cerevisiae, the vinegar fly D. melanogaster, Chinese Hamster Ovary cells, and a generic signal transduction network. The results consistently show that saCeSS is a robust and efficient method, allowing very significant reduction of computation times with respect to several previous state of the art methods (from days to minutes, in several cases) even when only a small number of processors is used. The new parallel cooperative method presented here allows the solution of medium and large scale parameter estimation problems in reasonable computation times and with small hardware requirements. Further, the method includes self-tuning mechanisms which facilitate its use by non-experts. We believe that this new method can play a key role in the development of large-scale and even whole-cell dynamic models.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gallarno, George; Rogers, James H; Maxwell, Don E

The high computational capability of graphics processing units (GPUs) is enabling and driving the scientific discovery process at large-scale. The world s second fastest supercomputer for open science, Titan, has more than 18,000 GPUs that computational scientists use to perform scientific simu- lations and data analysis. Understanding of GPU reliability characteristics, however, is still in its nascent stage since GPUs have only recently been deployed at large-scale. This paper presents a detailed study of GPU errors and their impact on system operations and applications, describing experiences with the 18,688 GPUs on the Titan supercom- puter as well as lessons learnedmore » in the process of efficient operation of GPUs at scale. These experiences are helpful to HPC sites which already have large-scale GPU clusters or plan to deploy GPUs in the future.« less

Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations

NASA Astrophysics Data System (ADS)

Teijeiro, C.; Hammerschmidt, T.; Drautz, R.; Sutmann, G.

2016-07-01

Analytic bond-order potentials (BOPs) provide a way to compute atomistic properties with controllable accuracy. For large-scale computations of heterogeneous compounds at the atomistic level, both the computational efficiency and memory demand of BOP implementations have to be optimized. Since the evaluation of BOPs is a local operation within a finite environment, the parallelization concepts known from short-range interacting particle simulations can be applied to improve the performance of these simulations. In this work, several efficient parallelization methods for BOPs that use three-dimensional domain decomposition schemes are described. The schemes are implemented into the bond-order potential code BOPfox, and their performance is measured in a series of benchmarks. Systems of up to several millions of atoms are simulated on a high performance computing system, and parallel scaling is demonstrated for up to thousands of processors.

HAlign-II: efficient ultra-large multiple sequence alignment and phylogenetic tree reconstruction with distributed and parallel computing.

PubMed

Wan, Shixiang; Zou, Quan

2017-01-01

Multiple sequence alignment (MSA) plays a key role in biological sequence analyses, especially in phylogenetic tree construction. Extreme increase in next-generation sequencing results in shortage of efficient ultra-large biological sequence alignment approaches for coping with different sequence types. Distributed and parallel computing represents a crucial technique for accelerating ultra-large (e.g. files more than 1 GB) sequence analyses. Based on HAlign and Spark distributed computing system, we implement a highly cost-efficient and time-efficient HAlign-II tool to address ultra-large multiple biological sequence alignment and phylogenetic tree construction. The experiments in the DNA and protein large scale data sets, which are more than 1GB files, showed that HAlign II could save time and space. It outperformed the current software tools. HAlign-II can efficiently carry out MSA and construct phylogenetic trees with ultra-large numbers of biological sequences. HAlign-II shows extremely high memory efficiency and scales well with increases in computing resource. THAlign-II provides a user-friendly web server based on our distributed computing infrastructure. HAlign-II with open-source codes and datasets was established at http://lab.malab.cn/soft/halign.

Quantum error correction in crossbar architectures

NASA Astrophysics Data System (ADS)

Helsen, Jonas; Steudtner, Mark; Veldhorst, Menno; Wehner, Stephanie

2018-07-01

A central challenge for the scaling of quantum computing systems is the need to control all qubits in the system without a large overhead. A solution for this problem in classical computing comes in the form of so-called crossbar architectures. Recently we made a proposal for a large-scale quantum processor (Li et al arXiv:1711.03807 (2017)) to be implemented in silicon quantum dots. This system features a crossbar control architecture which limits parallel single-qubit control, but allows the scheme to overcome control scaling issues that form a major hurdle to large-scale quantum computing systems. In this work, we develop a language that makes it possible to easily map quantum circuits to crossbar systems, taking into account their architecture and control limitations. Using this language we show how to map well known quantum error correction codes such as the planar surface and color codes in this limited control setting with only a small overhead in time. We analyze the logical error behavior of this surface code mapping for estimated experimental parameters of the crossbar system and conclude that logical error suppression to a level useful for real quantum computation is feasible.

On the role of minicomputers in structural design

NASA Technical Reports Server (NTRS)

Storaasli, O. O.

1977-01-01

Results are presented of exploratory studies on the use of a minicomputer in conjunction with large-scale computers to perform structural design tasks, including data and program management, use of interactive graphics, and computations for structural analysis and design. An assessment is made of minicomputer use for the structural model definition and checking and for interpreting results. Included are results of computational experiments demonstrating the advantages of using both a minicomputer and a large computer to solve a large aircraft structural design problem.

The TeraShake Computational Platform for Large-Scale Earthquake Simulations

NASA Astrophysics Data System (ADS)

Cui, Yifeng; Olsen, Kim; Chourasia, Amit; Moore, Reagan; Maechling, Philip; Jordan, Thomas

Geoscientific and computer science researchers with the Southern California Earthquake Center (SCEC) are conducting a large-scale, physics-based, computationally demanding earthquake system science research program with the goal of developing predictive models of earthquake processes. The computational demands of this program continue to increase rapidly as these researchers seek to perform physics-based numerical simulations of earthquake processes for larger meet the needs of this research program, a multiple-institution team coordinated by SCEC has integrated several scientific codes into a numerical modeling-based research tool we call the TeraShake computational platform (TSCP). A central component in the TSCP is a highly scalable earthquake wave propagation simulation program called the TeraShake anelastic wave propagation (TS-AWP) code. In this chapter, we describe how we extended an existing, stand-alone, wellvalidated, finite-difference, anelastic wave propagation modeling code into the highly scalable and widely used TS-AWP and then integrated this code into the TeraShake computational platform that provides end-to-end (initialization to analysis) research capabilities. We also describe the techniques used to enhance the TS-AWP parallel performance on TeraGrid supercomputers, as well as the TeraShake simulations phases including input preparation, run time, data archive management, and visualization. As a result of our efforts to improve its parallel efficiency, the TS-AWP has now shown highly efficient strong scaling on over 40K processors on IBM’s BlueGene/L Watson computer. In addition, the TSCP has developed into a computational system that is useful to many members of the SCEC community for performing large-scale earthquake simulations.

Large-Scale Traffic Microsimulation From An MPO Perspective

DOT National Transportation Integrated Search

1997-01-01

One potential advancement of the four-step travel model process is the forecasting and simulation of individual activities and travel. A common concern with such an approach is that the data and computational requirements for a large-scale, regional ...

OpenMP parallelization of a gridded SWAT (SWATG)

NASA Astrophysics Data System (ADS)

Zhang, Ying; Hou, Jinliang; Cao, Yongpan; Gu, Juan; Huang, Chunlin

2017-12-01

Large-scale, long-term and high spatial resolution simulation is a common issue in environmental modeling. A Gridded Hydrologic Response Unit (HRU)-based Soil and Water Assessment Tool (SWATG) that integrates grid modeling scheme with different spatial representations also presents such problems. The time-consuming problem affects applications of very high resolution large-scale watershed modeling. The OpenMP (Open Multi-Processing) parallel application interface is integrated with SWATG (called SWATGP) to accelerate grid modeling based on the HRU level. Such parallel implementation takes better advantage of the computational power of a shared memory computer system. We conducted two experiments at multiple temporal and spatial scales of hydrological modeling using SWATG and SWATGP on a high-end server. At 500-m resolution, SWATGP was found to be up to nine times faster than SWATG in modeling over a roughly 2000 km2 watershed with 1 CPU and a 15 thread configuration. The study results demonstrate that parallel models save considerable time relative to traditional sequential simulation runs. Parallel computations of environmental models are beneficial for model applications, especially at large spatial and temporal scales and at high resolutions. The proposed SWATGP model is thus a promising tool for large-scale and high-resolution water resources research and management in addition to offering data fusion and model coupling ability.

Large-scale anisotropy of the cosmic microwave background radiation

NASA Technical Reports Server (NTRS)

Silk, J.; Wilson, M. L.

1981-01-01

Inhomogeneities in the large-scale distribution of matter inevitably lead to the generation of large-scale anisotropy in the cosmic background radiation. The dipole, quadrupole, and higher order fluctuations expected in an Einstein-de Sitter cosmological model have been computed. The dipole and quadrupole anisotropies are comparable to the measured values, and impose important constraints on the allowable spectrum of large-scale matter density fluctuations. A significant dipole anisotropy is generated by the matter distribution on scales greater than approximately 100 Mpc. The large-scale anisotropy is insensitive to the ionization history of the universe since decoupling, and cannot easily be reconciled with a galaxy formation theory that is based on primordial adiabatic density fluctuations.

Adjoint Sensitivity Analysis for Scale-Resolving Turbulent Flow Solvers

NASA Astrophysics Data System (ADS)

Blonigan, Patrick; Garai, Anirban; Diosady, Laslo; Murman, Scott

2017-11-01

Adjoint-based sensitivity analysis methods are powerful design tools for engineers who use computational fluid dynamics. In recent years, these engineers have started to use scale-resolving simulations like large-eddy simulations (LES) and direct numerical simulations (DNS), which resolve more scales in complex flows with unsteady separation and jets than the widely-used Reynolds-averaged Navier-Stokes (RANS) methods. However, the conventional adjoint method computes large, unusable sensitivities for scale-resolving simulations, which unlike RANS simulations exhibit the chaotic dynamics inherent in turbulent flows. Sensitivity analysis based on least-squares shadowing (LSS) avoids the issues encountered by conventional adjoint methods, but has a high computational cost even for relatively small simulations. The following talk discusses a more computationally efficient formulation of LSS, ``non-intrusive'' LSS, and its application to turbulent flows simulated with a discontinuous-Galkerin spectral-element-method LES/DNS solver. Results are presented for the minimal flow unit, a turbulent channel flow with a limited streamwise and spanwise domain.

Novel patch modelling method for efficient simulation and prediction uncertainty analysis of multi-scale groundwater flow and transport processes

NASA Astrophysics Data System (ADS)

Sreekanth, J.; Moore, Catherine

2018-04-01

The application of global sensitivity and uncertainty analysis techniques to groundwater models of deep sedimentary basins are typically challenged by large computational burdens combined with associated numerical stability issues. The highly parameterized approaches required for exploring the predictive uncertainty associated with the heterogeneous hydraulic characteristics of multiple aquifers and aquitards in these sedimentary basins exacerbate these issues. A novel Patch Modelling Methodology is proposed for improving the computational feasibility of stochastic modelling analysis of large-scale and complex groundwater models. The method incorporates a nested groundwater modelling framework that enables efficient simulation of groundwater flow and transport across multiple spatial and temporal scales. The method also allows different processes to be simulated within different model scales. Existing nested model methodologies are extended by employing 'joining predictions' for extrapolating prediction-salient information from one model scale to the next. This establishes a feedback mechanism supporting the transfer of information from child models to parent models as well as parent models to child models in a computationally efficient manner. This feedback mechanism is simple and flexible and ensures that while the salient small scale features influencing larger scale prediction are transferred back to the larger scale, this does not require the live coupling of models. This method allows the modelling of multiple groundwater flow and transport processes using separate groundwater models that are built for the appropriate spatial and temporal scales, within a stochastic framework, while also removing the computational burden associated with live model coupling. The utility of the method is demonstrated by application to an actual large scale aquifer injection scheme in Australia.

Tracking of large-scale structures in turbulent channel with direct numerical simulation of low Prandtl number passive scalar

NASA Astrophysics Data System (ADS)

Tiselj, Iztok

2014-12-01

Channel flow DNS (Direct Numerical Simulation) at friction Reynolds number 180 and with passive scalars of Prandtl numbers 1 and 0.01 was performed in various computational domains. The "normal" size domain was ˜2300 wall units long and ˜750 wall units wide; size taken from the similar DNS of Moser et al. The "large" computational domain, which is supposed to be sufficient to describe the largest structures of the turbulent flows was 3 times longer and 3 times wider than the "normal" domain. The "very large" domain was 6 times longer and 6 times wider than the "normal" domain. All simulations were performed with the same spatial and temporal resolution. Comparison of the standard and large computational domains shows the velocity field statistics (mean velocity, root-mean-square (RMS) fluctuations, and turbulent Reynolds stresses) that are within 1%-2%. Similar agreement is observed for Pr = 1 temperature fields and can be observed also for the mean temperature profiles at Pr = 0.01. These differences can be attributed to the statistical uncertainties of the DNS. However, second-order moments, i.e., RMS temperature fluctuations of standard and large computational domains at Pr = 0.01 show significant differences of up to 20%. Stronger temperature fluctuations in the "large" and "very large" domains confirm the existence of the large-scale structures. Their influence is more or less invisible in the main velocity field statistics or in the statistics of the temperature fields at Prandtl numbers around 1. However, these structures play visible role in the temperature fluctuations at low Prandtl number, where high temperature diffusivity effectively smears the small-scale structures in the thermal field and enhances the relative contribution of large-scales. These large thermal structures represent some kind of an echo of the large scale velocity structures: the highest temperature-velocity correlations are not observed between the instantaneous temperatures and instantaneous streamwise velocities, but between the instantaneous temperatures and velocities averaged over certain time interval.

A Zonal Approach for Prediction of Jet Noise

NASA Technical Reports Server (NTRS)

Shih, S. H.; Hixon, D. R.; Mankbadi, Reda R.

1995-01-01

A zonal approach for direct computation of sound generation and propagation from a supersonic jet is investigated. The present work splits the computational domain into a nonlinear, acoustic-source regime and a linear acoustic wave propagation regime. In the nonlinear regime, the unsteady flow is governed by the large-scale equations, which are the filtered compressible Navier-Stokes equations. In the linear acoustic regime, the sound wave propagation is described by the linearized Euler equations. Computational results are presented for a supersonic jet at M = 2. 1. It is demonstrated that no spurious modes are generated in the matching region and the computational expense is reduced substantially as opposed to fully large-scale simulation.

Processing Shotgun Proteomics Data on the Amazon Cloud with the Trans-Proteomic Pipeline*

PubMed Central

Slagel, Joseph; Mendoza, Luis; Shteynberg, David; Deutsch, Eric W.; Moritz, Robert L.

2015-01-01

Cloud computing, where scalable, on-demand compute cycles and storage are available as a service, has the potential to accelerate mass spectrometry-based proteomics research by providing simple, expandable, and affordable large-scale computing to all laboratories regardless of location or information technology expertise. We present new cloud computing functionality for the Trans-Proteomic Pipeline, a free and open-source suite of tools for the processing and analysis of tandem mass spectrometry datasets. Enabled with Amazon Web Services cloud computing, the Trans-Proteomic Pipeline now accesses large scale computing resources, limited only by the available Amazon Web Services infrastructure, for all users. The Trans-Proteomic Pipeline runs in an environment fully hosted on Amazon Web Services, where all software and data reside on cloud resources to tackle large search studies. In addition, it can also be run on a local computer with computationally intensive tasks launched onto the Amazon Elastic Compute Cloud service to greatly decrease analysis times. We describe the new Trans-Proteomic Pipeline cloud service components, compare the relative performance and costs of various Elastic Compute Cloud service instance types, and present on-line tutorials that enable users to learn how to deploy cloud computing technology rapidly with the Trans-Proteomic Pipeline. We provide tools for estimating the necessary computing resources and costs given the scale of a job and demonstrate the use of cloud enabled Trans-Proteomic Pipeline by performing over 1100 tandem mass spectrometry files through four proteomic search engines in 9 h and at a very low cost. PMID:25418363

Processing shotgun proteomics data on the Amazon cloud with the trans-proteomic pipeline.

PubMed

Slagel, Joseph; Mendoza, Luis; Shteynberg, David; Deutsch, Eric W; Moritz, Robert L

2015-02-01

Cloud computing, where scalable, on-demand compute cycles and storage are available as a service, has the potential to accelerate mass spectrometry-based proteomics research by providing simple, expandable, and affordable large-scale computing to all laboratories regardless of location or information technology expertise. We present new cloud computing functionality for the Trans-Proteomic Pipeline, a free and open-source suite of tools for the processing and analysis of tandem mass spectrometry datasets. Enabled with Amazon Web Services cloud computing, the Trans-Proteomic Pipeline now accesses large scale computing resources, limited only by the available Amazon Web Services infrastructure, for all users. The Trans-Proteomic Pipeline runs in an environment fully hosted on Amazon Web Services, where all software and data reside on cloud resources to tackle large search studies. In addition, it can also be run on a local computer with computationally intensive tasks launched onto the Amazon Elastic Compute Cloud service to greatly decrease analysis times. We describe the new Trans-Proteomic Pipeline cloud service components, compare the relative performance and costs of various Elastic Compute Cloud service instance types, and present on-line tutorials that enable users to learn how to deploy cloud computing technology rapidly with the Trans-Proteomic Pipeline. We provide tools for estimating the necessary computing resources and costs given the scale of a job and demonstrate the use of cloud enabled Trans-Proteomic Pipeline by performing over 1100 tandem mass spectrometry files through four proteomic search engines in 9 h and at a very low cost. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Visualization, documentation, analysis, and communication of large scale gene regulatory networks

PubMed Central

Longabaugh, William J.R.; Davidson, Eric H.; Bolouri, Hamid

2009-01-01

Summary Genetic regulatory networks (GRNs) are complex, large-scale, and spatially and temporally distributed. These characteristics impose challenging demands on computational GRN modeling tools, and there is a need for custom modeling tools. In this paper, we report on our ongoing development of BioTapestry, an open source, freely available computational tool designed specifically for GRN modeling. We also outline our future development plans, and give some examples of current applications of BioTapestry. PMID:18757046

Particle physics and polyedra proximity calculation for hazard simulations in large-scale industrial plants

NASA Astrophysics Data System (ADS)

Plebe, Alice; Grasso, Giorgio

2016-12-01

This paper describes a system developed for the simulation of flames inside an open-source 3D computer graphic software, Blender, with the aim of analyzing in virtual reality scenarios of hazards in large-scale industrial plants. The advantages of Blender are of rendering at high resolution the very complex structure of large industrial plants, and of embedding a physical engine based on smoothed particle hydrodynamics. This particle system is used to evolve a simulated fire. The interaction of this fire with the components of the plant is computed using polyhedron separation distance, adopting a Voronoi-based strategy that optimizes the number of feature distance computations. Results on a real oil and gas refining industry are presented.

Cloud Computing for Complex Performance Codes.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Appel, Gordon John; Hadgu, Teklu; Klein, Brandon Thorin

This report describes the use of cloud computing services for running complex public domain performance assessment problems. The work consisted of two phases: Phase 1 was to demonstrate complex codes, on several differently configured servers, could run and compute trivial small scale problems in a commercial cloud infrastructure. Phase 2 focused on proving non-trivial large scale problems could be computed in the commercial cloud environment. The cloud computing effort was successfully applied using codes of interest to the geohydrology and nuclear waste disposal modeling community.

Human-Machine Cooperation in Large-Scale Multimedia Retrieval: A Survey

ERIC Educational Resources Information Center

Shirahama, Kimiaki; Grzegorzek, Marcin; Indurkhya, Bipin

2015-01-01

"Large-Scale Multimedia Retrieval" (LSMR) is the task to fast analyze a large amount of multimedia data like images or videos and accurately find the ones relevant to a certain semantic meaning. Although LSMR has been investigated for more than two decades in the fields of multimedia processing and computer vision, a more…

Advances in Parallelization for Large Scale Oct-Tree Mesh Generation

NASA Technical Reports Server (NTRS)

O'Connell, Matthew; Karman, Steve L.

2015-01-01

Despite great advancements in the parallelization of numerical simulation codes over the last 20 years, it is still common to perform grid generation in serial. Generating large scale grids in serial often requires using special "grid generation" compute machines that can have more than ten times the memory of average machines. While some parallel mesh generation techniques have been proposed, generating very large meshes for LES or aeroacoustic simulations is still a challenging problem. An automated method for the parallel generation of very large scale off-body hierarchical meshes is presented here. This work enables large scale parallel generation of off-body meshes by using a novel combination of parallel grid generation techniques and a hybrid "top down" and "bottom up" oct-tree method. Meshes are generated using hardware commonly found in parallel compute clusters. The capability to generate very large meshes is demonstrated by the generation of off-body meshes surrounding complex aerospace geometries. Results are shown including a one billion cell mesh generated around a Predator Unmanned Aerial Vehicle geometry, which was generated on 64 processors in under 45 minutes.

Linear Scaling Density Functional Calculations with Gaussian Orbitals

NASA Technical Reports Server (NTRS)

Scuseria, Gustavo E.

1999-01-01

Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

A novel representation of groundwater dynamics in large-scale land surface modelling

NASA Astrophysics Data System (ADS)

Rahman, Mostaquimur; Rosolem, Rafael; Kollet, Stefan

2017-04-01

Land surface processes are connected to groundwater dynamics via shallow soil moisture. For example, groundwater affects evapotranspiration (by influencing the variability of soil moisture) and runoff generation mechanisms. However, contemporary Land Surface Models (LSM) generally consider isolated soil columns and free drainage lower boundary condition for simulating hydrology. This is mainly due to the fact that incorporating detailed groundwater dynamics in LSMs usually requires considerable computing resources, especially for large-scale applications (e.g., continental to global). Yet, these simplifications undermine the potential effect of groundwater dynamics on land surface mass and energy fluxes. In this study, we present a novel approach of representing high-resolution groundwater dynamics in LSMs that is computationally efficient for large-scale applications. This new parameterization is incorporated in the Joint UK Land Environment Simulator (JULES) and tested at the continental-scale.

Users matter : multi-agent systems model of high performance computing cluster users.

DOE Office of Scientific and Technical Information (OSTI.GOV)

North, M. J.; Hood, C. S.; Decision and Information Sciences

2005-01-01

High performance computing clusters have been a critical resource for computational science for over a decade and have more recently become integral to large-scale industrial analysis. Despite their well-specified components, the aggregate behavior of clusters is poorly understood. The difficulties arise from complicated interactions between cluster components during operation. These interactions have been studied by many researchers, some of whom have identified the need for holistic multi-scale modeling that simultaneously includes network level, operating system level, process level, and user level behaviors. Each of these levels presents its own modeling challenges, but the user level is the most complex duemore » to the adaptability of human beings. In this vein, there are several major user modeling goals, namely descriptive modeling, predictive modeling and automated weakness discovery. This study shows how multi-agent techniques were used to simulate a large-scale computing cluster at each of these levels.« less

Blueprint for a microwave trapped ion quantum computer

PubMed Central

Lekitsch, Bjoern; Weidt, Sebastian; Fowler, Austin G.; Mølmer, Klaus; Devitt, Simon J.; Wunderlich, Christof; Hensinger, Winfried K.

2017-01-01

The availability of a universal quantum computer may have a fundamental impact on a vast number of research fields and on society as a whole. An increasingly large scientific and industrial community is working toward the realization of such a device. An arbitrarily large quantum computer may best be constructed using a modular approach. We present a blueprint for a trapped ion–based scalable quantum computer module, making it possible to create a scalable quantum computer architecture based on long-wavelength radiation quantum gates. The modules control all operations as stand-alone units, are constructed using silicon microfabrication techniques, and are within reach of current technology. To perform the required quantum computations, the modules make use of long-wavelength radiation–based quantum gate technology. To scale this microwave quantum computer architecture to a large size, we present a fully scalable design that makes use of ion transport between different modules, thereby allowing arbitrarily many modules to be connected to construct a large-scale device. A high error–threshold surface error correction code can be implemented in the proposed architecture to execute fault-tolerant operations. With appropriate adjustments, the proposed modules are also suitable for alternative trapped ion quantum computer architectures, such as schemes using photonic interconnects. PMID:28164154

Translational bioinformatics in the cloud: an affordable alternative

PubMed Central

2010-01-01

With the continued exponential expansion of publicly available genomic data and access to low-cost, high-throughput molecular technologies for profiling patient populations, computational technologies and informatics are becoming vital considerations in genomic medicine. Although cloud computing technology is being heralded as a key enabling technology for the future of genomic research, available case studies are limited to applications in the domain of high-throughput sequence data analysis. The goal of this study was to evaluate the computational and economic characteristics of cloud computing in performing a large-scale data integration and analysis representative of research problems in genomic medicine. We find that the cloud-based analysis compares favorably in both performance and cost in comparison to a local computational cluster, suggesting that cloud computing technologies might be a viable resource for facilitating large-scale translational research in genomic medicine. PMID:20691073

A large-scale computer facility for computational aerodynamics

NASA Technical Reports Server (NTRS)

Bailey, F. R.; Ballhaus, W. F., Jr.

1985-01-01

As a result of advances related to the combination of computer system technology and numerical modeling, computational aerodynamics has emerged as an essential element in aerospace vehicle design methodology. NASA has, therefore, initiated the Numerical Aerodynamic Simulation (NAS) Program with the objective to provide a basis for further advances in the modeling of aerodynamic flowfields. The Program is concerned with the development of a leading-edge, large-scale computer facility. This facility is to be made available to Government agencies, industry, and universities as a necessary element in ensuring continuing leadership in computational aerodynamics and related disciplines. Attention is given to the requirements for computational aerodynamics, the principal specific goals of the NAS Program, the high-speed processor subsystem, the workstation subsystem, the support processing subsystem, the graphics subsystem, the mass storage subsystem, the long-haul communication subsystem, the high-speed data-network subsystem, and software.

Computers in Electrical Engineering Education at Virginia Polytechnic Institute.

ERIC Educational Resources Information Center

Bennett, A. Wayne

1982-01-01

Discusses use of computers in Electrical Engineering (EE) at Virginia Polytechnic Institute. Topics include: departmental background, level of computing power using large scale systems, mini and microcomputers, use of digital logic trainers and analog/hybrid computers, comments on integrating computers into EE curricula, and computer use in…

Large-scale inverse model analyses employing fast randomized data reduction

NASA Astrophysics Data System (ADS)

Lin, Youzuo; Le, Ellen B.; O'Malley, Daniel; Vesselinov, Velimir V.; Bui-Thanh, Tan

2017-08-01

When the number of observations is large, it is computationally challenging to apply classical inverse modeling techniques. We have developed a new computationally efficient technique for solving inverse problems with a large number of observations (e.g., on the order of 107 or greater). Our method, which we call the randomized geostatistical approach (RGA), is built upon the principal component geostatistical approach (PCGA). We employ a data reduction technique combined with the PCGA to improve the computational efficiency and reduce the memory usage. Specifically, we employ a randomized numerical linear algebra technique based on a so-called "sketching" matrix to effectively reduce the dimension of the observations without losing the information content needed for the inverse analysis. In this way, the computational and memory costs for RGA scale with the information content rather than the size of the calibration data. Our algorithm is coded in Julia and implemented in the MADS open-source high-performance computational framework (http://mads.lanl.gov). We apply our new inverse modeling method to invert for a synthetic transmissivity field. Compared to a standard geostatistical approach (GA), our method is more efficient when the number of observations is large. Most importantly, our method is capable of solving larger inverse problems than the standard GA and PCGA approaches. Therefore, our new model inversion method is a powerful tool for solving large-scale inverse problems. The method can be applied in any field and is not limited to hydrogeological applications such as the characterization of aquifer heterogeneity.

Performance/price estimates for cortex-scale hardware: a design space exploration.

PubMed

Zaveri, Mazad S; Hammerstrom, Dan

2011-04-01

In this paper, we revisit the concept of virtualization. Virtualization is useful for understanding and investigating the performance/price and other trade-offs related to the hardware design space. Moreover, it is perhaps the most important aspect of a hardware design space exploration. Such a design space exploration is a necessary part of the study of hardware architectures for large-scale computational models for intelligent computing, including AI, Bayesian, bio-inspired and neural models. A methodical exploration is needed to identify potentially interesting regions in the design space, and to assess the relative performance/price points of these implementations. As an example, in this paper we investigate the performance/price of (digital and mixed-signal) CMOS and hypothetical CMOL (nanogrid) technology based hardware implementations of human cortex-scale spiking neural systems. Through this analysis, and the resulting performance/price points, we demonstrate, in general, the importance of virtualization, and of doing these kinds of design space explorations. The specific results suggest that hybrid nanotechnology such as CMOL is a promising candidate to implement very large-scale spiking neural systems, providing a more efficient utilization of the density and storage benefits of emerging nano-scale technologies. In general, we believe that the study of such hypothetical designs/architectures will guide the neuromorphic hardware community towards building large-scale systems, and help guide research trends in intelligent computing, and computer engineering. Copyright © 2010 Elsevier Ltd. All rights reserved.

Towards the computation of time-periodic inertial range dynamics

NASA Astrophysics Data System (ADS)

van Veen, L.; Vela-Martín, A.; Kawahara, G.

2018-04-01

We explore the possibility of computing simple invariant solutions, like travelling waves or periodic orbits, in Large Eddy Simulation (LES) on a periodic domain with constant external forcing. The absence of material boundaries and the simple forcing mechanism make this system a comparatively simple target for the study of turbulent dynamics through invariant solutions. We show, that in spite of the application of eddy viscosity the computations are still rather challenging and must be performed on GPU cards rather than conventional coupled CPUs. We investigate the onset of turbulence in this system by means of bifurcation analysis, and present a long-period, large-amplitude unstable periodic orbit that is filtered from a turbulent time series. Although this orbit is computed on a coarse grid, with only a small separation between the integral scale and the LES filter length, the periodic dynamics seem to capture a regeneration process of the large-scale vortices.

Real Time Text Analysis

NASA Astrophysics Data System (ADS)

Senthilkumar, K.; Ruchika Mehra Vijayan, E.

2017-11-01

This paper aims to illustrate real time analysis of large scale data. For practical implementation we are performing sentiment analysis on live Twitter feeds for each individual tweet. To analyze sentiments we will train our data model on sentiWordNet, a polarity assigned wordNet sample by Princeton University. Our main objective will be to efficiency analyze large scale data on the fly using distributed computation. Apache Spark and Apache Hadoop eco system is used as distributed computation platform with Java as development language

Traffic Simulations on Parallel Computers Using Domain Decomposition Techniques

DOT National Transportation Integrated Search

1995-01-01

Large scale simulations of Intelligent Transportation Systems (ITS) can only be acheived by using the computing resources offered by parallel computing architectures. Domain decomposition techniques are proposed which allow the performance of traffic...

Developing eThread pipeline using SAGA-pilot abstraction for large-scale structural bioinformatics.

PubMed

Ragothaman, Anjani; Boddu, Sairam Chowdary; Kim, Nayong; Feinstein, Wei; Brylinski, Michal; Jha, Shantenu; Kim, Joohyun

2014-01-01

While most of computational annotation approaches are sequence-based, threading methods are becoming increasingly attractive because of predicted structural information that could uncover the underlying function. However, threading tools are generally compute-intensive and the number of protein sequences from even small genomes such as prokaryotes is large typically containing many thousands, prohibiting their application as a genome-wide structural systems biology tool. To leverage its utility, we have developed a pipeline for eThread--a meta-threading protein structure modeling tool, that can use computational resources efficiently and effectively. We employ a pilot-based approach that supports seamless data and task-level parallelism and manages large variation in workload and computational requirements. Our scalable pipeline is deployed on Amazon EC2 and can efficiently select resources based upon task requirements. We present runtime analysis to characterize computational complexity of eThread and EC2 infrastructure. Based on results, we suggest a pathway to an optimized solution with respect to metrics such as time-to-solution or cost-to-solution. Our eThread pipeline can scale to support a large number of sequences and is expected to be a viable solution for genome-scale structural bioinformatics and structure-based annotation, particularly, amenable for small genomes such as prokaryotes. The developed pipeline is easily extensible to other types of distributed cyberinfrastructure.

Developing eThread Pipeline Using SAGA-Pilot Abstraction for Large-Scale Structural Bioinformatics

PubMed Central

Ragothaman, Anjani; Feinstein, Wei; Jha, Shantenu; Kim, Joohyun

2014-01-01

While most of computational annotation approaches are sequence-based, threading methods are becoming increasingly attractive because of predicted structural information that could uncover the underlying function. However, threading tools are generally compute-intensive and the number of protein sequences from even small genomes such as prokaryotes is large typically containing many thousands, prohibiting their application as a genome-wide structural systems biology tool. To leverage its utility, we have developed a pipeline for eThread—a meta-threading protein structure modeling tool, that can use computational resources efficiently and effectively. We employ a pilot-based approach that supports seamless data and task-level parallelism and manages large variation in workload and computational requirements. Our scalable pipeline is deployed on Amazon EC2 and can efficiently select resources based upon task requirements. We present runtime analysis to characterize computational complexity of eThread and EC2 infrastructure. Based on results, we suggest a pathway to an optimized solution with respect to metrics such as time-to-solution or cost-to-solution. Our eThread pipeline can scale to support a large number of sequences and is expected to be a viable solution for genome-scale structural bioinformatics and structure-based annotation, particularly, amenable for small genomes such as prokaryotes. The developed pipeline is easily extensible to other types of distributed cyberinfrastructure. PMID:24995285

Geocomputation over Hybrid Computer Architecture and Systems: Prior Works and On-going Initiatives at UARK

NASA Astrophysics Data System (ADS)

Shi, X.

2015-12-01

As NSF indicated - "Theory and experimentation have for centuries been regarded as two fundamental pillars of science. It is now widely recognized that computational and data-enabled science forms a critical third pillar." Geocomputation is the third pillar of GIScience and geosciences. With the exponential growth of geodata, the challenge of scalable and high performance computing for big data analytics become urgent because many research activities are constrained by the inability of software or tool that even could not complete the computation process. Heterogeneous geodata integration and analytics obviously magnify the complexity and operational time frame. Many large-scale geospatial problems may be not processable at all if the computer system does not have sufficient memory or computational power. Emerging computer architectures, such as Intel's Many Integrated Core (MIC) Architecture and Graphics Processing Unit (GPU), and advanced computing technologies provide promising solutions to employ massive parallelism and hardware resources to achieve scalability and high performance for data intensive computing over large spatiotemporal and social media data. Exploring novel algorithms and deploying the solutions in massively parallel computing environment to achieve the capability for scalable data processing and analytics over large-scale, complex, and heterogeneous geodata with consistent quality and high-performance has been the central theme of our research team in the Department of Geosciences at the University of Arkansas (UARK). New multi-core architectures combined with application accelerators hold the promise to achieve scalability and high performance by exploiting task and data levels of parallelism that are not supported by the conventional computing systems. Such a parallel or distributed computing environment is particularly suitable for large-scale geocomputation over big data as proved by our prior works, while the potential of such advanced infrastructure remains unexplored in this domain. Within this presentation, our prior and on-going initiatives will be summarized to exemplify how we exploit multicore CPUs, GPUs, and MICs, and clusters of CPUs, GPUs and MICs, to accelerate geocomputation in different applications.

Extracting Useful Semantic Information from Large Scale Corpora of Text

ERIC Educational Resources Information Center

Mendoza, Ray Padilla, Jr.

2012-01-01

Extracting and representing semantic information from large scale corpora is at the crux of computer-assisted knowledge generation. Semantic information depends on collocation extraction methods, mathematical models used to represent distributional information, and weighting functions which transform the space. This dissertation provides a…

Large Scale Flutter Data for Design of Rotating Blades Using Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.

2012-01-01

A procedure to compute flutter boundaries of rotating blades is presented; a) Navier-Stokes equations. b) Frequency domain method compatible with industry practice. Procedure is initially validated: a) Unsteady loads with flapping wing experiment. b) Flutter boundary with fixed wing experiment. Large scale flutter computation is demonstrated for rotating blade: a) Single job submission script. b) Flutter boundary in 24 hour wall clock time with 100 cores. c) Linearly scalable with number of cores. Tested with 1000 cores that produced data in 25 hrs for 10 flutter boundaries. Further wall-clock speed-up is possible by performing parallel computations within each case.

Three-dimensional time dependent computation of turbulent flow

NASA Technical Reports Server (NTRS)

Kwak, D.; Reynolds, W. C.; Ferziger, J. H.

1975-01-01

The three-dimensional, primitive equations of motion are solved numerically for the case of isotropic box turbulence and the distortion of homogeneous turbulence by irrotational plane strain at large Reynolds numbers. A Gaussian filter is applied to governing equations to define the large scale field. This gives rise to additional second order computed scale stresses (Leonard stresses). The residual stresses are simulated through an eddy viscosity. Uniform grids are used, with a fourth order differencing scheme in space and a second order Adams-Bashforth predictor for explicit time stepping. The results are compared to the experiments and statistical information extracted from the computer generated data.

An interactive display system for large-scale 3D models

NASA Astrophysics Data System (ADS)

Liu, Zijian; Sun, Kun; Tao, Wenbing; Liu, Liman

2018-04-01

With the improvement of 3D reconstruction theory and the rapid development of computer hardware technology, the reconstructed 3D models are enlarging in scale and increasing in complexity. Models with tens of thousands of 3D points or triangular meshes are common in practical applications. Due to storage and computing power limitation, it is difficult to achieve real-time display and interaction with large scale 3D models for some common 3D display software, such as MeshLab. In this paper, we propose a display system for large-scale 3D scene models. We construct the LOD (Levels of Detail) model of the reconstructed 3D scene in advance, and then use an out-of-core view-dependent multi-resolution rendering scheme to realize the real-time display of the large-scale 3D model. With the proposed method, our display system is able to render in real time while roaming in the reconstructed scene and 3D camera poses can also be displayed. Furthermore, the memory consumption can be significantly decreased via internal and external memory exchange mechanism, so that it is possible to display a large scale reconstructed scene with over millions of 3D points or triangular meshes in a regular PC with only 4GB RAM.

Multi-level discriminative dictionary learning with application to large scale image classification.

PubMed

Shen, Li; Sun, Gang; Huang, Qingming; Wang, Shuhui; Lin, Zhouchen; Wu, Enhua

2015-10-01

The sparse coding technique has shown flexibility and capability in image representation and analysis. It is a powerful tool in many visual applications. Some recent work has shown that incorporating the properties of task (such as discrimination for classification task) into dictionary learning is effective for improving the accuracy. However, the traditional supervised dictionary learning methods suffer from high computation complexity when dealing with large number of categories, making them less satisfactory in large scale applications. In this paper, we propose a novel multi-level discriminative dictionary learning method and apply it to large scale image classification. Our method takes advantage of hierarchical category correlation to encode multi-level discriminative information. Each internal node of the category hierarchy is associated with a discriminative dictionary and a classification model. The dictionaries at different layers are learnt to capture the information of different scales. Moreover, each node at lower layers also inherits the dictionary of its parent, so that the categories at lower layers can be described with multi-scale information. The learning of dictionaries and associated classification models is jointly conducted by minimizing an overall tree loss. The experimental results on challenging data sets demonstrate that our approach achieves excellent accuracy and competitive computation cost compared with other sparse coding methods for large scale image classification.

Approximate kernel competitive learning.

PubMed

Wu, Jian-Sheng; Zheng, Wei-Shi; Lai, Jian-Huang

2015-03-01

Kernel competitive learning has been successfully used to achieve robust clustering. However, kernel competitive learning (KCL) is not scalable for large scale data processing, because (1) it has to calculate and store the full kernel matrix that is too large to be calculated and kept in the memory and (2) it cannot be computed in parallel. In this paper we develop a framework of approximate kernel competitive learning for processing large scale dataset. The proposed framework consists of two parts. First, it derives an approximate kernel competitive learning (AKCL), which learns kernel competitive learning in a subspace via sampling. We provide solid theoretical analysis on why the proposed approximation modelling would work for kernel competitive learning, and furthermore, we show that the computational complexity of AKCL is largely reduced. Second, we propose a pseudo-parallelled approximate kernel competitive learning (PAKCL) based on a set-based kernel competitive learning strategy, which overcomes the obstacle of using parallel programming in kernel competitive learning and significantly accelerates the approximate kernel competitive learning for large scale clustering. The empirical evaluation on publicly available datasets shows that the proposed AKCL and PAKCL can perform comparably as KCL, with a large reduction on computational cost. Also, the proposed methods achieve more effective clustering performance in terms of clustering precision against related approximate clustering approaches. Copyright © 2014 Elsevier Ltd. All rights reserved.

On the impact of approximate computation in an analog DeSTIN architecture.

PubMed

Young, Steven; Lu, Junjie; Holleman, Jeremy; Arel, Itamar

2014-05-01

Deep machine learning (DML) holds the potential to revolutionize machine learning by automating rich feature extraction, which has become the primary bottleneck of human engineering in pattern recognition systems. However, the heavy computational burden renders DML systems implemented on conventional digital processors impractical for large-scale problems. The highly parallel computations required to implement large-scale deep learning systems are well suited to custom hardware. Analog computation has demonstrated power efficiency advantages of multiple orders of magnitude relative to digital systems while performing nonideal computations. In this paper, we investigate typical error sources introduced by analog computational elements and their impact on system-level performance in DeSTIN--a compositional deep learning architecture. These inaccuracies are evaluated on a pattern classification benchmark, clearly demonstrating the robustness of the underlying algorithm to the errors introduced by analog computational elements. A clear understanding of the impacts of nonideal computations is necessary to fully exploit the efficiency of analog circuits.

Strategies for Large Scale Implementation of a Multiscale, Multiprocess Integrated Hydrologic Model

NASA Astrophysics Data System (ADS)

Kumar, M.; Duffy, C.

2006-05-01

Distributed models simulate hydrologic state variables in space and time while taking into account the heterogeneities in terrain, surface, subsurface properties and meteorological forcings. Computational cost and complexity associated with these model increases with its tendency to accurately simulate the large number of interacting physical processes at fine spatio-temporal resolution in a large basin. A hydrologic model run on a coarse spatial discretization of the watershed with limited number of physical processes needs lesser computational load. But this negatively affects the accuracy of model results and restricts physical realization of the problem. So it is imperative to have an integrated modeling strategy (a) which can be universally applied at various scales in order to study the tradeoffs between computational complexity (determined by spatio- temporal resolution), accuracy and predictive uncertainty in relation to various approximations of physical processes (b) which can be applied at adaptively different spatial scales in the same domain by taking into account the local heterogeneity of topography and hydrogeologic variables c) which is flexible enough to incorporate different number and approximation of process equations depending on model purpose and computational constraint. An efficient implementation of this strategy becomes all the more important for Great Salt Lake river basin which is relatively large (~89000 sq. km) and complex in terms of hydrologic and geomorphic conditions. Also the types and the time scales of hydrologic processes which are dominant in different parts of basin are different. Part of snow melt runoff generated in the Uinta Mountains infiltrates and contributes as base flow to the Great Salt Lake over a time scale of decades to centuries. The adaptive strategy helps capture the steep topographic and climatic gradient along the Wasatch front. Here we present the aforesaid modeling strategy along with an associated hydrologic modeling framework which facilitates a seamless, computationally efficient and accurate integration of the process model with the data model. The flexibility of this framework leads to implementation of multiscale, multiresolution, adaptive refinement/de-refinement and nested modeling simulations with least computational burden. However, performing these simulations and related calibration of these models over a large basin at higher spatio- temporal resolutions is computationally intensive and requires use of increasing computing power. With the advent of parallel processing architectures, high computing performance can be achieved by parallelization of existing serial integrated-hydrologic-model code. This translates to running the same model simulation on a network of large number of processors thereby reducing the time needed to obtain solution. The paper also discusses the implementation of the integrated model on parallel processors. Also will be discussed the mapping of the problem on multi-processor environment, method to incorporate coupling between hydrologic processes using interprocessor communication models, model data structure and parallel numerical algorithms to obtain high performance.

pycola: N-body COLA method code

NASA Astrophysics Data System (ADS)

Tassev, Svetlin; Eisenstein, Daniel J.; Wandelt, Benjamin D.; Zaldarriagag, Matias

2015-09-01

pycola is a multithreaded Python/Cython N-body code, implementing the Comoving Lagrangian Acceleration (COLA) method in the temporal and spatial domains, which trades accuracy at small-scales to gain computational speed without sacrificing accuracy at large scales. This is especially useful for cheaply generating large ensembles of accurate mock halo catalogs required to study galaxy clustering and weak lensing. The COLA method achieves its speed by calculating the large-scale dynamics exactly using LPT while letting the N-body code solve for the small scales, without requiring it to capture exactly the internal dynamics of halos.

Dynamic displacement measurement of large-scale structures based on the Lucas-Kanade template tracking algorithm

NASA Astrophysics Data System (ADS)

Guo, Jie; Zhu, Chang`an

2016-01-01

The development of optics and computer technologies enables the application of the vision-based technique that uses digital cameras to the displacement measurement of large-scale structures. Compared with traditional contact measurements, vision-based technique allows for remote measurement, has a non-intrusive characteristic, and does not necessitate mass introduction. In this study, a high-speed camera system is developed to complete the displacement measurement in real time. The system consists of a high-speed camera and a notebook computer. The high-speed camera can capture images at a speed of hundreds of frames per second. To process the captured images in computer, the Lucas-Kanade template tracking algorithm in the field of computer vision is introduced. Additionally, a modified inverse compositional algorithm is proposed to reduce the computing time of the original algorithm and improve the efficiency further. The modified algorithm can rapidly accomplish one displacement extraction within 1 ms without having to install any pre-designed target panel onto the structures in advance. The accuracy and the efficiency of the system in the remote measurement of dynamic displacement are demonstrated in the experiments on motion platform and sound barrier on suspension viaduct. Experimental results show that the proposed algorithm can extract accurate displacement signal and accomplish the vibration measurement of large-scale structures.

InfoSymbiotics/DDDAS - The power of Dynamic Data Driven Applications Systems for New Capabilities in Environmental -, Geo-, and Space- Sciences

NASA Astrophysics Data System (ADS)

Darema, F.

2016-12-01

InfoSymbiotics/DDDAS embodies the power of Dynamic Data Driven Applications Systems (DDDAS), a concept whereby an executing application model is dynamically integrated, in a feed-back loop, with the real-time data-acquisition and control components, as well as other data sources of the application system. Advanced capabilities can be created through such new computational approaches in modeling and simulations, and in instrumentation methods, and include: enhancing the accuracy of the application model; speeding-up the computation to allow faster and more comprehensive models of a system, and create decision support systems with the accuracy of full-scale simulations; in addition, the notion of controlling instrumentation processes by the executing application results in more efficient management of application-data and addresses challenges of how to architect and dynamically manage large sets of heterogeneous sensors and controllers, an advance over the static and ad-hoc ways of today - with DDDAS these sets of resources can be managed adaptively and in optimized ways. Large-Scale-Dynamic-Data encompasses the next wave of Big Data, and namely dynamic data arising from ubiquitous sensing and control in engineered, natural, and societal systems, through multitudes of heterogeneous sensors and controllers instrumenting these systems, and where opportunities and challenges at these "large-scales" relate not only to data size but the heterogeneity in data, data collection modalities, fidelities, and timescales, ranging from real-time data to archival data. In tandem with this important dimension of dynamic data, there is an extended view of Big Computing, which includes the collective computing by networked assemblies of multitudes of sensors and controllers, this range from the high-end to the real-time seamlessly integrated and unified, and comprising the Large-Scale-Big-Computing. InfoSymbiotics/DDDAS engenders transformative impact in many application domains, ranging from the nano-scale to the terra-scale and to the extra-terra-scale. The talk will address opportunities for new capabilities together with corresponding research challenges, with illustrative examples from several application areas including environmental sciences, geosciences, and space sciences.

Large scale systems : a study of computer organizations for air traffic control applications.

DOT National Transportation Integrated Search

1971-06-01

Based on current sizing estimates and tracking algorithms, some computer organizations applicable to future air traffic control computing systems are described and assessed. Hardware and software problem areas are defined and solutions are outlined.

Advanced computer architecture for large-scale real-time applications.

DOT National Transportation Integrated Search

1973-04-01

Air traffic control automation is identified as a crucial problem which provides a complex, real-time computer application environment. A novel computer architecture in the form of a pipeline associative processor is conceived to achieve greater perf...

Sensitivity analysis for large-scale problems

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Whitworth, Sandra L.

1987-01-01

The development of efficient techniques for calculating sensitivity derivatives is studied. The objective is to present a computational procedure for calculating sensitivity derivatives as part of performing structural reanalysis for large-scale problems. The scope is limited to framed type structures. Both linear static analysis and free-vibration eigenvalue problems are considered.

Framing Innovation: Do Professional Learning Communities Influence Acceptance of Large-Scale Technology Initiatives?

ERIC Educational Resources Information Center

Nolin, Anna P.

2014-01-01

This study explored the role of professional learning communities for district leadership implementing large-scale technology initiatives such as 1:1 implementations (one computing device for every student). The existing literature regarding technology leadership is limited, as is literature on how districts use existing collaborative structures…

Java Performance for Scientific Applications on LLNL Computer Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kapfer, C; Wissink, A

2002-05-10

Languages in use for high performance computing at the laboratory--Fortran (f77 and f90), C, and C++--have many years of development behind them and are generally considered the fastest available. However, Fortran and C do not readily extend to object-oriented programming models, limiting their capability for very complex simulation software. C++ facilitates object-oriented programming but is a very complex and error-prone language. Java offers a number of capabilities that these other languages do not. For instance it implements cleaner (i.e., easier to use and less prone to errors) object-oriented models than C++. It also offers networking and security as part ofmore » the language standard, and cross-platform executables that make it architecture neutral, to name a few. These features have made Java very popular for industrial computing applications. The aim of this paper is to explain the trade-offs in using Java for large-scale scientific applications at LLNL. Despite its advantages, the computational science community has been reluctant to write large-scale computationally intensive applications in Java due to concerns over its poor performance. However, considerable progress has been made over the last several years. The Java Grande Forum [1] has been promoting the use of Java for large-scale computing. Members have introduced efficient array libraries, developed fast just-in-time (JIT) compilers, and built links to existing packages used in high performance parallel computing.« less

Evaluation of Kirkwood-Buff integrals via finite size scaling: a large scale molecular dynamics study

NASA Astrophysics Data System (ADS)

Dednam, W.; Botha, A. E.

2015-01-01

Solvation of bio-molecules in water is severely affected by the presence of co-solvent within the hydration shell of the solute structure. Furthermore, since solute molecules can range from small molecules, such as methane, to very large protein structures, it is imperative to understand the detailed structure-function relationship on the microscopic level. For example, it is useful know the conformational transitions that occur in protein structures. Although such an understanding can be obtained through large-scale molecular dynamic simulations, it is often the case that such simulations would require excessively large simulation times. In this context, Kirkwood-Buff theory, which connects the microscopic pair-wise molecular distributions to global thermodynamic properties, together with the recently developed technique, called finite size scaling, may provide a better method to reduce system sizes, and hence also the computational times. In this paper, we present molecular dynamics trial simulations of biologically relevant low-concentration solvents, solvated by aqueous co-solvent solutions. In particular we compare two different methods of calculating the relevant Kirkwood-Buff integrals. The first (traditional) method computes running integrals over the radial distribution functions, which must be obtained from large system-size NVT or NpT simulations. The second, newer method, employs finite size scaling to obtain the Kirkwood-Buff integrals directly by counting the particle number fluctuations in small, open sub-volumes embedded within a larger reservoir that can be well approximated by a much smaller simulation cell. In agreement with previous studies, which made a similar comparison for aqueous co-solvent solutions, without the additional solvent, we conclude that the finite size scaling method is also applicable to the present case, since it can produce computationally more efficient results which are equivalent to the more costly radial distribution function method.

Towards Portable Large-Scale Image Processing with High-Performance Computing.

PubMed

Huo, Yuankai; Blaber, Justin; Damon, Stephen M; Boyd, Brian D; Bao, Shunxing; Parvathaneni, Prasanna; Noguera, Camilo Bermudez; Chaganti, Shikha; Nath, Vishwesh; Greer, Jasmine M; Lyu, Ilwoo; French, William R; Newton, Allen T; Rogers, Baxter P; Landman, Bennett A

2018-05-03

High-throughput, large-scale medical image computing demands tight integration of high-performance computing (HPC) infrastructure for data storage, job distribution, and image processing. The Vanderbilt University Institute for Imaging Science (VUIIS) Center for Computational Imaging (CCI) has constructed a large-scale image storage and processing infrastructure that is composed of (1) a large-scale image database using the eXtensible Neuroimaging Archive Toolkit (XNAT), (2) a content-aware job scheduling platform using the Distributed Automation for XNAT pipeline automation tool (DAX), and (3) a wide variety of encapsulated image processing pipelines called "spiders." The VUIIS CCI medical image data storage and processing infrastructure have housed and processed nearly half-million medical image volumes with Vanderbilt Advanced Computing Center for Research and Education (ACCRE), which is the HPC facility at the Vanderbilt University. The initial deployment was natively deployed (i.e., direct installations on a bare-metal server) within the ACCRE hardware and software environments, which lead to issues of portability and sustainability. First, it could be laborious to deploy the entire VUIIS CCI medical image data storage and processing infrastructure to another HPC center with varying hardware infrastructure, library availability, and software permission policies. Second, the spiders were not developed in an isolated manner, which has led to software dependency issues during system upgrades or remote software installation. To address such issues, herein, we describe recent innovations using containerization techniques with XNAT/DAX which are used to isolate the VUIIS CCI medical image data storage and processing infrastructure from the underlying hardware and software environments. The newly presented XNAT/DAX solution has the following new features: (1) multi-level portability from system level to the application level, (2) flexible and dynamic software development and expansion, and (3) scalable spider deployment compatible with HPC clusters and local workstations.

Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers.

PubMed

Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne

2018-01-01

State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems.

Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers

PubMed Central

Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne

2018-01-01

State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems. PMID:29503613

Artificial intelligence issues related to automated computing operations

NASA Technical Reports Server (NTRS)

Hornfeck, William A.

1989-01-01

Large data processing installations represent target systems for effective applications of artificial intelligence (AI) constructs. The system organization of a large data processing facility at the NASA Marshall Space Flight Center is presented. The methodology and the issues which are related to AI application to automated operations within a large-scale computing facility are described. Problems to be addressed and initial goals are outlined.

Assignment of boundary conditions in embedded ground water flow models

USGS Publications Warehouse

Leake, S.A.

1998-01-01

Many small-scale ground water models are too small to incorporate distant aquifer boundaries. If a larger-scale model exists for the area of interest, flow and head values can be specified for boundaries in the smaller-scale model using values from the larger-scale model. Flow components along rows and columns of a large-scale block-centered finite-difference model can be interpolated to compute horizontal flow across any segment of a perimeter of a small-scale model. Head at cell centers of the larger-scale model can be interpolated to compute head at points on a model perimeter. Simple linear interpolation is proposed for horizontal interpolation of horizontal-flow components. Bilinear interpolation is proposed for horizontal interpolation of head values. The methods of interpolation provided satisfactory boundary conditions in tests using models of hypothetical aquifers.Many small-scale ground water models are too small to incorporate distant aquifer boundaries. If a larger-scale model exists for the area of interest, flow and head values can be specified for boundaries in the smaller-scale model using values from the larger-scale model. Flow components along rows and columns of a large-scale block-centered finite-difference model can be interpolated to compute horizontal flow across any segment of a perimeter of a small-scale model. Head at cell centers of the larger.scale model can be interpolated to compute head at points on a model perimeter. Simple linear interpolation is proposed for horizontal interpolation of horizontal-flow components. Bilinear interpolation is proposed for horizontal interpolation of head values. The methods of interpolation provided satisfactory boundary conditions in tests using models of hypothetical aquifers.

Requirements and principles for the implementation and construction of large-scale geographic information systems

NASA Technical Reports Server (NTRS)

Smith, Terence R.; Menon, Sudhakar; Star, Jeffrey L.; Estes, John E.

1987-01-01

This paper provides a brief survey of the history, structure and functions of 'traditional' geographic information systems (GIS), and then suggests a set of requirements that large-scale GIS should satisfy, together with a set of principles for their satisfaction. These principles, which include the systematic application of techniques from several subfields of computer science to the design and implementation of GIS and the integration of techniques from computer vision and image processing into standard GIS technology, are discussed in some detail. In particular, the paper provides a detailed discussion of questions relating to appropriate data models, data structures and computational procedures for the efficient storage, retrieval and analysis of spatially-indexed data.

A large-scale evaluation of computational protein function prediction

PubMed Central

Radivojac, Predrag; Clark, Wyatt T; Ronnen Oron, Tal; Schnoes, Alexandra M; Wittkop, Tobias; Sokolov, Artem; Graim, Kiley; Funk, Christopher; Verspoor, Karin; Ben-Hur, Asa; Pandey, Gaurav; Yunes, Jeffrey M; Talwalkar, Ameet S; Repo, Susanna; Souza, Michael L; Piovesan, Damiano; Casadio, Rita; Wang, Zheng; Cheng, Jianlin; Fang, Hai; Gough, Julian; Koskinen, Patrik; Törönen, Petri; Nokso-Koivisto, Jussi; Holm, Liisa; Cozzetto, Domenico; Buchan, Daniel W A; Bryson, Kevin; Jones, David T; Limaye, Bhakti; Inamdar, Harshal; Datta, Avik; Manjari, Sunitha K; Joshi, Rajendra; Chitale, Meghana; Kihara, Daisuke; Lisewski, Andreas M; Erdin, Serkan; Venner, Eric; Lichtarge, Olivier; Rentzsch, Robert; Yang, Haixuan; Romero, Alfonso E; Bhat, Prajwal; Paccanaro, Alberto; Hamp, Tobias; Kassner, Rebecca; Seemayer, Stefan; Vicedo, Esmeralda; Schaefer, Christian; Achten, Dominik; Auer, Florian; Böhm, Ariane; Braun, Tatjana; Hecht, Maximilian; Heron, Mark; Hönigschmid, Peter; Hopf, Thomas; Kaufmann, Stefanie; Kiening, Michael; Krompass, Denis; Landerer, Cedric; Mahlich, Yannick; Roos, Manfred; Björne, Jari; Salakoski, Tapio; Wong, Andrew; Shatkay, Hagit; Gatzmann, Fanny; Sommer, Ingolf; Wass, Mark N; Sternberg, Michael J E; Škunca, Nives; Supek, Fran; Bošnjak, Matko; Panov, Panče; Džeroski, Sašo; Šmuc, Tomislav; Kourmpetis, Yiannis A I; van Dijk, Aalt D J; ter Braak, Cajo J F; Zhou, Yuanpeng; Gong, Qingtian; Dong, Xinran; Tian, Weidong; Falda, Marco; Fontana, Paolo; Lavezzo, Enrico; Di Camillo, Barbara; Toppo, Stefano; Lan, Liang; Djuric, Nemanja; Guo, Yuhong; Vucetic, Slobodan; Bairoch, Amos; Linial, Michal; Babbitt, Patricia C; Brenner, Steven E; Orengo, Christine; Rost, Burkhard; Mooney, Sean D; Friedberg, Iddo

2013-01-01

Automated annotation of protein function is challenging. As the number of sequenced genomes rapidly grows, the overwhelming majority of protein products can only be annotated computationally. If computational predictions are to be relied upon, it is crucial that the accuracy of these methods be high. Here we report the results from the first large-scale community-based Critical Assessment of protein Function Annotation (CAFA) experiment. Fifty-four methods representing the state-of-the-art for protein function prediction were evaluated on a target set of 866 proteins from eleven organisms. Two findings stand out: (i) today’s best protein function prediction algorithms significantly outperformed widely-used first-generation methods, with large gains on all types of targets; and (ii) although the top methods perform well enough to guide experiments, there is significant need for improvement of currently available tools. PMID:23353650

An Investigation on Computer-Adaptive Multistage Testing Panels for Multidimensional Assessment

ERIC Educational Resources Information Center

Wang, Xinrui

2013-01-01

The computer-adaptive multistage testing (ca-MST) has been developed as an alternative to computerized adaptive testing (CAT), and been increasingly adopted in large-scale assessments. Current research and practice only focus on ca-MST panels for credentialing purposes. The ca-MST test mode, therefore, is designed to gauge a single scale. The…

Development of Computational Aeroacoustics Code for Jet Noise and Flow Prediction

NASA Astrophysics Data System (ADS)

Keith, Theo G., Jr.; Hixon, Duane R.

2002-07-01

Accurate prediction of jet fan and exhaust plume flow and noise generation and propagation is very important in developing advanced aircraft engines that will pass current and future noise regulations. In jet fan flows as well as exhaust plumes, two major sources of noise are present: large-scale, coherent instabilities and small-scale turbulent eddies. In previous work for the NASA Glenn Research Center, three strategies have been explored in an effort to computationally predict the noise radiation from supersonic jet exhaust plumes. In order from the least expensive computationally to the most expensive computationally, these are: 1) Linearized Euler equations (LEE). 2) Very Large Eddy Simulations (VLES). 3) Large Eddy Simulations (LES). The first method solves the linearized Euler equations (LEE). These equations are obtained by linearizing about a given mean flow and the neglecting viscous effects. In this way, the noise from large-scale instabilities can be found for a given mean flow. The linearized Euler equations are computationally inexpensive, and have produced good noise results for supersonic jets where the large-scale instability noise dominates, as well as for the tone noise from a jet engine blade row. However, these linear equations do not predict the absolute magnitude of the noise; instead, only the relative magnitude is predicted. Also, the predicted disturbances do not modify the mean flow, removing a physical mechanism by which the amplitude of the disturbance may be controlled. Recent research for isolated airfoils' indicates that this may not affect the solution greatly at low frequencies. The second method addresses some of the concerns raised by the LEE method. In this approach, called Very Large Eddy Simulation (VLES), the unsteady Reynolds averaged Navier-Stokes equations are solved directly using a high-accuracy computational aeroacoustics numerical scheme. With the addition of a two-equation turbulence model and the use of a relatively coarse grid, the numerical solution is effectively filtered into a directly calculated mean flow with the small-scale turbulence being modeled, and an unsteady large-scale component that is also being directly calculated. In this way, the unsteady disturbances are calculated in a nonlinear way, with a direct effect on the mean flow. This method is not as fast as the LEE approach, but does have many advantages to recommend it; however, like the LEE approach, only the effect of the largest unsteady structures will be captured. An initial calculation was performed on a supersonic jet exhaust plume, with promising results, but the calculation was hampered by the explicit time marching scheme that was employed. This explicit scheme required a very small time step to resolve the nozzle boundary layer, which caused a long run time. Current work is focused on testing a lower-order implicit time marching method to combat this problem.

Job Management and Task Bundling

NASA Astrophysics Data System (ADS)

Berkowitz, Evan; Jansen, Gustav R.; McElvain, Kenneth; Walker-Loud, André

2018-03-01

High Performance Computing is often performed on scarce and shared computing resources. To ensure computers are used to their full capacity, administrators often incentivize large workloads that are not possible on smaller systems. Measurements in Lattice QCD frequently do not scale to machine-size workloads. By bundling tasks together we can create large jobs suitable for gigantic partitions. We discuss METAQ and mpi_jm, software developed to dynamically group computational tasks together, that can intelligently backfill to consume idle time without substantial changes to users' current workflows or executables.

Some issues related to the novel spectral acceleration method for the fast computation of radiation/scattering from one-dimensional extremely large scale quasi-planar structures

NASA Astrophysics Data System (ADS)

Torrungrueng, Danai; Johnson, Joel T.; Chou, Hsi-Tseng

2002-03-01

The novel spectral acceleration (NSA) algorithm has been shown to produce an $[\\mathcal{O}]$(Ntot) efficient iterative method of moments for the computation of radiation/scattering from both one-dimensional (1-D) and two-dimensional large-scale quasi-planar structures, where Ntot is the total number of unknowns to be solved. This method accelerates the matrix-vector multiplication in an iterative method of moments solution and divides contributions between points into ``strong'' (exact matrix elements) and ``weak'' (NSA algorithm) regions. The NSA method is based on a spectral representation of the electromagnetic Green's function and appropriate contour deformation, resulting in a fast multipole-like formulation in which contributions from large numbers of points to a single point are evaluated simultaneously. In the standard NSA algorithm the NSA parameters are derived on the basis of the assumption that the outermost possible saddle point, φs,max, along the real axis in the complex angular domain is small. For given height variations of quasi-planar structures, this assumption can be satisfied by adjusting the size of the strong region Ls. However, for quasi-planar structures with large height variations, the adjusted size of the strong region is typically large, resulting in significant increases in computational time for the computation of the strong-region contribution and degrading overall efficiency of the NSA algorithm. In addition, for the case of extremely large scale structures, studies based on the physical optics approximation and a flat surface assumption show that the given NSA parameters in the standard NSA algorithm may yield inaccurate results. In this paper, analytical formulas associated with the NSA parameters for an arbitrary value of φs,max are presented, resulting in more flexibility in selecting Ls to compromise between the computation of the contributions of the strong and weak regions. In addition, a ``multilevel'' algorithm, decomposing 1-D extremely large scale quasi-planar structures into more than one weak region and appropriately choosing the NSA parameters for each weak region, is incorporated into the original NSA method to improve its accuracy.

Accelerating Large Scale Image Analyses on Parallel, CPU-GPU Equipped Systems

PubMed Central

Teodoro, George; Kurc, Tahsin M.; Pan, Tony; Cooper, Lee A.D.; Kong, Jun; Widener, Patrick; Saltz, Joel H.

2014-01-01

The past decade has witnessed a major paradigm shift in high performance computing with the introduction of accelerators as general purpose processors. These computing devices make available very high parallel computing power at low cost and power consumption, transforming current high performance platforms into heterogeneous CPU-GPU equipped systems. Although the theoretical performance achieved by these hybrid systems is impressive, taking practical advantage of this computing power remains a very challenging problem. Most applications are still deployed to either GPU or CPU, leaving the other resource under- or un-utilized. In this paper, we propose, implement, and evaluate a performance aware scheduling technique along with optimizations to make efficient collaborative use of CPUs and GPUs on a parallel system. In the context of feature computations in large scale image analysis applications, our evaluations show that intelligently co-scheduling CPUs and GPUs can significantly improve performance over GPU-only or multi-core CPU-only approaches. PMID:25419545

Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K.

PubMed

Mondal, Arobendo; Gaultois, Michael W; Pell, Andrew J; Iannuzzi, Marcella; Grey, Clare P; Hutter, Jürg; Kaupp, Martin

2018-01-09

Large-scale computations of nuclear magnetic resonance (NMR) shifts for extended paramagnetic solids (pNMR) are reported using the highly efficient Gaussian-augmented plane-wave implementation of the CP2K code. Combining hyperfine couplings obtained with hybrid functionals with g-tensors and orbital shieldings computed using gradient-corrected functionals, contact, pseudocontact, and orbital-shift contributions to pNMR shifts are accessible. Due to the efficient and highly parallel performance of CP2K, a wide variety of materials with large unit cells can be studied with extended Gaussian basis sets. Validation of various approaches for the different contributions to pNMR shifts is done first for molecules in a large supercell in comparison with typical quantum-chemical codes. This is then extended to a detailed study of g-tensors for extended solid transition-metal fluorides and for a series of complex lithium vanadium phosphates. Finally, lithium pNMR shifts are computed for Li 3 V 2 (PO 4 ) 3 , for which detailed experimental data are available. This has allowed an in-depth study of different approaches (e.g., full periodic versus incremental cluster computations of g-tensors and different functionals and basis sets for hyperfine computations) as well as a thorough analysis of the different contributions to the pNMR shifts. This study paves the way for a more-widespread computational treatment of NMR shifts for paramagnetic materials.

Scaling of the Urban Water Footprint: An Analysis of 65 Mid- to Large-Sized U.S. Metropolitan Areas

NASA Astrophysics Data System (ADS)

Mahjabin, T.; Garcia, S.; Grady, C.; Mejia, A.

2017-12-01

Scaling laws have been shown to be relevant to a range of disciplines including biology, ecology, hydrology, and physics, among others. Recently, scaling was shown to be important for understanding and characterizing cities. For instance, it was found that urban infrastructure (water supply pipes and electrical wires) tends to scale sublinearly with city population, implying that large cities are more efficient. In this study, we explore the scaling of the water footprint of cities. The water footprint is a measure of water appropriation that considers both the direct and indirect (virtual) water use of a consumer or producer. Here we compute the water footprint of 65 mid- to large-sized U.S. metropolitan areas, accounting for direct and indirect water uses associated with agricultural and industrial commodities, and residential and commercial water uses. We find that the urban water footprint, computed as the sum of the water footprint of consumption and production, exhibits sublinear scaling with an exponent of 0.89. This suggests the possibility of large cities being more water-efficient than small ones. To further assess this result, we conduct additional analysis by accounting for international flows, and the effects of green water and city boundary definition on the scaling. The analysis confirms the scaling and provides additional insight about its interpretation.

The Application of Large-Scale Hypermedia Information Systems to Training.

ERIC Educational Resources Information Center

Crowder, Richard; And Others

1995-01-01

Discusses the use of hypermedia in electronic information systems that support maintenance operations in large-scale industrial plants. Findings show that after establishing an information system, the same resource base can be used to train personnel how to use the computer system and how to perform operational and maintenance tasks. (Author/JMV)

Developing a Strategy for Using Technology-Enhanced Items in Large-Scale Standardized Tests

ERIC Educational Resources Information Center

Bryant, William

2017-01-01

As large-scale standardized tests move from paper-based to computer-based delivery, opportunities arise for test developers to make use of items beyond traditional selected and constructed response types. Technology-enhanced items (TEIs) have the potential to provide advantages over conventional items, including broadening construct measurement,…

Mathematical and Computational Challenges in Population Biology and Ecosystems Science

NASA Technical Reports Server (NTRS)

Levin, Simon A.; Grenfell, Bryan; Hastings, Alan; Perelson, Alan S.

1997-01-01

Mathematical and computational approaches provide powerful tools in the study of problems in population biology and ecosystems science. The subject has a rich history intertwined with the development of statistics and dynamical systems theory, but recent analytical advances, coupled with the enhanced potential of high-speed computation, have opened up new vistas and presented new challenges. Key challenges involve ways to deal with the collective dynamics of heterogeneous ensembles of individuals, and to scale from small spatial regions to large ones. The central issues-understanding how detail at one scale makes its signature felt at other scales, and how to relate phenomena across scales-cut across scientific disciplines and go to the heart of algorithmic development of approaches to high-speed computation. Examples are given from ecology, genetics, epidemiology, and immunology.

The revolution in data gathering systems

NASA Technical Reports Server (NTRS)

Cambra, J. M.; Trover, W. F.

1975-01-01

Data acquisition systems used in NASA's wind tunnels from the 1950's through the present time are summarized as a baseline for assessing the impact of minicomputers and microcomputers on data acquisition and data processing. Emphasis is placed on the cyclic evolution in computer technology which transformed the central computer system, and finally the distributed computer system. Other developments discussed include: medium scale integration, large scale integration, combining the functions of data acquisition and control, and micro and minicomputers.

COMPUTATIONAL METHODOLOGIES for REAL-SPACE STRUCTURAL REFINEMENT of LARGE MACROMOLECULAR COMPLEXES

PubMed Central

Goh, Boon Chong; Hadden, Jodi A.; Bernardi, Rafael C.; Singharoy, Abhishek; McGreevy, Ryan; Rudack, Till; Cassidy, C. Keith; Schulten, Klaus

2017-01-01

The rise of the computer as a powerful tool for model building and refinement has revolutionized the field of structure determination for large biomolecular systems. Despite the wide availability of robust experimental methods capable of resolving structural details across a range of spatiotemporal resolutions, computational hybrid methods have the unique ability to integrate the diverse data from multimodal techniques such as X-ray crystallography and electron microscopy into consistent, fully atomistic structures. Here, commonly employed strategies for computational real-space structural refinement are reviewed, and their specific applications are illustrated for several large macromolecular complexes: ribosome, virus capsids, chemosensory array, and photosynthetic chromatophore. The increasingly important role of computational methods in large-scale structural refinement, along with current and future challenges, is discussed. PMID:27145875

A Practical Computational Method for the Anisotropic Redshift-Space 3-Point Correlation Function

NASA Astrophysics Data System (ADS)

Slepian, Zachary; Eisenstein, Daniel J.

2018-04-01

We present an algorithm enabling computation of the anisotropic redshift-space galaxy 3-point correlation function (3PCF) scaling as N2, with N the number of galaxies. Our previous work showed how to compute the isotropic 3PCF with this scaling by expanding the radially-binned density field around each galaxy in the survey into spherical harmonics and combining these coefficients to form multipole moments. The N2 scaling occurred because this approach never explicitly required the relative angle between a galaxy pair about the primary galaxy. Here we generalize this work, demonstrating that in the presence of azimuthally-symmetric anisotropy produced by redshift-space distortions (RSD) the 3PCF can be described by two triangle side lengths, two independent total angular momenta, and a spin. This basis for the anisotropic 3PCF allows its computation with negligible additional work over the isotropic 3PCF. We also present the covariance matrix of the anisotropic 3PCF measured in this basis. Our algorithm tracks the full 5-D redshift-space 3PCF, uses an accurate line of sight to each triplet, is exact in angle, and easily handles edge correction. It will enable use of the anisotropic large-scale 3PCF as a probe of RSD in current and upcoming large-scale redshift surveys.

Large Spatial Scale Ground Displacement Mapping through the P-SBAS Processing of Sentinel-1 Data on a Cloud Computing Environment

NASA Astrophysics Data System (ADS)

Casu, F.; Bonano, M.; de Luca, C.; Lanari, R.; Manunta, M.; Manzo, M.; Zinno, I.

2017-12-01

Since its launch in 2014, the Sentinel-1 (S1) constellation has played a key role on SAR data availability and dissemination all over the World. Indeed, the free and open access data policy adopted by the European Copernicus program together with the global coverage acquisition strategy, make the Sentinel constellation as a game changer in the Earth Observation scenario. Being the SAR data become ubiquitous, the technological and scientific challenge is focused on maximizing the exploitation of such huge data flow. In this direction, the use of innovative processing algorithms and distributed computing infrastructures, such as the Cloud Computing platforms, can play a crucial role. In this work we present a Cloud Computing solution for the advanced interferometric (DInSAR) processing chain based on the Parallel SBAS (P-SBAS) approach, aimed at processing S1 Interferometric Wide Swath (IWS) data for the generation of large spatial scale deformation time series in efficient, automatic and systematic way. Such a DInSAR chain ingests Sentinel 1 SLC images and carries out several processing steps, to finally compute deformation time series and mean deformation velocity maps. Different parallel strategies have been designed ad hoc for each processing step of the P-SBAS S1 chain, encompassing both multi-core and multi-node programming techniques, in order to maximize the computational efficiency achieved within a Cloud Computing environment and cut down the relevant processing times. The presented P-SBAS S1 processing chain has been implemented on the Amazon Web Services platform and a thorough analysis of the attained parallel performances has been performed to identify and overcome the major bottlenecks to the scalability. The presented approach is used to perform national-scale DInSAR analyses over Italy, involving the processing of more than 3000 S1 IWS images acquired from both ascending and descending orbits. Such an experiment confirms the big advantage of exploiting large computational and storage resources of Cloud Computing platforms for large scale DInSAR analysis. The presented Cloud Computing P-SBAS processing chain can be a precious tool in the perspective of developing operational services disposable for the EO scientific community related to hazard monitoring and risk prevention and mitigation.

Large scale simulation of liquid water transport in a gas diffusion layer of polymer electrolyte membrane fuel cells using the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Sakaida, Satoshi; Tabe, Yutaka; Chikahisa, Takemi

2017-09-01

A method for the large-scale simulation with the lattice Boltzmann method (LBM) is proposed for liquid water movement in a gas diffusion layer (GDL) of polymer electrolyte membrane fuel cells. The LBM is able to analyze two-phase flows in complex structures, however the simulation domain is limited due to heavy computational loads. This study investigates a variety means to reduce computational loads and increase the simulation areas. One is applying an LBM treating two-phases as having the same density, together with keeping numerical stability with large time steps. The applicability of this approach is confirmed by comparing the results with rigorous simulations using actual density. The second is establishing the maximum limit of the Capillary number that maintains flow patterns similar to the precise simulation; this is attempted as the computational load is inversely proportional to the Capillary number. The results show that the Capillary number can be increased to 3.0 × 10-3, where the actual operation corresponds to Ca = 10-5∼10-8. The limit is also investigated experimentally using an enlarged scale model satisfying similarity conditions for the flow. Finally, a demonstration is made of the effects of pore uniformity in GDL as an example of a large-scale simulation covering a channel.

A Metascalable Computing Framework for Large Spatiotemporal-Scale Atomistic Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nomura, K; Seymour, R; Wang, W

2009-02-17

A metascalable (or 'design once, scale on new architectures') parallel computing framework has been developed for large spatiotemporal-scale atomistic simulations of materials based on spatiotemporal data locality principles, which is expected to scale on emerging multipetaflops architectures. The framework consists of: (1) an embedded divide-and-conquer (EDC) algorithmic framework based on spatial locality to design linear-scaling algorithms for high complexity problems; (2) a space-time-ensemble parallel (STEP) approach based on temporal locality to predict long-time dynamics, while introducing multiple parallelization axes; and (3) a tunable hierarchical cellular decomposition (HCD) parallelization framework to map these O(N) algorithms onto a multicore cluster based onmore » hybrid implementation combining message passing and critical section-free multithreading. The EDC-STEP-HCD framework exposes maximal concurrency and data locality, thereby achieving: (1) inter-node parallel efficiency well over 0.95 for 218 billion-atom molecular-dynamics and 1.68 trillion electronic-degrees-of-freedom quantum-mechanical simulations on 212,992 IBM BlueGene/L processors (superscalability); (2) high intra-node, multithreading parallel efficiency (nanoscalability); and (3) nearly perfect time/ensemble parallel efficiency (eon-scalability). The spatiotemporal scale covered by MD simulation on a sustained petaflops computer per day (i.e. petaflops {center_dot} day of computing) is estimated as NT = 2.14 (e.g. N = 2.14 million atoms for T = 1 microseconds).« less

Opportunities for Breakthroughs in Large-Scale Computational Simulation and Design

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia; Alter, Stephen J.; Atkins, Harold L.; Bey, Kim S.; Bibb, Karen L.; Biedron, Robert T.; Carpenter, Mark H.; Cheatwood, F. McNeil; Drummond, Philip J.; Gnoffo, Peter A.

2002-01-01

Opportunities for breakthroughs in the large-scale computational simulation and design of aerospace vehicles are presented. Computational fluid dynamics tools to be used within multidisciplinary analysis and design methods are emphasized. The opportunities stem from speedups and robustness improvements in the underlying unit operations associated with simulation (geometry modeling, grid generation, physical modeling, analysis, etc.). Further, an improved programming environment can synergistically integrate these unit operations to leverage the gains. The speedups result from reducing the problem setup time through geometry modeling and grid generation operations, and reducing the solution time through the operation counts associated with solving the discretized equations to a sufficient accuracy. The opportunities are addressed only at a general level here, but an extensive list of references containing further details is included. The opportunities discussed are being addressed through the Fast Adaptive Aerospace Tools (FAAST) element of the Advanced Systems Concept to Test (ASCoT) and the third Generation Reusable Launch Vehicles (RLV) projects at NASA Langley Research Center. The overall goal is to enable greater inroads into the design process with large-scale simulations.

Computational psychiatry

PubMed Central

Montague, P. Read; Dolan, Raymond J.; Friston, Karl J.; Dayan, Peter

2013-01-01

Computational ideas pervade many areas of science and have an integrative explanatory role in neuroscience and cognitive science. However, computational depictions of cognitive function have had surprisingly little impact on the way we assess mental illness because diseases of the mind have not been systematically conceptualized in computational terms. Here, we outline goals and nascent efforts in the new field of computational psychiatry, which seeks to characterize mental dysfunction in terms of aberrant computations over multiple scales. We highlight early efforts in this area that employ reinforcement learning and game theoretic frameworks to elucidate decision-making in health and disease. Looking forwards, we emphasize a need for theory development and large-scale computational phenotyping in human subjects. PMID:22177032

Spectral fingerprints of large-scale neuronal interactions.

PubMed

Siegel, Markus; Donner, Tobias H; Engel, Andreas K

2012-01-11

Cognition results from interactions among functionally specialized but widely distributed brain regions; however, neuroscience has so far largely focused on characterizing the function of individual brain regions and neurons therein. Here we discuss recent studies that have instead investigated the interactions between brain regions during cognitive processes by assessing correlations between neuronal oscillations in different regions of the primate cerebral cortex. These studies have opened a new window onto the large-scale circuit mechanisms underlying sensorimotor decision-making and top-down attention. We propose that frequency-specific neuronal correlations in large-scale cortical networks may be 'fingerprints' of canonical neuronal computations underlying cognitive processes.

Simulation Framework for Intelligent Transportation Systems

DOT National Transportation Integrated Search

1996-10-01

A simulation framework has been developed for a large-scale, comprehensive, scaleable simulation of an Intelligent Transportation System. The simulator is designed for running on parellel computers and distributed (networked) computer systems, but ca...

A 100,000 Scale Factor Radar Range.

PubMed

Blanche, Pierre-Alexandre; Neifeld, Mark; Peyghambarian, Nasser

2017-12-19

The radar cross section of an object is an important electromagnetic property that is often measured in anechoic chambers. However, for very large and complex structures such as ships or sea and land clutters, this common approach is not practical. The use of computer simulations is also not viable since it would take many years of computational time to model and predict the radar characteristics of such large objects. We have now devised a new scaling technique to overcome these difficulties, and make accurate measurements of the radar cross section of large items. In this article we demonstrate that by reducing the scale of the model by a factor 100,000, and using near infrared wavelength, the radar cross section can be determined in a tabletop setup. The accuracy of the method is compared to simulations, and an example of measurement is provided on a 1 mm highly detailed model of a ship. The advantages of this scaling approach is its versatility, and the possibility to perform fast, convenient, and inexpensive measurements.

Large-scale functional models of visual cortex for remote sensing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brumby, Steven P; Kenyon, Garrett; Rasmussen, Craig E

Neuroscience has revealed many properties of neurons and of the functional organization of visual cortex that are believed to be essential to human vision, but are missing in standard artificial neural networks. Equally important may be the sheer scale of visual cortex requiring {approx}1 petaflop of computation. In a year, the retina delivers {approx}1 petapixel to the brain, leading to massively large opportunities for learning at many levels of the cortical system. We describe work at Los Alamos National Laboratory (LANL) to develop large-scale functional models of visual cortex on LANL's Roadrunner petaflop supercomputer. An initial run of a simplemore » region VI code achieved 1.144 petaflops during trials at the IBM facility in Poughkeepsie, NY (June 2008). Here, we present criteria for assessing when a set of learned local representations is 'complete' along with general criteria for assessing computer vision models based on their projected scaling behavior. Finally, we extend one class of biologically-inspired learning models to problems of remote sensing imagery.« less

Northwest Trajectory Analysis Capability: A Platform for Enhancing Computational Biophysics Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peterson, Elena S.; Stephan, Eric G.; Corrigan, Abigail L.

2008-07-30

As computational resources continue to increase, the ability of computational simulations to effectively complement, and in some cases replace, experimentation in scientific exploration also increases. Today, large-scale simulations are recognized as an effective tool for scientific exploration in many disciplines including chemistry and biology. A natural side effect of this trend has been the need for an increasingly complex analytical environment. In this paper, we describe Northwest Trajectory Analysis Capability (NTRAC), an analytical software suite developed to enhance the efficiency of computational biophysics analyses. Our strategy is to layer higher-level services and introduce improved tools within the user’s familiar environmentmore » without preventing researchers from using traditional tools and methods. Our desire is to share these experiences to serve as an example for effectively analyzing data intensive large scale simulation data.« less

Large scale cardiac modeling on the Blue Gene supercomputer.

PubMed

Reumann, Matthias; Fitch, Blake G; Rayshubskiy, Aleksandr; Keller, David U; Weiss, Daniel L; Seemann, Gunnar; Dössel, Olaf; Pitman, Michael C; Rice, John J

2008-01-01

Multi-scale, multi-physical heart models have not yet been able to include a high degree of accuracy and resolution with respect to model detail and spatial resolution due to computational limitations of current systems. We propose a framework to compute large scale cardiac models. Decomposition of anatomical data in segments to be distributed on a parallel computer is carried out by optimal recursive bisection (ORB). The algorithm takes into account a computational load parameter which has to be adjusted according to the cell models used. The diffusion term is realized by the monodomain equations. The anatomical data-set was given by both ventricles of the Visible Female data-set in a 0.2 mm resolution. Heterogeneous anisotropy was included in the computation. Model weights as input for the decomposition and load balancing were set to (a) 1 for tissue and 0 for non-tissue elements; (b) 10 for tissue and 1 for non-tissue elements. Scaling results for 512, 1024, 2048, 4096 and 8192 computational nodes were obtained for 10 ms simulation time. The simulations were carried out on an IBM Blue Gene/L parallel computer. A 1 s simulation was then carried out on 2048 nodes for the optimal model load. Load balances did not differ significantly across computational nodes even if the number of data elements distributed to each node differed greatly. Since the ORB algorithm did not take into account computational load due to communication cycles, the speedup is close to optimal for the computation time but not optimal overall due to the communication overhead. However, the simulation times were reduced form 87 minutes on 512 to 11 minutes on 8192 nodes. This work demonstrates that it is possible to run simulations of the presented detailed cardiac model within hours for the simulation of a heart beat.

Large scale particle image velocimetry with helium filled soap bubbles

NASA Astrophysics Data System (ADS)

Bosbach, Johannes; Kühn, Matthias; Wagner, Claus

2009-03-01

The application of Particle Image Velocimetry (PIV) to measurement of flows on large scales is a challenging necessity especially for the investigation of convective air flows. Combining helium filled soap bubbles as tracer particles with high power quality switched solid state lasers as light sources allows conducting PIV on scales of the order of several square meters. The technique was applied to mixed convection in a full scale double aisle aircraft cabin mock-up for validation of Computational Fluid Dynamics simulations.

Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei

DOE PAGES

Dytrych, T.; Maris, P.; Launey, K. D.; ...

2016-06-22

We report on the computational characteristics of ab initio nuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computational complexity of the current implementation of the SA-NCSM approach, dubbed LSU3shell, by analyzing ab initio results for 6Li and 12C in large harmonic oscillator model spaces and SU3-selected subspaces. We demonstrate LSU3shell’s strong-scaling properties achieved with highly-parallel methods for computing the many-body matrix elements. Results compare favorably with complete model space calculations and significant memory savings are achieved in physically important applications. In particular, a well-chosen symmetry-adapted basis affords memory savings in calculations of states withmore » a fixed total angular momentum in large model spaces while exactly preserving translational invariance.« less

Design Aspects of the Rayleigh Convection Code

NASA Astrophysics Data System (ADS)

Featherstone, N. A.

2017-12-01

Understanding the long-term generation of planetary or stellar magnetic field requires complementary knowledge of the large-scale fluid dynamics pervading large fractions of the object's interior. Such large-scale motions are sensitive to the system's geometry which, in planets and stars, is spherical to a good approximation. As a result, computational models designed to study such systems often solve the MHD equations in spherical geometry, frequently employing a spectral approach involving spherical harmonics. We present computational and user-interface design aspects of one such modeling tool, the Rayleigh convection code, which is suitable for deployment on desktop and petascale-hpc architectures alike. In this poster, we will present an overview of this code's parallel design and its built-in diagnostics-output package. Rayleigh has been developed with NSF support through the Computational Infrastructure for Geodynamics and is expected to be released as open-source software in winter 2017/2018.

An Optimization Code for Nonlinear Transient Problems of a Large Scale Multidisciplinary Mathematical Model

NASA Astrophysics Data System (ADS)

Takasaki, Koichi

This paper presents a program for the multidisciplinary optimization and identification problem of the nonlinear model of large aerospace vehicle structures. The program constructs the global matrix of the dynamic system in the time direction by the p-version finite element method (pFEM), and the basic matrix for each pFEM node in the time direction is described by a sparse matrix similarly to the static finite element problem. The algorithm used by the program does not require the Hessian matrix of the objective function and so has low memory requirements. It also has a relatively low computational cost, and is suited to parallel computation. The program was integrated as a solver module of the multidisciplinary analysis system CUMuLOUS (Computational Utility for Multidisciplinary Large scale Optimization of Undense System) which is under development by the Aerospace Research and Development Directorate (ARD) of the Japan Aerospace Exploration Agency (JAXA).

Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles.

PubMed

Lampa, Samuel; Alvarsson, Jonathan; Spjuth, Ola

2016-01-01

Predictive modelling in drug discovery is challenging to automate as it often contains multiple analysis steps and might involve cross-validation and parameter tuning that create complex dependencies between tasks. With large-scale data or when using computationally demanding modelling methods, e-infrastructures such as high-performance or cloud computing are required, adding to the existing challenges of fault-tolerant automation. Workflow management systems can aid in many of these challenges, but the currently available systems are lacking in the functionality needed to enable agile and flexible predictive modelling. We here present an approach inspired by elements of the flow-based programming paradigm, implemented as an extension of the Luigi system which we name SciLuigi. We also discuss the experiences from using the approach when modelling a large set of biochemical interactions using a shared computer cluster.Graphical abstract.

Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dytrych, T.; Maris, Pieter; Launey, K. D.

2016-06-09

We report on the computational characteristics of ab initio nuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computational complexity of the current implementation of the SA-NCSM approach, dubbed LSU3shell, by analyzing ab initio results for 6Li and 12C in large harmonic oscillator model spaces and SU(3)-selected subspaces. We demonstrate LSU3shell's strong-scaling properties achieved with highly-parallel methods for computing the many-body matrix elements. Results compare favorably with complete model space calculations and signi cant memory savings are achieved in physically important applications. In particular, a well-chosen symmetry-adapted basis a ords memory savings in calculations ofmore » states with a fixed total angular momentum in large model spaces while exactly preserving translational invariance.« less

Extreme-Scale De Novo Genome Assembly

DOE Office of Scientific and Technical Information (OSTI.GOV)

Georganas, Evangelos; Hofmeyr, Steven; Egan, Rob

De novo whole genome assembly reconstructs genomic sequence from short, overlapping, and potentially erroneous DNA segments and is one of the most important computations in modern genomics. This work presents HipMER, a high-quality end-to-end de novo assembler designed for extreme scale analysis, via efficient parallelization of the Meraculous code. Genome assembly software has many components, each of which stresses different components of a computer system. This chapter explains the computational challenges involved in each step of the HipMer pipeline, the key distributed data structures, and communication costs in detail. We present performance results of assembling the human genome and themore » large hexaploid wheat genome on large supercomputers up to tens of thousands of cores.« less

Computational solutions to large-scale data management and analysis

PubMed Central

Schadt, Eric E.; Linderman, Michael D.; Sorenson, Jon; Lee, Lawrence; Nolan, Garry P.

2011-01-01

Today we can generate hundreds of gigabases of DNA and RNA sequencing data in a week for less than US$5,000. The astonishing rate of data generation by these low-cost, high-throughput technologies in genomics is being matched by that of other technologies, such as real-time imaging and mass spectrometry-based flow cytometry. Success in the life sciences will depend on our ability to properly interpret the large-scale, high-dimensional data sets that are generated by these technologies, which in turn requires us to adopt advances in informatics. Here we discuss how we can master the different types of computational environments that exist — such as cloud and heterogeneous computing — to successfully tackle our big data problems. PMID:20717155

Efficient tiled calculation of over-10-gigapixel holograms using ray-wavefront conversion.

PubMed

Igarashi, Shunsuke; Nakamura, Tomoya; Matsushima, Kyoji; Yamaguchi, Masahiro

2018-04-16

In the calculation of large-scale computer-generated holograms, an approach called "tiling," which divides the hologram plane into small rectangles, is often employed due to limitations on computational memory. However, the total amount of computational complexity severely increases with the number of divisions. In this paper, we propose an efficient method for calculating tiled large-scale holograms using ray-wavefront conversion. In experiments, the effectiveness of the proposed method was verified by comparing its calculation cost with that using the previous method. Additionally, a hologram of 128K × 128K pixels was calculated and fabricated by a laser-lithography system, and a high-quality 105 mm × 105 mm 3D image including complicated reflection and translucency was optically reconstructed.

Large-Scale Sentinel-1 Processing for Solid Earth Science and Urgent Response using Cloud Computing and Machine Learning

NASA Astrophysics Data System (ADS)

Hua, H.; Owen, S. E.; Yun, S. H.; Agram, P. S.; Manipon, G.; Starch, M.; Sacco, G. F.; Bue, B. D.; Dang, L. B.; Linick, J. P.; Malarout, N.; Rosen, P. A.; Fielding, E. J.; Lundgren, P.; Moore, A. W.; Liu, Z.; Farr, T.; Webb, F.; Simons, M.; Gurrola, E. M.

2017-12-01

With the increased availability of open SAR data (e.g. Sentinel-1 A/B), new challenges are being faced with processing and analyzing the voluminous SAR datasets to make geodetic measurements. Upcoming SAR missions such as NISAR are expected to generate close to 100TB per day. The Advanced Rapid Imaging and Analysis (ARIA) project can now generate geocoded unwrapped phase and coherence products from Sentinel-1 TOPS mode data in an automated fashion, using the ISCE software. This capability is currently being exercised on various study sites across the United States and around the globe, including Hawaii, Central California, Iceland and South America. The automated and large-scale SAR data processing and analysis capabilities use cloud computing techniques to speed the computations and provide scalable processing power and storage. Aspects such as how to processing these voluminous SLCs and interferograms at global scales, keeping up with the large daily SAR data volumes, and how to handle the voluminous data rates are being explored. Scene-partitioning approaches in the processing pipeline help in handling global-scale processing up to unwrapped interferograms with stitching done at a late stage. We have built an advanced science data system with rapid search functions to enable access to the derived data products. Rapid image processing of Sentinel-1 data to interferograms and time series is already being applied to natural hazards including earthquakes, floods, volcanic eruptions, and land subsidence due to fluid withdrawal. We will present the status of the ARIA science data system for generating science-ready data products and challenges that arise from being able to process SAR datasets to derived time series data products at large scales. For example, how do we perform large-scale data quality screening on interferograms? What approaches can be used to minimize compute, storage, and data movement costs for time series analysis in the cloud? We will also present some of our findings from applying machine learning and data analytics on the processed SAR data streams. We will also present lessons learned on how to ease the SAR community onto interfacing with these cloud-based SAR science data systems.

Extraction of drainage networks from large terrain datasets using high throughput computing

NASA Astrophysics Data System (ADS)

Gong, Jianya; Xie, Jibo

2009-02-01

Advanced digital photogrammetry and remote sensing technology produces large terrain datasets (LTD). How to process and use these LTD has become a big challenge for GIS users. Extracting drainage networks, which are basic for hydrological applications, from LTD is one of the typical applications of digital terrain analysis (DTA) in geographical information applications. Existing serial drainage algorithms cannot deal with large data volumes in a timely fashion, and few GIS platforms can process LTD beyond the GB size. High throughput computing (HTC), a distributed parallel computing mode, is proposed to improve the efficiency of drainage networks extraction from LTD. Drainage network extraction using HTC involves two key issues: (1) how to decompose the large DEM datasets into independent computing units and (2) how to merge the separate outputs into a final result. A new decomposition method is presented in which the large datasets are partitioned into independent computing units using natural watershed boundaries instead of using regular 1-dimensional (strip-wise) and 2-dimensional (block-wise) decomposition. Because the distribution of drainage networks is strongly related to watershed boundaries, the new decomposition method is more effective and natural. The method to extract natural watershed boundaries was improved by using multi-scale DEMs instead of single-scale DEMs. A HTC environment is employed to test the proposed methods with real datasets.

Multigrid preconditioned conjugate-gradient method for large-scale wave-front reconstruction.

PubMed

Gilles, Luc; Vogel, Curtis R; Ellerbroek, Brent L

2002-09-01

We introduce a multigrid preconditioned conjugate-gradient (MGCG) iterative scheme for computing open-loop wave-front reconstructors for extreme adaptive optics systems. We present numerical simulations for a 17-m class telescope with n = 48756 sensor measurement grid points within the aperture, which indicate that our MGCG method has a rapid convergence rate for a wide range of subaperture average slope measurement signal-to-noise ratios. The total computational cost is of order n log n. Hence our scheme provides for fast wave-front simulation and control in large-scale adaptive optics systems.

Full-color large-scaled computer-generated holograms using RGB color filters.

PubMed

Tsuchiyama, Yasuhiro; Matsushima, Kyoji

2017-02-06

A technique using RGB color filters is proposed for creating high-quality full-color computer-generated holograms (CGHs). The fringe of these CGHs is composed of more than a billion pixels. The CGHs reconstruct full-parallax three-dimensional color images with a deep sensation of depth caused by natural motion parallax. The simulation technique as well as the principle and challenges of high-quality full-color reconstruction are presented to address the design of filter properties suitable for large-scaled CGHs. Optical reconstructions of actual fabricated full-color CGHs are demonstrated in order to verify the proposed techniques.

Sub-Selective Quantization for Learning Binary Codes in Large-Scale Image Search.

PubMed

Li, Yeqing; Liu, Wei; Huang, Junzhou

2018-06-01

Recently with the explosive growth of visual content on the Internet, large-scale image search has attracted intensive attention. It has been shown that mapping high-dimensional image descriptors to compact binary codes can lead to considerable efficiency gains in both storage and performing similarity computation of images. However, most existing methods still suffer from expensive training devoted to large-scale binary code learning. To address this issue, we propose a sub-selection based matrix manipulation algorithm, which can significantly reduce the computational cost of code learning. As case studies, we apply the sub-selection algorithm to several popular quantization techniques including cases using linear and nonlinear mappings. Crucially, we can justify the resulting sub-selective quantization by proving its theoretic properties. Extensive experiments are carried out on three image benchmarks with up to one million samples, corroborating the efficacy of the sub-selective quantization method in terms of image retrieval.

Large-scale educational telecommunications systems for the US: An analysis of educational needs and technological opportunities

NASA Technical Reports Server (NTRS)

Morgan, R. P.; Singh, J. P.; Rothenberg, D.; Robinson, B. E.

1975-01-01

The needs to be served, the subsectors in which the system might be used, the technology employed, and the prospects for future utilization of an educational telecommunications delivery system are described and analyzed. Educational subsectors are analyzed with emphasis on the current status and trends within each subsector. Issues which affect future development, and prospects for future use of media, technology, and large-scale electronic delivery within each subsector are included. Information on technology utilization is presented. Educational telecommunications services are identified and grouped into categories: public television and radio, instructional television, computer aided instruction, computer resource sharing, and information resource sharing. Technology based services, their current utilization, and factors which affect future development are stressed. The role of communications satellites in providing these services is discussed. Efforts to analyze and estimate future utilization of large-scale educational telecommunications are summarized. Factors which affect future utilization are identified. Conclusions are presented.

Optimal estimation and scheduling in aquifer management using the rapid feedback control method

NASA Astrophysics Data System (ADS)

Ghorbanidehno, Hojat; Kokkinaki, Amalia; Kitanidis, Peter K.; Darve, Eric

2017-12-01

Management of water resources systems often involves a large number of parameters, as in the case of large, spatially heterogeneous aquifers, and a large number of "noisy" observations, as in the case of pressure observation in wells. Optimizing the operation of such systems requires both searching among many possible solutions and utilizing new information as it becomes available. However, the computational cost of this task increases rapidly with the size of the problem to the extent that textbook optimization methods are practically impossible to apply. In this paper, we present a new computationally efficient technique as a practical alternative for optimally operating large-scale dynamical systems. The proposed method, which we term Rapid Feedback Controller (RFC), provides a practical approach for combined monitoring, parameter estimation, uncertainty quantification, and optimal control for linear and nonlinear systems with a quadratic cost function. For illustration, we consider the case of a weakly nonlinear uncertain dynamical system with a quadratic objective function, specifically a two-dimensional heterogeneous aquifer management problem. To validate our method, we compare our results with the linear quadratic Gaussian (LQG) method, which is the basic approach for feedback control. We show that the computational cost of the RFC scales only linearly with the number of unknowns, a great improvement compared to the basic LQG control with a computational cost that scales quadratically. We demonstrate that the RFC method can obtain the optimal control values at a greatly reduced computational cost compared to the conventional LQG algorithm with small and controllable losses in the accuracy of the state and parameter estimation.

Large scale anomalies in the microwave background: causation and correlation.

PubMed

Aslanyan, Grigor; Easther, Richard

2013-12-27

Most treatments of large scale anomalies in the microwave sky are a posteriori, with unquantified look-elsewhere effects. We contrast these with physical models of specific inhomogeneities in the early Universe which can generate these apparent anomalies. Physical models predict correlations between candidate anomalies and the corresponding signals in polarization and large scale structure, reducing the impact of cosmic variance. We compute the apparent spatial curvature associated with large-scale inhomogeneities and show that it is typically small, allowing for a self-consistent analysis. As an illustrative example we show that a single large plane wave inhomogeneity can contribute to low-l mode alignment and odd-even asymmetry in the power spectra and the best-fit model accounts for a significant part of the claimed odd-even asymmetry. We argue that this approach can be generalized to provide a more quantitative assessment of potential large scale anomalies in the Universe.

Interactive graphical computer-aided design system

NASA Technical Reports Server (NTRS)

Edge, T. M.

1975-01-01

System is used for design, layout, and modification of large-scale-integrated (LSI) metal-oxide semiconductor (MOS) arrays. System is structured around small computer which provides real-time support for graphics storage display unit with keyboard, slave display unit, hard copy unit, and graphics tablet for designer/computer interface.

High-End Computing for Incompressible Flows

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kiris, Cetin

2001-01-01

The objective of the First MIT Conference on Computational Fluid and Solid Mechanics (June 12-14, 2001) is to bring together industry and academia (and government) to nurture the next generation in computational mechanics. The objective of the current talk, 'High-End Computing for Incompressible Flows', is to discuss some of the current issues in large scale computing for mission-oriented tasks.

Towards large scale multi-target tracking

NASA Astrophysics Data System (ADS)

Vo, Ba-Ngu; Vo, Ba-Tuong; Reuter, Stephan; Lam, Quang; Dietmayer, Klaus

2014-06-01

Multi-target tracking is intrinsically an NP-hard problem and the complexity of multi-target tracking solutions usually do not scale gracefully with problem size. Multi-target tracking for on-line applications involving a large number of targets is extremely challenging. This article demonstrates the capability of the random finite set approach to provide large scale multi-target tracking algorithms. In particular it is shown that an approximate filter known as the labeled multi-Bernoulli filter can simultaneously track one thousand five hundred targets in clutter on a standard laptop computer.

Hybrid Computerized Adaptive Testing: From Group Sequential Design to Fully Sequential Design

ERIC Educational Resources Information Center

Wang, Shiyu; Lin, Haiyan; Chang, Hua-Hua; Douglas, Jeff

2016-01-01

Computerized adaptive testing (CAT) and multistage testing (MST) have become two of the most popular modes in large-scale computer-based sequential testing. Though most designs of CAT and MST exhibit strength and weakness in recent large-scale implementations, there is no simple answer to the question of which design is better because different…

Standard Errors for National Trends in International Large-Scale Assessments in the Case of Cross-National Differential Item Functioning

ERIC Educational Resources Information Center

Sachse, Karoline A.; Haag, Nicole

2017-01-01

Standard errors computed according to the operational practices of international large-scale assessment studies such as the Programme for International Student Assessment's (PISA) or the Trends in International Mathematics and Science Study (TIMSS) may be biased when cross-national differential item functioning (DIF) and item parameter drift are…

Scaling predictive modeling in drug development with cloud computing.

PubMed

Moghadam, Behrooz Torabi; Alvarsson, Jonathan; Holm, Marcus; Eklund, Martin; Carlsson, Lars; Spjuth, Ola

2015-01-26

Growing data sets with increased time for analysis is hampering predictive modeling in drug discovery. Model building can be carried out on high-performance computer clusters, but these can be expensive to purchase and maintain. We have evaluated ligand-based modeling on cloud computing resources where computations are parallelized and run on the Amazon Elastic Cloud. We trained models on open data sets of varying sizes for the end points logP and Ames mutagenicity and compare with model building parallelized on a traditional high-performance computing cluster. We show that while high-performance computing results in faster model building, the use of cloud computing resources is feasible for large data sets and scales well within cloud instances. An additional advantage of cloud computing is that the costs of predictive models can be easily quantified, and a choice can be made between speed and economy. The easy access to computational resources with no up-front investments makes cloud computing an attractive alternative for scientists, especially for those without access to a supercomputer, and our study shows that it enables cost-efficient modeling of large data sets on demand within reasonable time.

Computing at the speed limit (supercomputers)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernhard, R.

1982-07-01

The author discusses how unheralded efforts in the United States, mainly in universities, have removed major stumbling blocks to building cost-effective superfast computers for scientific and engineering applications within five years. These computers would have sustained speeds of billions of floating-point operations per second (flops), whereas with the fastest machines today the top sustained speed is only 25 million flops, with bursts to 160 megaflops. Cost-effective superfast machines can be built because of advances in very large-scale integration and the special software needed to program the new machines. VLSI greatly reduces the cost per unit of computing power. The developmentmore » of such computers would come at an opportune time. Although the US leads the world in large-scale computer technology, its supremacy is now threatened, not surprisingly, by the Japanese. Publicized reports indicate that the Japanese government is funding a cooperative effort by commercial computer manufacturers to develop superfast computers-about 1000 times faster than modern supercomputers. The US computer industry, by contrast, has balked at attempting to boost computer power so sharply because of the uncertain market for the machines and the failure of similar projects in the past to show significant results.« less

Performance of distributed multiscale simulations

PubMed Central

Borgdorff, J.; Ben Belgacem, M.; Bona-Casas, C.; Fazendeiro, L.; Groen, D.; Hoenen, O.; Mizeranschi, A.; Suter, J. L.; Coster, D.; Coveney, P. V.; Dubitzky, W.; Hoekstra, A. G.; Strand, P.; Chopard, B.

2014-01-01

Multiscale simulations model phenomena across natural scales using monolithic or component-based code, running on local or distributed resources. In this work, we investigate the performance of distributed multiscale computing of component-based models, guided by six multiscale applications with different characteristics and from several disciplines. Three modes of distributed multiscale computing are identified: supplementing local dependencies with large-scale resources, load distribution over multiple resources, and load balancing of small- and large-scale resources. We find that the first mode has the apparent benefit of increasing simulation speed, and the second mode can increase simulation speed if local resources are limited. Depending on resource reservation and model coupling topology, the third mode may result in a reduction of resource consumption. PMID:24982258

A novel combined SLAM based on RBPF-SLAM and EIF-SLAM for mobile system sensing in a large scale environment.

PubMed

He, Bo; Zhang, Shujing; Yan, Tianhong; Zhang, Tao; Liang, Yan; Zhang, Hongjin

2011-01-01

Mobile autonomous systems are very important for marine scientific investigation and military applications. Many algorithms have been studied to deal with the computational efficiency problem required for large scale simultaneous localization and mapping (SLAM) and its related accuracy and consistency. Among these methods, submap-based SLAM is a more effective one. By combining the strength of two popular mapping algorithms, the Rao-Blackwellised particle filter (RBPF) and extended information filter (EIF), this paper presents a combined SLAM-an efficient submap-based solution to the SLAM problem in a large scale environment. RBPF-SLAM is used to produce local maps, which are periodically fused into an EIF-SLAM algorithm. RBPF-SLAM can avoid linearization of the robot model during operating and provide a robust data association, while EIF-SLAM can improve the whole computational speed, and avoid the tendency of RBPF-SLAM to be over-confident. In order to further improve the computational speed in a real time environment, a binary-tree-based decision-making strategy is introduced. Simulation experiments show that the proposed combined SLAM algorithm significantly outperforms currently existing algorithms in terms of accuracy and consistency, as well as the computing efficiency. Finally, the combined SLAM algorithm is experimentally validated in a real environment by using the Victoria Park dataset.

Visual Analysis of Cloud Computing Performance Using Behavioral Lines.

PubMed

Muelder, Chris; Zhu, Biao; Chen, Wei; Zhang, Hongxin; Ma, Kwan-Liu

2016-02-29

Cloud computing is an essential technology to Big Data analytics and services. A cloud computing system is often comprised of a large number of parallel computing and storage devices. Monitoring the usage and performance of such a system is important for efficient operations, maintenance, and security. Tracing every application on a large cloud system is untenable due to scale and privacy issues. But profile data can be collected relatively efficiently by regularly sampling the state of the system, including properties such as CPU load, memory usage, network usage, and others, creating a set of multivariate time series for each system. Adequate tools for studying such large-scale, multidimensional data are lacking. In this paper, we present a visual based analysis approach to understanding and analyzing the performance and behavior of cloud computing systems. Our design is based on similarity measures and a layout method to portray the behavior of each compute node over time. When visualizing a large number of behavioral lines together, distinct patterns often appear suggesting particular types of performance bottleneck. The resulting system provides multiple linked views, which allow the user to interactively explore the data by examining the data or a selected subset at different levels of detail. Our case studies, which use datasets collected from two different cloud systems, show that this visual based approach is effective in identifying trends and anomalies of the systems.

Constructing Neuronal Network Models in Massively Parallel Environments.

PubMed

Ippen, Tammo; Eppler, Jochen M; Plesser, Hans E; Diesmann, Markus

2017-01-01

Recent advances in the development of data structures to represent spiking neuron network models enable us to exploit the complete memory of petascale computers for a single brain-scale network simulation. In this work, we investigate how well we can exploit the computing power of such supercomputers for the creation of neuronal networks. Using an established benchmark, we divide the runtime of simulation code into the phase of network construction and the phase during which the dynamical state is advanced in time. We find that on multi-core compute nodes network creation scales well with process-parallel code but exhibits a prohibitively large memory consumption. Thread-parallel network creation, in contrast, exhibits speedup only up to a small number of threads but has little overhead in terms of memory. We further observe that the algorithms creating instances of model neurons and their connections scale well for networks of ten thousand neurons, but do not show the same speedup for networks of millions of neurons. Our work uncovers that the lack of scaling of thread-parallel network creation is due to inadequate memory allocation strategies and demonstrates that thread-optimized memory allocators recover excellent scaling. An analysis of the loop order used for network construction reveals that more complex tests on the locality of operations significantly improve scaling and reduce runtime by allowing construction algorithms to step through large networks more efficiently than in existing code. The combination of these techniques increases performance by an order of magnitude and harnesses the increasingly parallel compute power of the compute nodes in high-performance clusters and supercomputers.

Constructing Neuronal Network Models in Massively Parallel Environments

PubMed Central

Ippen, Tammo; Eppler, Jochen M.; Plesser, Hans E.; Diesmann, Markus

2017-01-01

Recent advances in the development of data structures to represent spiking neuron network models enable us to exploit the complete memory of petascale computers for a single brain-scale network simulation. In this work, we investigate how well we can exploit the computing power of such supercomputers for the creation of neuronal networks. Using an established benchmark, we divide the runtime of simulation code into the phase of network construction and the phase during which the dynamical state is advanced in time. We find that on multi-core compute nodes network creation scales well with process-parallel code but exhibits a prohibitively large memory consumption. Thread-parallel network creation, in contrast, exhibits speedup only up to a small number of threads but has little overhead in terms of memory. We further observe that the algorithms creating instances of model neurons and their connections scale well for networks of ten thousand neurons, but do not show the same speedup for networks of millions of neurons. Our work uncovers that the lack of scaling of thread-parallel network creation is due to inadequate memory allocation strategies and demonstrates that thread-optimized memory allocators recover excellent scaling. An analysis of the loop order used for network construction reveals that more complex tests on the locality of operations significantly improve scaling and reduce runtime by allowing construction algorithms to step through large networks more efficiently than in existing code. The combination of these techniques increases performance by an order of magnitude and harnesses the increasingly parallel compute power of the compute nodes in high-performance clusters and supercomputers. PMID:28559808

High-Threshold Fault-Tolerant Quantum Computation with Analog Quantum Error Correction

NASA Astrophysics Data System (ADS)

Fukui, Kosuke; Tomita, Akihisa; Okamoto, Atsushi; Fujii, Keisuke

2018-04-01

To implement fault-tolerant quantum computation with continuous variables, the Gottesman-Kitaev-Preskill (GKP) qubit has been recognized as an important technological element. However, it is still challenging to experimentally generate the GKP qubit with the required squeezing level, 14.8 dB, of the existing fault-tolerant quantum computation. To reduce this requirement, we propose a high-threshold fault-tolerant quantum computation with GKP qubits using topologically protected measurement-based quantum computation with the surface code. By harnessing analog information contained in the GKP qubits, we apply analog quantum error correction to the surface code. Furthermore, we develop a method to prevent the squeezing level from decreasing during the construction of the large-scale cluster states for the topologically protected, measurement-based, quantum computation. We numerically show that the required squeezing level can be relaxed to less than 10 dB, which is within the reach of the current experimental technology. Hence, this work can considerably alleviate this experimental requirement and take a step closer to the realization of large-scale quantum computation.

Evidence for Bolgiano-Obukhov scaling in rotating stratified turbulence using high-resolution direct numerical simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenberg, Duane L; Pouquet, Dr. Annick; Mininni, Dr. Pablo D.

2015-01-01

We report results on rotating stratified turbulence in the absence of forcing, with large-scale isotropic initial conditions, using direct numerical simulations computed on grids of up tomore » $4096^3$ points. The Reynolds and Froude numbers are respectively equal to $$Re=5.4\\times 10^4$$ and $Fr=0.0242$$. The ratio of the Brunt-V\\"ais\\"al\\"a to the inertial wave frequency, $$N/f$, is taken to be equal to 5, a choice appropriate to model the dynamics of the southern abyssal ocean at mid latitudes. This gives a global buoyancy Reynolds number $$R_B=ReFr^2=32$$, a value sufficient for some isotropy to be recovered in the small scales beyond the Ozmidov scale, but still moderate enough that the intermediate scales where waves are prevalent are well resolved. We concentrate on the large-scale dynamics and confirm that the Froude number based on a typical vertical length scale is of order unity, with strong gradients in the vertical. Two characteristic scales emerge from this computation, and are identified from sharp variations in the spectral distribution of either total energy or helicity. A spectral break is also observed at a scale at which the partition of energy between the kinetic and potential modes changes abruptly, and beyond which a Kolmogorov-like spectrum recovers. Large slanted layers are ubiquitous in the flow in the velocity and temperature fields, and a large-scale enhancement of energy is also observed, directly attributable to the effect of rotation.« less

The Effect of Using Item Parameters Calibrated from Paper Administrations in Computer Adaptive Test Administrations

ERIC Educational Resources Information Center

Pommerich, Mary

2007-01-01

Computer administered tests are becoming increasingly prevalent as computer technology becomes more readily available on a large scale. For testing programs that utilize both computer and paper administrations, mode effects are problematic in that they can result in examinee scores that are artificially inflated or deflated. As such, researchers…

Advanced Computing Tools and Models for Accelerator Physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryne, Robert; Ryne, Robert D.

2008-06-11

This paper is based on a transcript of my EPAC'08 presentation on advanced computing tools for accelerator physics. Following an introduction I present several examples, provide a history of the development of beam dynamics capabilities, and conclude with thoughts on the future of large scale computing in accelerator physics.

Instructional Support Software System. Final Report.

ERIC Educational Resources Information Center

McDonnell Douglas Astronautics Co. - East, St. Louis, MO.

This report describes the development of the Instructional Support System (ISS), a large-scale, computer-based training system that supports both computer-assisted instruction and computer-managed instruction. Written in the Ada programming language, the ISS software package is designed to be machine independent. It is also grouped into functional…

MOLNs: A CLOUD PLATFORM FOR INTERACTIVE, REPRODUCIBLE, AND SCALABLE SPATIAL STOCHASTIC COMPUTATIONAL EXPERIMENTS IN SYSTEMS BIOLOGY USING PyURDME.

PubMed

Drawert, Brian; Trogdon, Michael; Toor, Salman; Petzold, Linda; Hellander, Andreas

2016-01-01

Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools and a complex software stack, as well as large and scalable compute and data analysis resources due to the large computational cost associated with Monte Carlo computational workflows. The complexity of setting up and managing a large-scale distributed computation environment to support productive and reproducible modeling can be prohibitive for practitioners in systems biology. This results in a barrier to the adoption of spatial stochastic simulation tools, effectively limiting the type of biological questions addressed by quantitative modeling. In this paper, we present PyURDME, a new, user-friendly spatial modeling and simulation package, and MOLNs, a cloud computing appliance for distributed simulation of stochastic reaction-diffusion models. MOLNs is based on IPython and provides an interactive programming platform for development of sharable and reproducible distributed parallel computational experiments.

Using technology to support investigations in the electronic age: tracking hackers to large scale international computer fraud

NASA Astrophysics Data System (ADS)

McFall, Steve

1994-03-01

With the increase in business automation and the widespread availability and low cost of computer systems, law enforcement agencies have seen a corresponding increase in criminal acts involving computers. The examination of computer evidence is a new field of forensic science with numerous opportunities for research and development. Research is needed to develop new software utilities to examine computer storage media, expert systems capable of finding criminal activity in large amounts of data, and to find methods of recovering data from chemically and physically damaged computer storage media. In addition, defeating encryption and password protection of computer files is also a topic requiring more research and development.

Concepts and Plans towards fast large scale Monte Carlo production for the ATLAS Experiment

NASA Astrophysics Data System (ADS)

Ritsch, E.; Atlas Collaboration

2014-06-01

The huge success of the physics program of the ATLAS experiment at the Large Hadron Collider (LHC) during Run 1 relies upon a great number of simulated Monte Carlo events. This Monte Carlo production takes the biggest part of the computing resources being in use by ATLAS as of now. In this document we describe the plans to overcome the computing resource limitations for large scale Monte Carlo production in the ATLAS Experiment for Run 2, and beyond. A number of fast detector simulation, digitization and reconstruction techniques are being discussed, based upon a new flexible detector simulation framework. To optimally benefit from these developments, a redesigned ATLAS MC production chain is presented at the end of this document.

Coalescence computations for large samples drawn from populations of time-varying sizes

PubMed Central

Polanski, Andrzej; Szczesna, Agnieszka; Garbulowski, Mateusz; Kimmel, Marek

2017-01-01

We present new results concerning probability distributions of times in the coalescence tree and expected allele frequencies for coalescent with large sample size. The obtained results are based on computational methodologies, which involve combining coalescence time scale changes with techniques of integral transformations and using analytical formulae for infinite products. We show applications of the proposed methodologies for computing probability distributions of times in the coalescence tree and their limits, for evaluation of accuracy of approximate expressions for times in the coalescence tree and expected allele frequencies, and for analysis of large human mitochondrial DNA dataset. PMID:28170404

Computation of large-scale statistics in decaying isotropic turbulence

NASA Technical Reports Server (NTRS)

Chasnov, Jeffrey R.

1993-01-01

We have performed large-eddy simulations of decaying isotropic turbulence to test the prediction of self-similar decay of the energy spectrum and to compute the decay exponents of the kinetic energy. In general, good agreement between the simulation results and the assumption of self-similarity were obtained. However, the statistics of the simulations were insufficient to compute the value of gamma which corrects the decay exponent when the spectrum follows a k(exp 4) wave number behavior near k = 0. To obtain good statistics, it was found necessary to average over a large ensemble of turbulent flows.

Generation of large-scale magnetic fields by small-scale dynamo in shear flows

NASA Astrophysics Data System (ADS)

Squire, Jonathan; Bhattacharjee, Amitava

2015-11-01

A new mechanism for turbulent mean-field dynamo is proposed, in which the magnetic fluctuations resulting from a small-scale dynamo drive the generation of large-scale magnetic fields. This is in stark contrast to the common idea that small-scale magnetic fields should be harmful to large-scale dynamo action. These dynamos occur in the presence of large-scale velocity shear and do not require net helicity, resulting from off-diagonal components of the turbulent resistivity tensor as the magnetic analogue of the ``shear-current'' effect. The dynamo is studied using a variety of computational and analytic techniques, both when the magnetic fluctuations arise self-consistently through the small-scale dynamo and in lower Reynolds number regimes. Given the inevitable existence of non-helical small-scale magnetic fields in turbulent plasmas, as well as the generic nature of velocity shear, the suggested mechanism may help to explain generation of large-scale magnetic fields across a wide range of astrophysical objects. This work was supported by a Procter Fellowship at Princeton University, and the US Department of Energy Grant DE-AC02-09-CH11466.

Large-scale neural circuit mapping data analysis accelerated with the graphical processing unit (GPU).

PubMed

Shi, Yulin; Veidenbaum, Alexander V; Nicolau, Alex; Xu, Xiangmin

2015-01-15

Modern neuroscience research demands computing power. Neural circuit mapping studies such as those using laser scanning photostimulation (LSPS) produce large amounts of data and require intensive computation for post hoc processing and analysis. Here we report on the design and implementation of a cost-effective desktop computer system for accelerated experimental data processing with recent GPU computing technology. A new version of Matlab software with GPU enabled functions is used to develop programs that run on Nvidia GPUs to harness their parallel computing power. We evaluated both the central processing unit (CPU) and GPU-enabled computational performance of our system in benchmark testing and practical applications. The experimental results show that the GPU-CPU co-processing of simulated data and actual LSPS experimental data clearly outperformed the multi-core CPU with up to a 22× speedup, depending on computational tasks. Further, we present a comparison of numerical accuracy between GPU and CPU computation to verify the precision of GPU computation. In addition, we show how GPUs can be effectively adapted to improve the performance of commercial image processing software such as Adobe Photoshop. To our best knowledge, this is the first demonstration of GPU application in neural circuit mapping and electrophysiology-based data processing. Together, GPU enabled computation enhances our ability to process large-scale data sets derived from neural circuit mapping studies, allowing for increased processing speeds while retaining data precision. Copyright © 2014 Elsevier B.V. All rights reserved.

Large scale neural circuit mapping data analysis accelerated with the graphical processing unit (GPU)

PubMed Central

Shi, Yulin; Veidenbaum, Alexander V.; Nicolau, Alex; Xu, Xiangmin

2014-01-01

Background Modern neuroscience research demands computing power. Neural circuit mapping studies such as those using laser scanning photostimulation (LSPS) produce large amounts of data and require intensive computation for post-hoc processing and analysis. New Method Here we report on the design and implementation of a cost-effective desktop computer system for accelerated experimental data processing with recent GPU computing technology. A new version of Matlab software with GPU enabled functions is used to develop programs that run on Nvidia GPUs to harness their parallel computing power. Results We evaluated both the central processing unit (CPU) and GPU-enabled computational performance of our system in benchmark testing and practical applications. The experimental results show that the GPU-CPU co-processing of simulated data and actual LSPS experimental data clearly outperformed the multi-core CPU with up to a 22x speedup, depending on computational tasks. Further, we present a comparison of numerical accuracy between GPU and CPU computation to verify the precision of GPU computation. In addition, we show how GPUs can be effectively adapted to improve the performance of commercial image processing software such as Adobe Photoshop. Comparison with Existing Method(s) To our best knowledge, this is the first demonstration of GPU application in neural circuit mapping and electrophysiology-based data processing. Conclusions Together, GPU enabled computation enhances our ability to process large-scale data sets derived from neural circuit mapping studies, allowing for increased processing speeds while retaining data precision. PMID:25277633

Computational Issues in Damping Identification for Large Scale Problems

NASA Technical Reports Server (NTRS)

Pilkey, Deborah L.; Roe, Kevin P.; Inman, Daniel J.

1997-01-01

Two damping identification methods are tested for efficiency in large-scale applications. One is an iterative routine, and the other a least squares method. Numerical simulations have been performed on multiple degree-of-freedom models to test the effectiveness of the algorithm and the usefulness of parallel computation for the problems. High Performance Fortran is used to parallelize the algorithm. Tests were performed using the IBM-SP2 at NASA Ames Research Center. The least squares method tested incurs high communication costs, which reduces the benefit of high performance computing. This method's memory requirement grows at a very rapid rate meaning that larger problems can quickly exceed available computer memory. The iterative method's memory requirement grows at a much slower pace and is able to handle problems with 500+ degrees of freedom on a single processor. This method benefits from parallelization, and significant speedup can he seen for problems of 100+ degrees-of-freedom.

Parallel Domain Decomposition Formulation and Software for Large-Scale Sparse Symmetrical/Unsymmetrical Aeroacoustic Applications

NASA Technical Reports Server (NTRS)

Nguyen, D. T.; Watson, Willie R. (Technical Monitor)

2005-01-01

The overall objectives of this research work are to formulate and validate efficient parallel algorithms, and to efficiently design/implement computer software for solving large-scale acoustic problems, arised from the unified frameworks of the finite element procedures. The adopted parallel Finite Element (FE) Domain Decomposition (DD) procedures should fully take advantages of multiple processing capabilities offered by most modern high performance computing platforms for efficient parallel computation. To achieve this objective. the formulation needs to integrate efficient sparse (and dense) assembly techniques, hybrid (or mixed) direct and iterative equation solvers, proper pre-conditioned strategies, unrolling strategies, and effective processors' communicating schemes. Finally, the numerical performance of the developed parallel finite element procedures will be evaluated by solving series of structural, and acoustic (symmetrical and un-symmetrical) problems (in different computing platforms). Comparisons with existing "commercialized" and/or "public domain" software are also included, whenever possible.

Scalable parallel distance field construction for large-scale applications

DOE PAGES

Yu, Hongfeng; Xie, Jinrong; Ma, Kwan -Liu; ...

2015-10-01

Computing distance fields is fundamental to many scientific and engineering applications. Distance fields can be used to direct analysis and reduce data. In this paper, we present a highly scalable method for computing 3D distance fields on massively parallel distributed-memory machines. Anew distributed spatial data structure, named parallel distance tree, is introduced to manage the level sets of data and facilitate surface tracking overtime, resulting in significantly reduced computation and communication costs for calculating the distance to the surface of interest from any spatial locations. Our method supports several data types and distance metrics from real-world applications. We demonstrate itsmore » efficiency and scalability on state-of-the-art supercomputers using both large-scale volume datasets and surface models. We also demonstrate in-situ distance field computation on dynamic turbulent flame surfaces for a petascale combustion simulation. In conclusion, our work greatly extends the usability of distance fields for demanding applications.« less

Scalable Parallel Distance Field Construction for Large-Scale Applications.

PubMed

Yu, Hongfeng; Xie, Jinrong; Ma, Kwan-Liu; Kolla, Hemanth; Chen, Jacqueline H

2015-10-01

Computing distance fields is fundamental to many scientific and engineering applications. Distance fields can be used to direct analysis and reduce data. In this paper, we present a highly scalable method for computing 3D distance fields on massively parallel distributed-memory machines. A new distributed spatial data structure, named parallel distance tree, is introduced to manage the level sets of data and facilitate surface tracking over time, resulting in significantly reduced computation and communication costs for calculating the distance to the surface of interest from any spatial locations. Our method supports several data types and distance metrics from real-world applications. We demonstrate its efficiency and scalability on state-of-the-art supercomputers using both large-scale volume datasets and surface models. We also demonstrate in-situ distance field computation on dynamic turbulent flame surfaces for a petascale combustion simulation. Our work greatly extends the usability of distance fields for demanding applications.

A class of hybrid finite element methods for electromagnetics: A review

NASA Technical Reports Server (NTRS)

Volakis, J. L.; Chatterjee, A.; Gong, J.

1993-01-01

Integral equation methods have generally been the workhorse for antenna and scattering computations. In the case of antennas, they continue to be the prominent computational approach, but for scattering applications the requirement for large-scale computations has turned researchers' attention to near neighbor methods such as the finite element method, which has low O(N) storage requirements and is readily adaptable in modeling complex geometrical features and material inhomogeneities. In this paper, we review three hybrid finite element methods for simulating composite scatterers, conformal microstrip antennas, and finite periodic arrays. Specifically, we discuss the finite element method and its application to electromagnetic problems when combined with the boundary integral, absorbing boundary conditions, and artificial absorbers for terminating the mesh. Particular attention is given to large-scale simulations, methods, and solvers for achieving low memory requirements and code performance on parallel computing architectures.

Large-Scale Simulations of Plastic Neural Networks on Neuromorphic Hardware

PubMed Central

Knight, James C.; Tully, Philip J.; Kaplan, Bernhard A.; Lansner, Anders; Furber, Steve B.

2016-01-01

SpiNNaker is a digital, neuromorphic architecture designed for simulating large-scale spiking neural networks at speeds close to biological real-time. Rather than using bespoke analog or digital hardware, the basic computational unit of a SpiNNaker system is a general-purpose ARM processor, allowing it to be programmed to simulate a wide variety of neuron and synapse models. This flexibility is particularly valuable in the study of biological plasticity phenomena. A recently proposed learning rule based on the Bayesian Confidence Propagation Neural Network (BCPNN) paradigm offers a generic framework for modeling the interaction of different plasticity mechanisms using spiking neurons. However, it can be computationally expensive to simulate large networks with BCPNN learning since it requires multiple state variables for each synapse, each of which needs to be updated every simulation time-step. We discuss the trade-offs in efficiency and accuracy involved in developing an event-based BCPNN implementation for SpiNNaker based on an analytical solution to the BCPNN equations, and detail the steps taken to fit this within the limited computational and memory resources of the SpiNNaker architecture. We demonstrate this learning rule by learning temporal sequences of neural activity within a recurrent attractor network which we simulate at scales of up to 2.0 × 104 neurons and 5.1 × 107 plastic synapses: the largest plastic neural network ever to be simulated on neuromorphic hardware. We also run a comparable simulation on a Cray XC-30 supercomputer system and find that, if it is to match the run-time of our SpiNNaker simulation, the super computer system uses approximately 45× more power. This suggests that cheaper, more power efficient neuromorphic systems are becoming useful discovery tools in the study of plasticity in large-scale brain models. PMID:27092061

Implementation of highly parallel and large scale GW calculations within the OpenAtom software

NASA Astrophysics Data System (ADS)

Ismail-Beigi, Sohrab

The need to describe electronic excitations with better accuracy than provided by band structures produced by Density Functional Theory (DFT) has been a long-term enterprise for the computational condensed matter and materials theory communities. In some cases, appropriate theoretical frameworks have existed for some time but have been difficult to apply widely due to computational cost. For example, the GW approximation incorporates a great deal of important non-local and dynamical electronic interaction effects but has been too computationally expensive for routine use in large materials simulations. OpenAtom is an open source massively parallel ab initiodensity functional software package based on plane waves and pseudopotentials (http://charm.cs.uiuc.edu/OpenAtom/) that takes advantage of the Charm + + parallel framework. At present, it is developed via a three-way collaboration, funded by an NSF SI2-SSI grant (ACI-1339804), between Yale (Ismail-Beigi), IBM T. J. Watson (Glenn Martyna) and the University of Illinois at Urbana Champaign (Laxmikant Kale). We will describe the project and our current approach towards implementing large scale GW calculations with OpenAtom. Potential applications of large scale parallel GW software for problems involving electronic excitations in semiconductor and/or metal oxide systems will be also be pointed out.

Advanced computational simulations of water waves interacting with wave energy converters

NASA Astrophysics Data System (ADS)

Pathak, Ashish; Freniere, Cole; Raessi, Mehdi

2017-03-01

Wave energy converter (WEC) devices harness the renewable ocean wave energy and convert it into useful forms of energy, e.g. mechanical or electrical. This paper presents an advanced 3D computational framework to study the interaction between water waves and WEC devices. The computational tool solves the full Navier-Stokes equations and considers all important effects impacting the device performance. To enable large-scale simulations in fast turnaround times, the computational solver was developed in an MPI parallel framework. A fast multigrid preconditioned solver is introduced to solve the computationally expensive pressure Poisson equation. The computational solver was applied to two surface-piercing WEC geometries: bottom-hinged cylinder and flap. Their numerically simulated response was validated against experimental data. Additional simulations were conducted to investigate the applicability of Froude scaling in predicting full-scale WEC response from the model experiments.

A hybrid computational strategy to address WGS variant analysis in >5000 samples.

PubMed

Huang, Zhuoyi; Rustagi, Navin; Veeraraghavan, Narayanan; Carroll, Andrew; Gibbs, Richard; Boerwinkle, Eric; Venkata, Manjunath Gorentla; Yu, Fuli

2016-09-10

The decreasing costs of sequencing are driving the need for cost effective and real time variant calling of whole genome sequencing data. The scale of these projects are far beyond the capacity of typical computing resources available with most research labs. Other infrastructures like the cloud AWS environment and supercomputers also have limitations due to which large scale joint variant calling becomes infeasible, and infrastructure specific variant calling strategies either fail to scale up to large datasets or abandon joint calling strategies. We present a high throughput framework including multiple variant callers for single nucleotide variant (SNV) calling, which leverages hybrid computing infrastructure consisting of cloud AWS, supercomputers and local high performance computing infrastructures. We present a novel binning approach for large scale joint variant calling and imputation which can scale up to over 10,000 samples while producing SNV callsets with high sensitivity and specificity. As a proof of principle, we present results of analysis on Cohorts for Heart And Aging Research in Genomic Epidemiology (CHARGE) WGS freeze 3 dataset in which joint calling, imputation and phasing of over 5300 whole genome samples was produced in under 6 weeks using four state-of-the-art callers. The callers used were SNPTools, GATK-HaplotypeCaller, GATK-UnifiedGenotyper and GotCloud. We used Amazon AWS, a 4000-core in-house cluster at Baylor College of Medicine, IBM power PC Blue BioU at Rice and Rhea at Oak Ridge National Laboratory (ORNL) for the computation. AWS was used for joint calling of 180 TB of BAM files, and ORNL and Rice supercomputers were used for the imputation and phasing step. All other steps were carried out on the local compute cluster. The entire operation used 5.2 million core hours and only transferred a total of 6 TB of data across the platforms. Even with increasing sizes of whole genome datasets, ensemble joint calling of SNVs for low coverage data can be accomplished in a scalable, cost effective and fast manner by using heterogeneous computing platforms without compromising on the quality of variants.

A k-space method for large-scale models of wave propagation in tissue.

PubMed

Mast, T D; Souriau, L P; Liu, D L; Tabei, M; Nachman, A I; Waag, R C

2001-03-01

Large-scale simulation of ultrasonic pulse propagation in inhomogeneous tissue is important for the study of ultrasound-tissue interaction as well as for development of new imaging methods. Typical scales of interest span hundreds of wavelengths; most current two-dimensional methods, such as finite-difference and finite-element methods, are unable to compute propagation on this scale with the efficiency needed for imaging studies. Furthermore, for most available methods of simulating ultrasonic propagation, large-scale, three-dimensional computations of ultrasonic scattering are infeasible. Some of these difficulties have been overcome by previous pseudospectral and k-space methods, which allow substantial portions of the necessary computations to be executed using fast Fourier transforms. This paper presents a simplified derivation of the k-space method for a medium of variable sound speed and density; the derivation clearly shows the relationship of this k-space method to both past k-space methods and pseudospectral methods. In the present method, the spatial differential equations are solved by a simple Fourier transform method, and temporal iteration is performed using a k-t space propagator. The temporal iteration procedure is shown to be exact for homogeneous media, unconditionally stable for "slow" (c(x) < or = c0) media, and highly accurate for general weakly scattering media. The applicability of the k-space method to large-scale soft tissue modeling is shown by simulating two-dimensional propagation of an incident plane wave through several tissue-mimicking cylinders as well as a model chest wall cross section. A three-dimensional implementation of the k-space method is also employed for the example problem of propagation through a tissue-mimicking sphere. Numerical results indicate that the k-space method is accurate for large-scale soft tissue computations with much greater efficiency than that of an analogous leapfrog pseudospectral method or a 2-4 finite difference time-domain method. However, numerical results also indicate that the k-space method is less accurate than the finite-difference method for a high contrast scatterer with bone-like properties, although qualitative results can still be obtained by the k-space method with high efficiency. Possible extensions to the method, including representation of absorption effects, absorbing boundary conditions, elastic-wave propagation, and acoustic nonlinearity, are discussed.

Large Eddy Simulation ... Where Do We Stand? International Workshop Held in St. Petersburg Beach, Florida on 19-21 December 1990.

DTIC Science & Technology

1990-01-01

S. Orszag, Chairman 1. P. Moin Some Issues in Computation of Turbulent Flows. 2. M. Lesieur, P. Comte, X. Normand, 0. Metais and A. Silveira Spectral...Richtmeyer’s computational experience with one-dimensional shock waves (1950) indicated the value of a non-linear artificial viscosity. Charney and... computer architecture and the advantages of semi-Lagrangian advective schemes may lure large-scale atmospheric modelers back to finite-difference

Can a numerically stable subgrid-scale model for turbulent flow computation be ideally accurate?: a preliminary theoretical study for the Gaussian filtered Navier-Stokes equations.

PubMed

Ida, Masato; Taniguchi, Nobuyuki

2003-09-01

This paper introduces a candidate for the origin of the numerical instabilities in large eddy simulation repeatedly observed in academic and practical industrial flow computations. Without resorting to any subgrid-scale modeling, but based on a simple assumption regarding the streamwise component of flow velocity, it is shown theoretically that in a channel-flow computation, the application of the Gaussian filtering to the incompressible Navier-Stokes equations yields a numerically unstable term, a cross-derivative term, which is similar to one appearing in the Gaussian filtered Vlasov equation derived by Klimas [J. Comput. Phys. 68, 202 (1987)] and also to one derived recently by Kobayashi and Shimomura [Phys. Fluids 15, L29 (2003)] from the tensor-diffusivity subgrid-scale term in a dynamic mixed model. The present result predicts that not only the numerical methods and the subgrid-scale models employed but also only the applied filtering process can be a seed of this numerical instability. An investigation concerning the relationship between the turbulent energy scattering and the unstable term shows that the instability of the term does not necessarily represent the backscatter of kinetic energy which has been considered a possible origin of numerical instabilities in large eddy simulation. The present findings raise the question whether a numerically stable subgrid-scale model can be ideally accurate.

Large-scale exact diagonalizations reveal low-momentum scales of nuclei

NASA Astrophysics Data System (ADS)

Forssén, C.; Carlsson, B. D.; Johansson, H. T.; Sääf, D.; Bansal, A.; Hagen, G.; Papenbrock, T.

2018-03-01

Ab initio methods aim to solve the nuclear many-body problem with controlled approximations. Virtually exact numerical solutions for realistic interactions can only be obtained for certain special cases such as few-nucleon systems. Here we extend the reach of exact diagonalization methods to handle model spaces with dimension exceeding 1010 on a single compute node. This allows us to perform no-core shell model (NCSM) calculations for 6Li in model spaces up to Nmax=22 and to reveal the 4He+d halo structure of this nucleus. Still, the use of a finite harmonic-oscillator basis implies truncations in both infrared (IR) and ultraviolet (UV) length scales. These truncations impose finite-size corrections on observables computed in this basis. We perform IR extrapolations of energies and radii computed in the NCSM and with the coupled-cluster method at several fixed UV cutoffs. It is shown that this strategy enables information gain also from data that is not fully UV converged. IR extrapolations improve the accuracy of relevant bound-state observables for a range of UV cutoffs, thus making them profitable tools. We relate the momentum scale that governs the exponential IR convergence to the threshold energy for the first open decay channel. Using large-scale NCSM calculations we numerically verify this small-momentum scale of finite nuclei.

A Comparison of Linking Methods for Estimating National Trends in International Comparative Large-Scale Assessments in the Presence of Cross-national DIF

ERIC Educational Resources Information Center

Sachse, Karoline A.; Roppelt, Alexander; Haag, Nicole

2016-01-01

Trend estimation in international comparative large-scale assessments relies on measurement invariance between countries. However, cross-national differential item functioning (DIF) has been repeatedly documented. We ran a simulation study using national item parameters, which required trends to be computed separately for each country, to compare…

Universal Batch Steganalysis

DTIC Science & Technology

2014-06-30

steganalysis) in large-scale datasets such as might be obtained by monitoring a corporate network or social network. Identifying guilty actors...guilty’ user (of steganalysis) in large-scale datasets such as might be obtained by monitoring a corporate network or social network. Identifying guilty...floating point operations (1 TFLOPs) for a 1 megapixel image. We designed a new implementation using Compute Unified Device Architecture (CUDA) on NVIDIA

Rapid solution of large-scale systems of equations

NASA Technical Reports Server (NTRS)

Storaasli, Olaf O.

1994-01-01

The analysis and design of complex aerospace structures requires the rapid solution of large systems of linear and nonlinear equations, eigenvalue extraction for buckling, vibration and flutter modes, structural optimization and design sensitivity calculation. Computers with multiple processors and vector capabilities can offer substantial computational advantages over traditional scalar computer for these analyses. These computers fall into two categories: shared memory computers and distributed memory computers. This presentation covers general-purpose, highly efficient algorithms for generation/assembly or element matrices, solution of systems of linear and nonlinear equations, eigenvalue and design sensitivity analysis and optimization. All algorithms are coded in FORTRAN for shared memory computers and many are adapted to distributed memory computers. The capability and numerical performance of these algorithms will be addressed.

Discriminative Hierarchical K-Means Tree for Large-Scale Image Classification.

PubMed

Chen, Shizhi; Yang, Xiaodong; Tian, Yingli

2015-09-01

A key challenge in large-scale image classification is how to achieve efficiency in terms of both computation and memory without compromising classification accuracy. The learning-based classifiers achieve the state-of-the-art accuracies, but have been criticized for the computational complexity that grows linearly with the number of classes. The nonparametric nearest neighbor (NN)-based classifiers naturally handle large numbers of categories, but incur prohibitively expensive computation and memory costs. In this brief, we present a novel classification scheme, i.e., discriminative hierarchical K-means tree (D-HKTree), which combines the advantages of both learning-based and NN-based classifiers. The complexity of the D-HKTree only grows sublinearly with the number of categories, which is much better than the recent hierarchical support vector machines-based methods. The memory requirement is the order of magnitude less than the recent Naïve Bayesian NN-based approaches. The proposed D-HKTree classification scheme is evaluated on several challenging benchmark databases and achieves the state-of-the-art accuracies, while with significantly lower computation cost and memory requirement.

Concurrent heterogeneous neural model simulation on real-time neuromimetic hardware.

PubMed

Rast, Alexander; Galluppi, Francesco; Davies, Sergio; Plana, Luis; Patterson, Cameron; Sharp, Thomas; Lester, David; Furber, Steve

2011-11-01

Dedicated hardware is becoming increasingly essential to simulate emerging very-large-scale neural models. Equally, however, it needs to be able to support multiple models of the neural dynamics, possibly operating simultaneously within the same system. This may be necessary either to simulate large models with heterogeneous neural types, or to simplify simulation and analysis of detailed, complex models in a large simulation by isolating the new model to a small subpopulation of a larger overall network. The SpiNNaker neuromimetic chip is a dedicated neural processor able to support such heterogeneous simulations. Implementing these models on-chip uses an integrated library-based tool chain incorporating the emerging PyNN interface that allows a modeller to input a high-level description and use an automated process to generate an on-chip simulation. Simulations using both LIF and Izhikevich models demonstrate the ability of the SpiNNaker system to generate and simulate heterogeneous networks on-chip, while illustrating, through the network-scale effects of wavefront synchronisation and burst gating, methods that can provide effective behavioural abstractions for large-scale hardware modelling. SpiNNaker's asynchronous virtual architecture permits greater scope for model exploration, with scalable levels of functional and temporal abstraction, than conventional (or neuromorphic) computing platforms. The complete system illustrates a potential path to understanding the neural model of computation, by building (and breaking) neural models at various scales, connecting the blocks, then comparing them against the biology: computational cognitive neuroscience. Copyright © 2011 Elsevier Ltd. All rights reserved.

Large-Scale Distributed Computational Fluid Dynamics on the Information Power Grid Using Globus

NASA Technical Reports Server (NTRS)

Barnard, Stephen; Biswas, Rupak; Saini, Subhash; VanderWijngaart, Robertus; Yarrow, Maurice; Zechtzer, Lou; Foster, Ian; Larsson, Olle

1999-01-01

This paper describes an experiment in which a large-scale scientific application development for tightly-coupled parallel machines is adapted to the distributed execution environment of the Information Power Grid (IPG). A brief overview of the IPG and a description of the computational fluid dynamics (CFD) algorithm are given. The Globus metacomputing toolkit is used as the enabling device for the geographically-distributed computation. Modifications related to latency hiding and Load balancing were required for an efficient implementation of the CFD application in the IPG environment. Performance results on a pair of SGI Origin 2000 machines indicate that real scientific applications can be effectively implemented on the IPG; however, a significant amount of continued effort is required to make such an environment useful and accessible to scientists and engineers.

GLAD: a system for developing and deploying large-scale bioinformatics grid.

PubMed

Teo, Yong-Meng; Wang, Xianbing; Ng, Yew-Kwong

2005-03-01

Grid computing is used to solve large-scale bioinformatics problems with gigabytes database by distributing the computation across multiple platforms. Until now in developing bioinformatics grid applications, it is extremely tedious to design and implement the component algorithms and parallelization techniques for different classes of problems, and to access remotely located sequence database files of varying formats across the grid. In this study, we propose a grid programming toolkit, GLAD (Grid Life sciences Applications Developer), which facilitates the development and deployment of bioinformatics applications on a grid. GLAD has been developed using ALiCE (Adaptive scaLable Internet-based Computing Engine), a Java-based grid middleware, which exploits the task-based parallelism. Two bioinformatics benchmark applications, such as distributed sequence comparison and distributed progressive multiple sequence alignment, have been developed using GLAD.

ACCURATE CHEMICAL MASTER EQUATION SOLUTION USING MULTI-FINITE BUFFERS

PubMed Central

Cao, Youfang; Terebus, Anna; Liang, Jie

2016-01-01

The discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multi-scale nature of many networks where reaction rates have large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the Accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multi-finite buffers for reducing the state space by O(n!), exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes, and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be pre-computed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multi-scale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks. PMID:27761104

Optimization of large matrix calculations for execution on the Cray X-MP vector supercomputer

NASA Technical Reports Server (NTRS)

Hornfeck, William A.

1988-01-01

A considerable volume of large computational computer codes were developed for NASA over the past twenty-five years. This code represents algorithms developed for machines of earlier generation. With the emergence of the vector supercomputer as a viable, commercially available machine, an opportunity exists to evaluate optimization strategies to improve the efficiency of existing software. This result is primarily due to architectural differences in the latest generation of large-scale machines and the earlier, mostly uniprocessor, machines. A sofware package being used by NASA to perform computations on large matrices is described, and a strategy for conversion to the Cray X-MP vector supercomputer is also described.

A Lagrangian subgrid-scale model with dynamic estimation of Lagrangian time scale for large eddy simulation of complex flows

NASA Astrophysics Data System (ADS)

Verma, Aman; Mahesh, Krishnan

2012-08-01

The dynamic Lagrangian averaging approach for the dynamic Smagorinsky model for large eddy simulation is extended to an unstructured grid framework and applied to complex flows. The Lagrangian time scale is dynamically computed from the solution and does not need any adjustable parameter. The time scale used in the standard Lagrangian model contains an adjustable parameter θ. The dynamic time scale is computed based on a "surrogate-correlation" of the Germano-identity error (GIE). Also, a simple material derivative relation is used to approximate GIE at different events along a pathline instead of Lagrangian tracking or multi-linear interpolation. Previously, the time scale for homogeneous flows was computed by averaging along directions of homogeneity. The present work proposes modifications for inhomogeneous flows. This development allows the Lagrangian averaged dynamic model to be applied to inhomogeneous flows without any adjustable parameter. The proposed model is applied to LES of turbulent channel flow on unstructured zonal grids at various Reynolds numbers. Improvement is observed when compared to other averaging procedures for the dynamic Smagorinsky model, especially at coarse resolutions. The model is also applied to flow over a cylinder at two Reynolds numbers and good agreement with previous computations and experiments is obtained. Noticeable improvement is obtained using the proposed model over the standard Lagrangian model. The improvement is attributed to a physically consistent Lagrangian time scale. The model also shows good performance when applied to flow past a marine propeller in an off-design condition; it regularizes the eddy viscosity and adjusts locally to the dominant flow features.

Distributed weighted least-squares estimation with fast convergence for large-scale systems.

PubMed

Marelli, Damián Edgardo; Fu, Minyue

2015-01-01

In this paper we study a distributed weighted least-squares estimation problem for a large-scale system consisting of a network of interconnected sub-systems. Each sub-system is concerned with a subset of the unknown parameters and has a measurement linear in the unknown parameters with additive noise. The distributed estimation task is for each sub-system to compute the globally optimal estimate of its own parameters using its own measurement and information shared with the network through neighborhood communication. We first provide a fully distributed iterative algorithm to asymptotically compute the global optimal estimate. The convergence rate of the algorithm will be maximized using a scaling parameter and a preconditioning method. This algorithm works for a general network. For a network without loops, we also provide a different iterative algorithm to compute the global optimal estimate which converges in a finite number of steps. We include numerical experiments to illustrate the performances of the proposed methods.

Distributed weighted least-squares estimation with fast convergence for large-scale systems☆

PubMed Central

Marelli, Damián Edgardo; Fu, Minyue

2015-01-01

In this paper we study a distributed weighted least-squares estimation problem for a large-scale system consisting of a network of interconnected sub-systems. Each sub-system is concerned with a subset of the unknown parameters and has a measurement linear in the unknown parameters with additive noise. The distributed estimation task is for each sub-system to compute the globally optimal estimate of its own parameters using its own measurement and information shared with the network through neighborhood communication. We first provide a fully distributed iterative algorithm to asymptotically compute the global optimal estimate. The convergence rate of the algorithm will be maximized using a scaling parameter and a preconditioning method. This algorithm works for a general network. For a network without loops, we also provide a different iterative algorithm to compute the global optimal estimate which converges in a finite number of steps. We include numerical experiments to illustrate the performances of the proposed methods. PMID:25641976

Large-Scale Cubic-Scaling Random Phase Approximation Correlation Energy Calculations Using a Gaussian Basis.

PubMed

Wilhelm, Jan; Seewald, Patrick; Del Ben, Mauro; Hutter, Jürg

2016-12-13

We present an algorithm for computing the correlation energy in the random phase approximation (RPA) in a Gaussian basis requiring [Formula: see text] operations and [Formula: see text] memory. The method is based on the resolution of the identity (RI) with the overlap metric, a reformulation of RI-RPA in the Gaussian basis, imaginary time, and imaginary frequency integration techniques, and the use of sparse linear algebra. Additional memory reduction without extra computations can be achieved by an iterative scheme that overcomes the memory bottleneck of canonical RPA implementations. We report a massively parallel implementation that is the key for the application to large systems. Finally, cubic-scaling RPA is applied to a thousand water molecules using a correlation-consistent triple-ζ quality basis.

Managing large-scale workflow execution from resource provisioning to provenance tracking: The CyberShake example

USGS Publications Warehouse

Deelman, E.; Callaghan, S.; Field, E.; Francoeur, H.; Graves, R.; Gupta, N.; Gupta, V.; Jordan, T.H.; Kesselman, C.; Maechling, P.; Mehringer, J.; Mehta, G.; Okaya, D.; Vahi, K.; Zhao, L.

2006-01-01

This paper discusses the process of building an environment where large-scale, complex, scientific analysis can be scheduled onto a heterogeneous collection of computational and storage resources. The example application is the Southern California Earthquake Center (SCEC) CyberShake project, an analysis designed to compute probabilistic seismic hazard curves for sites in the Los Angeles area. We explain which software tools were used to build to the system, describe their functionality and interactions. We show the results of running the CyberShake analysis that included over 250,000 jobs using resources available through SCEC and the TeraGrid. ?? 2006 IEEE.

Coniferous canopy BRF simulation based on 3-D realistic scene.

PubMed

Wang, Xin-Yun; Guo, Zhi-Feng; Qin, Wen-Han; Sun, Guo-Qing

2011-09-01

It is difficulties for the computer simulation method to study radiation regime at large-scale. Simplified coniferous model was investigated in the present study. It makes the computer simulation methods such as L-systems and radiosity-graphics combined method (RGM) more powerful in remote sensing of heterogeneous coniferous forests over a large-scale region. L-systems is applied to render 3-D coniferous forest scenarios, and RGM model was used to calculate BRF (bidirectional reflectance factor) in visible and near-infrared regions. Results in this study show that in most cases both agreed well. Meanwhile at a tree and forest level, the results are also good.

Coniferous Canopy BRF Simulation Based on 3-D Realistic Scene

NASA Technical Reports Server (NTRS)

Wang, Xin-yun; Guo, Zhi-feng; Qin, Wen-han; Sun, Guo-qing

2011-01-01

It is difficulties for the computer simulation method to study radiation regime at large-scale. Simplified coniferous model was investigate d in the present study. It makes the computer simulation methods such as L-systems and radiosity-graphics combined method (RGM) more powerf ul in remote sensing of heterogeneous coniferous forests over a large -scale region. L-systems is applied to render 3-D coniferous forest scenarios: and RGM model was used to calculate BRF (bidirectional refle ctance factor) in visible and near-infrared regions. Results in this study show that in most cases both agreed well. Meanwhiie at a tree and forest level. the results are also good.

Using a Large Scale Computational Model to Study the Effect of Longitudinal and Radial Electrical Coupling in the Cochlea

NASA Astrophysics Data System (ADS)

Mistrík, Pavel; Ashmore, Jonathan

2009-02-01

We describe a large scale computational model of electrical current flow in the cochlea which is constructed by a flexible Modified Nodal Analysis algorithm to incorporate electrical components representing hair cells and the intercellular radial and longitudinal current flow. The model is used as a laboratory to study the effects of changing longitudinal gap junctional coupling, and shows the way in which cochlear microphonic spreads and tuning is affected. The process for incorporating mechanical longitudinal coupling and feedback is described. We find a difference in tuning and attenuation depending on whether longitudinal or radial couplings are altered.

Visual analysis of inter-process communication for large-scale parallel computing.

PubMed

Muelder, Chris; Gygi, Francois; Ma, Kwan-Liu

2009-01-01

In serial computation, program profiling is often helpful for optimization of key sections of code. When moving to parallel computation, not only does the code execution need to be considered but also communication between the different processes which can induce delays that are detrimental to performance. As the number of processes increases, so does the impact of the communication delays on performance. For large-scale parallel applications, it is critical to understand how the communication impacts performance in order to make the code more efficient. There are several tools available for visualizing program execution and communications on parallel systems. These tools generally provide either views which statistically summarize the entire program execution or process-centric views. However, process-centric visualizations do not scale well as the number of processes gets very large. In particular, the most common representation of parallel processes is a Gantt char t with a row for each process. As the number of processes increases, these charts can become difficult to work with and can even exceed screen resolution. We propose a new visualization approach that affords more scalability and then demonstrate it on systems running with up to 16,384 processes.

A Science Cloud: OneSpaceNet

NASA Astrophysics Data System (ADS)

Morikawa, Y.; Murata, K. T.; Watari, S.; Kato, H.; Yamamoto, K.; Inoue, S.; Tsubouchi, K.; Fukazawa, K.; Kimura, E.; Tatebe, O.; Shimojo, S.

2010-12-01

Main methodologies of Solar-Terrestrial Physics (STP) so far are theoretical, experimental and observational, and computer simulation approaches. Recently "informatics" is expected as a new (fourth) approach to the STP studies. Informatics is a methodology to analyze large-scale data (observation data and computer simulation data) to obtain new findings using a variety of data processing techniques. At NICT (National Institute of Information and Communications Technology, Japan) we are now developing a new research environment named "OneSpaceNet". The OneSpaceNet is a cloud-computing environment specialized for science works, which connects many researchers with high-speed network (JGN: Japan Gigabit Network). The JGN is a wide-area back-born network operated by NICT; it provides 10G network and many access points (AP) over Japan. The OneSpaceNet also provides with rich computer resources for research studies, such as super-computers, large-scale data storage area, licensed applications, visualization devices (like tiled display wall: TDW), database/DBMS, cluster computers (4-8 nodes) for data processing and communication devices. What is amazing in use of the science cloud is that a user simply prepares a terminal (low-cost PC). Once connecting the PC to JGN2plus, the user can make full use of the rich resources of the science cloud. Using communication devices, such as video-conference system, streaming and reflector servers, and media-players, the users on the OneSpaceNet can make research communications as if they belong to a same (one) laboratory: they are members of a virtual laboratory. The specification of the computer resources on the OneSpaceNet is as follows: The size of data storage we have developed so far is almost 1PB. The number of the data files managed on the cloud storage is getting larger and now more than 40,000,000. What is notable is that the disks forming the large-scale storage are distributed to 5 data centers over Japan (but the storage system performs as one disk). There are three supercomputers allocated on the cloud, one from Tokyo, one from Osaka and the other from Nagoya. One's simulation job data on any supercomputers are saved on the cloud data storage (same directory); it is a kind of virtual computing environment. The tiled display wall has 36 panels acting as one display; the pixel (resolution) size of it is as large as 18000x4300. This size is enough to preview or analyze the large-scale computer simulation data. It also allows us to take a look of multiple (e.g., 100 pictures) on one screen together with many researchers. In our talk we also present a brief report of the initial results using the OneSpaceNet for Global MHD simulations as an example of successful use of our science cloud; (i) Ultra-high time resolution visualization of Global MHD simulations on the large-scale storage and parallel processing system on the cloud, (ii) Database of real-time Global MHD simulation and statistic analyses of the data, and (iii) 3D Web service of Global MHD simulations.

Optical correlator using very-large-scale integrated circuit/ferroelectric-liquid-crystal electrically addressed spatial light modulators

NASA Technical Reports Server (NTRS)

Turner, Richard M.; Jared, David A.; Sharp, Gary D.; Johnson, Kristina M.

1993-01-01

The use of 2-kHz 64 x 64 very-large-scale integrated circuit/ferroelectric-liquid-crystal electrically addressed spatial light modulators as the input and filter planes of a VanderLugt-type optical correlator is discussed. Liquid-crystal layer thickness variations that are present in the devices are analyzed, and the effects on correlator performance are investigated through computer simulations. Experimental results from the very-large-scale-integrated / ferroelectric-liquid-crystal optical-correlator system are presented and are consistent with the level of performance predicted by the simulations.

COLAcode: COmoving Lagrangian Acceleration code

NASA Astrophysics Data System (ADS)

Tassev, Svetlin V.

2016-02-01

COLAcode is a serial particle mesh-based N-body code illustrating the COLA (COmoving Lagrangian Acceleration) method; it solves for Large Scale Structure (LSS) in a frame that is comoving with observers following trajectories calculated in Lagrangian Perturbation Theory (LPT). It differs from standard N-body code by trading accuracy at small-scales to gain computational speed without sacrificing accuracy at large scales. This is useful for generating large ensembles of accurate mock halo catalogs required to study galaxy clustering and weak lensing; such catalogs are needed to perform detailed error analysis for ongoing and future surveys of LSS.

Virtual Computing Laboratories: A Case Study with Comparisons to Physical Computing Laboratories

ERIC Educational Resources Information Center

Burd, Stephen D.; Seazzu, Alessandro F.; Conway, Christopher

2009-01-01

Current technology enables schools to provide remote or virtual computing labs that can be implemented in multiple ways ranging from remote access to banks of dedicated workstations to sophisticated access to large-scale servers hosting virtualized workstations. This paper reports on the implementation of a specific lab using remote access to…

Rainbow: a tool for large-scale whole-genome sequencing data analysis using cloud computing.

PubMed

Zhao, Shanrong; Prenger, Kurt; Smith, Lance; Messina, Thomas; Fan, Hongtao; Jaeger, Edward; Stephens, Susan

2013-06-27

Technical improvements have decreased sequencing costs and, as a result, the size and number of genomic datasets have increased rapidly. Because of the lower cost, large amounts of sequence data are now being produced by small to midsize research groups. Crossbow is a software tool that can detect single nucleotide polymorphisms (SNPs) in whole-genome sequencing (WGS) data from a single subject; however, Crossbow has a number of limitations when applied to multiple subjects from large-scale WGS projects. The data storage and CPU resources that are required for large-scale whole genome sequencing data analyses are too large for many core facilities and individual laboratories to provide. To help meet these challenges, we have developed Rainbow, a cloud-based software package that can assist in the automation of large-scale WGS data analyses. Here, we evaluated the performance of Rainbow by analyzing 44 different whole-genome-sequenced subjects. Rainbow has the capacity to process genomic data from more than 500 subjects in two weeks using cloud computing provided by the Amazon Web Service. The time includes the import and export of the data using Amazon Import/Export service. The average cost of processing a single sample in the cloud was less than 120 US dollars. Compared with Crossbow, the main improvements incorporated into Rainbow include the ability: (1) to handle BAM as well as FASTQ input files; (2) to split large sequence files for better load balance downstream; (3) to log the running metrics in data processing and monitoring multiple Amazon Elastic Compute Cloud (EC2) instances; and (4) to merge SOAPsnp outputs for multiple individuals into a single file to facilitate downstream genome-wide association studies. Rainbow is a scalable, cost-effective, and open-source tool for large-scale WGS data analysis. For human WGS data sequenced by either the Illumina HiSeq 2000 or HiSeq 2500 platforms, Rainbow can be used straight out of the box. Rainbow is available for third-party implementation and use, and can be downloaded from http://s3.amazonaws.com/jnj_rainbow/index.html.

Rainbow: a tool for large-scale whole-genome sequencing data analysis using cloud computing

PubMed Central

2013-01-01

Background Technical improvements have decreased sequencing costs and, as a result, the size and number of genomic datasets have increased rapidly. Because of the lower cost, large amounts of sequence data are now being produced by small to midsize research groups. Crossbow is a software tool that can detect single nucleotide polymorphisms (SNPs) in whole-genome sequencing (WGS) data from a single subject; however, Crossbow has a number of limitations when applied to multiple subjects from large-scale WGS projects. The data storage and CPU resources that are required for large-scale whole genome sequencing data analyses are too large for many core facilities and individual laboratories to provide. To help meet these challenges, we have developed Rainbow, a cloud-based software package that can assist in the automation of large-scale WGS data analyses. Results Here, we evaluated the performance of Rainbow by analyzing 44 different whole-genome-sequenced subjects. Rainbow has the capacity to process genomic data from more than 500 subjects in two weeks using cloud computing provided by the Amazon Web Service. The time includes the import and export of the data using Amazon Import/Export service. The average cost of processing a single sample in the cloud was less than 120 US dollars. Compared with Crossbow, the main improvements incorporated into Rainbow include the ability: (1) to handle BAM as well as FASTQ input files; (2) to split large sequence files for better load balance downstream; (3) to log the running metrics in data processing and monitoring multiple Amazon Elastic Compute Cloud (EC2) instances; and (4) to merge SOAPsnp outputs for multiple individuals into a single file to facilitate downstream genome-wide association studies. Conclusions Rainbow is a scalable, cost-effective, and open-source tool for large-scale WGS data analysis. For human WGS data sequenced by either the Illumina HiSeq 2000 or HiSeq 2500 platforms, Rainbow can be used straight out of the box. Rainbow is available for third-party implementation and use, and can be downloaded from http://s3.amazonaws.com/jnj_rainbow/index.html. PMID:23802613

Investigation of low-latitude hydrogen emission in terms of a two-component interstellar gas model

NASA Technical Reports Server (NTRS)

Baker, P. L.; Burton, W. B.

1975-01-01

High-resolution 21-cm hydrogen line observations at low galactic latitude are analyzed to determine the large-scale distribution of galactic hydrogen. Distribution parameters are found by model fitting, optical depth effects are computed using a two-component gas model suggested by the observations, and calculations are made for a one-component uniform spin-temperature gas model to show the systematic departures between this model and data obtained by incorrect treatment of the optical depth effects. Synthetic 21-cm line profiles are computed from the two-component model, and the large-scale trends of the observed emission profiles are reproduced together with the magnitude of the small-scale emission irregularities. Values are determined for the thickness of the galactic hydrogen disk between half density points, the total observed neutral hydrogen mass of the galaxy, and the central number density of the intercloud hydrogen atoms. It is shown that typical hydrogen clouds must be between 1 and 13 pc in diameter and that optical thinness exists on large-scale despite the presence of optically thin gas.

A characterization of workflow management systems for extreme-scale applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferreira da Silva, Rafael; Filgueira, Rosa; Pietri, Ilia

We present that the automation of the execution of computational tasks is at the heart of improving scientific productivity. Over the last years, scientific workflows have been established as an important abstraction that captures data processing and computation of large and complex scientific applications. By allowing scientists to model and express entire data processing steps and their dependencies, workflow management systems relieve scientists from the details of an application and manage its execution on a computational infrastructure. As the resource requirements of today’s computational and data science applications that process vast amounts of data keep increasing, there is a compellingmore » case for a new generation of advances in high-performance computing, commonly termed as extreme-scale computing, which will bring forth multiple challenges for the design of workflow applications and management systems. This paper presents a novel characterization of workflow management systems using features commonly associated with extreme-scale computing applications. We classify 15 popular workflow management systems in terms of workflow execution models, heterogeneous computing environments, and data access methods. Finally, the paper also surveys workflow applications and identifies gaps for future research on the road to extreme-scale workflows and management systems.« less

A characterization of workflow management systems for extreme-scale applications

DOE PAGES

Ferreira da Silva, Rafael; Filgueira, Rosa; Pietri, Ilia; ...

2017-02-16

We present that the automation of the execution of computational tasks is at the heart of improving scientific productivity. Over the last years, scientific workflows have been established as an important abstraction that captures data processing and computation of large and complex scientific applications. By allowing scientists to model and express entire data processing steps and their dependencies, workflow management systems relieve scientists from the details of an application and manage its execution on a computational infrastructure. As the resource requirements of today’s computational and data science applications that process vast amounts of data keep increasing, there is a compellingmore » case for a new generation of advances in high-performance computing, commonly termed as extreme-scale computing, which will bring forth multiple challenges for the design of workflow applications and management systems. This paper presents a novel characterization of workflow management systems using features commonly associated with extreme-scale computing applications. We classify 15 popular workflow management systems in terms of workflow execution models, heterogeneous computing environments, and data access methods. Finally, the paper also surveys workflow applications and identifies gaps for future research on the road to extreme-scale workflows and management systems.« less

Portable parallel stochastic optimization for the design of aeropropulsion components

NASA Technical Reports Server (NTRS)

Sues, Robert H.; Rhodes, G. S.

1994-01-01

This report presents the results of Phase 1 research to develop a methodology for performing large-scale Multi-disciplinary Stochastic Optimization (MSO) for the design of aerospace systems ranging from aeropropulsion components to complete aircraft configurations. The current research recognizes that such design optimization problems are computationally expensive, and require the use of either massively parallel or multiple-processor computers. The methodology also recognizes that many operational and performance parameters are uncertain, and that uncertainty must be considered explicitly to achieve optimum performance and cost. The objective of this Phase 1 research was to initialize the development of an MSO methodology that is portable to a wide variety of hardware platforms, while achieving efficient, large-scale parallelism when multiple processors are available. The first effort in the project was a literature review of available computer hardware, as well as review of portable, parallel programming environments. The first effort was to implement the MSO methodology for a problem using the portable parallel programming language, Parallel Virtual Machine (PVM). The third and final effort was to demonstrate the example on a variety of computers, including a distributed-memory multiprocessor, a distributed-memory network of workstations, and a single-processor workstation. Results indicate the MSO methodology can be well-applied towards large-scale aerospace design problems. Nearly perfect linear speedup was demonstrated for computation of optimization sensitivity coefficients on both a 128-node distributed-memory multiprocessor (the Intel iPSC/860) and a network of workstations (speedups of almost 19 times achieved for 20 workstations). Very high parallel efficiencies (75 percent for 31 processors and 60 percent for 50 processors) were also achieved for computation of aerodynamic influence coefficients on the Intel. Finally, the multi-level parallelization strategy that will be needed for large-scale MSO problems was demonstrated to be highly efficient. The same parallel code instructions were used on both platforms, demonstrating portability. There are many applications for which MSO can be applied, including NASA's High-Speed-Civil Transport, and advanced propulsion systems. The use of MSO will reduce design and development time and testing costs dramatically.

WISDOM-II: screening against multiple targets implicated in malaria using computational grid infrastructures.

PubMed

Kasam, Vinod; Salzemann, Jean; Botha, Marli; Dacosta, Ana; Degliesposti, Gianluca; Isea, Raul; Kim, Doman; Maass, Astrid; Kenyon, Colin; Rastelli, Giulio; Hofmann-Apitius, Martin; Breton, Vincent

2009-05-01

Despite continuous efforts of the international community to reduce the impact of malaria on developing countries, no significant progress has been made in the recent years and the discovery of new drugs is more than ever needed. Out of the many proteins involved in the metabolic activities of the Plasmodium parasite, some are promising targets to carry out rational drug discovery. Recent years have witnessed the emergence of grids, which are highly distributed computing infrastructures particularly well fitted for embarrassingly parallel computations like docking. In 2005, a first attempt at using grids for large-scale virtual screening focused on plasmepsins and ended up in the identification of previously unknown scaffolds, which were confirmed in vitro to be active plasmepsin inhibitors. Following this success, a second deployment took place in the fall of 2006 focussing on one well known target, dihydrofolate reductase (DHFR), and on a new promising one, glutathione-S-transferase. In silico drug design, especially vHTS is a widely and well-accepted technology in lead identification and lead optimization. This approach, therefore builds, upon the progress made in computational chemistry to achieve more accurate in silico docking and in information technology to design and operate large scale grid infrastructures. On the computational side, a sustained infrastructure has been developed: docking at large scale, using different strategies in result analysis, storing of the results on the fly into MySQL databases and application of molecular dynamics refinement are MM-PBSA and MM-GBSA rescoring. The modeling results obtained are very promising. Based on the modeling results, In vitro results are underway for all the targets against which screening is performed. The current paper describes the rational drug discovery activity at large scale, especially molecular docking using FlexX software on computational grids in finding hits against three different targets (PfGST, PfDHFR, PvDHFR (wild type and mutant forms) implicated in malaria. Grid-enabled virtual screening approach is proposed to produce focus compound libraries for other biological targets relevant to fight the infectious diseases of the developing world.

Multi-source Geospatial Data Analysis with Google Earth Engine

NASA Astrophysics Data System (ADS)

Erickson, T.

2014-12-01

The Google Earth Engine platform is a cloud computing environment for data analysis that combines a public data catalog with a large-scale computational facility optimized for parallel processing of geospatial data. The data catalog is a multi-petabyte archive of georeferenced datasets that include images from Earth observing satellite and airborne sensors (examples: USGS Landsat, NASA MODIS, USDA NAIP), weather and climate datasets, and digital elevation models. Earth Engine supports both a just-in-time computation model that enables real-time preview and debugging during algorithm development for open-ended data exploration, and a batch computation mode for applying algorithms over large spatial and temporal extents. The platform automatically handles many traditionally-onerous data management tasks, such as data format conversion, reprojection, and resampling, which facilitates writing algorithms that combine data from multiple sensors and/or models. Although the primary use of Earth Engine, to date, has been the analysis of large Earth observing satellite datasets, the computational platform is generally applicable to a wide variety of use cases that require large-scale geospatial data analyses. This presentation will focus on how Earth Engine facilitates the analysis of geospatial data streams that originate from multiple separate sources (and often communities) and how it enables collaboration during algorithm development and data exploration. The talk will highlight current projects/analyses that are enabled by this functionality.https://earthengine.google.org

Memory reduction through higher level language hardware

NASA Technical Reports Server (NTRS)

Kerner, H.; Gellman, L.

1972-01-01

Application of large scale integration in computers to reduce size and manufacturing costs and to produce improvements in logic function is discussed. Use of FORTRAN 4 as computer language for this purpose is described. Effectiveness of method in storing information is illustrated.

A Priori Subgrid Analysis of Temporal Mixing Layers with Evaporating Droplets

NASA Technical Reports Server (NTRS)

Okongo, Nora; Bellan, Josette

1999-01-01

Subgrid analysis of a transitional temporal mixing layer with evaporating droplets has been performed using three sets of results from a Direct Numerical Simulation (DNS) database, with Reynolds numbers (based on initial vorticity thickness) as large as 600 and with droplet mass loadings as large as 0.5. In the DNS, the gas phase is computed using a Eulerian formulation, with Lagrangian droplet tracking. The Large Eddy Simulation (LES) equations corresponding to the DNS are first derived, and key assumptions in deriving them are first confirmed by computing the terms using the DNS database. Since LES of this flow requires the computation of unfiltered gas-phase variables at droplet locations from filtered gas-phase variables at the grid points, it is proposed to model these by assuming the gas-phase variables to be the sum of the filtered variables and a correction based on the filtered standard deviation; this correction is then computed from the Subgrid Scale (SGS) standard deviation. This model predicts the unfiltered variables at droplet locations considerably better than simply interpolating the filtered variables. Three methods are investigated for modeling the SGS standard deviation: the Smagorinsky approach, the Gradient model and the Scale-Similarity formulation. When the proportionality constant inherent in the SGS models is properly calculated, the Gradient and Scale-Similarity methods give results in excellent agreement with the DNS.

Large-Eddy Simulation of Internal Flow through Human Vocal Folds

NASA Astrophysics Data System (ADS)

Lasota, Martin; Šidlof, Petr

2018-06-01

The phonatory process occurs when air is expelled from the lungs through the glottis and the pressure drop causes flow-induced oscillations of the vocal folds. The flow fields created in phonation are highly unsteady and the coherent vortex structures are also generated. For accuracy it is essential to compute on humanlike computational domain and appropriate mathematical model. The work deals with numerical simulation of air flow within the space between plicae vocales and plicae vestibulares. In addition to the dynamic width of the rima glottidis, where the sound is generated, there are lateral ventriculus laryngis and sacculus laryngis included in the computational domain as well. The paper presents the results from OpenFOAM which are obtained with a large-eddy simulation using second-order finite volume discretization of incompressible Navier-Stokes equations. Large-eddy simulations with different subgrid scale models are executed on structured mesh. In these cases are used only the subgrid scale models which model turbulence via turbulent viscosity and Boussinesq approximation in subglottal and supraglottal area in larynx.

GISpark: A Geospatial Distributed Computing Platform for Spatiotemporal Big Data

NASA Astrophysics Data System (ADS)

Wang, S.; Zhong, E.; Wang, E.; Zhong, Y.; Cai, W.; Li, S.; Gao, S.

2016-12-01

Geospatial data are growing exponentially because of the proliferation of cost effective and ubiquitous positioning technologies such as global remote-sensing satellites and location-based devices. Analyzing large amounts of geospatial data can provide great value for both industrial and scientific applications. Data- and compute- intensive characteristics inherent in geospatial big data increasingly pose great challenges to technologies of data storing, computing and analyzing. Such challenges require a scalable and efficient architecture that can store, query, analyze, and visualize large-scale spatiotemporal data. Therefore, we developed GISpark - a geospatial distributed computing platform for processing large-scale vector, raster and stream data. GISpark is constructed based on the latest virtualized computing infrastructures and distributed computing architecture. OpenStack and Docker are used to build multi-user hosting cloud computing infrastructure for GISpark. The virtual storage systems such as HDFS, Ceph, MongoDB are combined and adopted for spatiotemporal data storage management. Spark-based algorithm framework is developed for efficient parallel computing. Within this framework, SuperMap GIScript and various open-source GIS libraries can be integrated into GISpark. GISpark can also integrated with scientific computing environment (e.g., Anaconda), interactive computing web applications (e.g., Jupyter notebook), and machine learning tools (e.g., TensorFlow/Orange). The associated geospatial facilities of GISpark in conjunction with the scientific computing environment, exploratory spatial data analysis tools, temporal data management and analysis systems make up a powerful geospatial computing tool. GISpark not only provides spatiotemporal big data processing capacity in the geospatial field, but also provides spatiotemporal computational model and advanced geospatial visualization tools that deals with other domains related with spatial property. We tested the performance of the platform based on taxi trajectory analysis. Results suggested that GISpark achieves excellent run time performance in spatiotemporal big data applications.

Measuring large scale space perception in literary texts

NASA Astrophysics Data System (ADS)

Rossi, Paolo

2007-07-01

A center and radius of “perception” (in the sense of environmental cognition) can be formally associated with a written text and operationally defined. Simple algorithms for their computation are presented, and indicators for anisotropy in large scale space perception are introduced. The relevance of these notions for the analysis of literary and historical records is briefly discussed and illustrated with an example taken from medieval historiography.

A Large-Scale Blended and Flipped Class: Class Design and Investigation of Factors Influencing Students' Intention to Learn

ERIC Educational Resources Information Center

Zhang, Yulei; Dang, Yan; Amer, Beverly

2016-01-01

This paper reports a study of a large-scale blended and flipped class and has two major parts. First, it presents the design of the class, i.e., a coordinated and multisection undergraduate introduction-to-computer-information-systems course. The detailed design of various teaching methods used in the class is presented, including a digital…

Nuclear Lessons for Cyber Security

DTIC Science & Technology

2011-01-01

major kinetic violence. In the physical world, governments have a near monopoly on large - scale use of force, the defender has an intimate knowledge of...with this transformative technology. Until now, the issue of cyber security has largely been the domain of computer experts and specialists. When the...with increasing economic returns to scale and political practices that make jurisdictional control difficult. Attacks from the informational realm

Evaluation of nucleus segmentation in digital pathology images through large scale image synthesis

NASA Astrophysics Data System (ADS)

Zhou, Naiyun; Yu, Xiaxia; Zhao, Tianhao; Wen, Si; Wang, Fusheng; Zhu, Wei; Kurc, Tahsin; Tannenbaum, Allen; Saltz, Joel; Gao, Yi

2017-03-01

Digital histopathology images with more than 1 Gigapixel are drawing more and more attention in clinical, biomedical research, and computer vision fields. Among the multiple observable features spanning multiple scales in the pathology images, the nuclear morphology is one of the central criteria for diagnosis and grading. As a result it is also the mostly studied target in image computing. Large amount of research papers have devoted to the problem of extracting nuclei from digital pathology images, which is the foundation of any further correlation study. However, the validation and evaluation of nucleus extraction have yet been formulated rigorously and systematically. Some researches report a human verified segmentation with thousands of nuclei, whereas a single whole slide image may contain up to million. The main obstacle lies in the difficulty of obtaining such a large number of validated nuclei, which is essentially an impossible task for pathologist. We propose a systematic validation and evaluation approach based on large scale image synthesis. This could facilitate a more quantitatively validated study for current and future histopathology image analysis field.

Large-scale image region documentation for fully automated image biomarker algorithm development and evaluation.

PubMed

Reeves, Anthony P; Xie, Yiting; Liu, Shuang

2017-04-01

With the advent of fully automated image analysis and modern machine learning methods, there is a need for very large image datasets having documented segmentations for both computer algorithm training and evaluation. This paper presents a method and implementation for facilitating such datasets that addresses the critical issue of size scaling for algorithm validation and evaluation; current evaluation methods that are usually used in academic studies do not scale to large datasets. This method includes protocols for the documentation of many regions in very large image datasets; the documentation may be incrementally updated by new image data and by improved algorithm outcomes. This method has been used for 5 years in the context of chest health biomarkers from low-dose chest CT images that are now being used with increasing frequency in lung cancer screening practice. The lung scans are segmented into over 100 different anatomical regions, and the method has been applied to a dataset of over 20,000 chest CT images. Using this framework, the computer algorithms have been developed to achieve over 90% acceptable image segmentation on the complete dataset.

Two-Level Chebyshev Filter Based Complementary Subspace Method: Pushing the Envelope of Large-Scale Electronic Structure Calculations.

PubMed

Banerjee, Amartya S; Lin, Lin; Suryanarayana, Phanish; Yang, Chao; Pask, John E

2018-06-12

We describe a novel iterative strategy for Kohn-Sham density functional theory calculations aimed at large systems (>1,000 electrons), applicable to metals and insulators alike. In lieu of explicit diagonalization of the Kohn-Sham Hamiltonian on every self-consistent field (SCF) iteration, we employ a two-level Chebyshev polynomial filter based complementary subspace strategy to (1) compute a set of vectors that span the occupied subspace of the Hamiltonian; (2) reduce subspace diagonalization to just partially occupied states; and (3) obtain those states in an efficient, scalable manner via an inner Chebyshev filter iteration. By reducing the necessary computation to just partially occupied states and obtaining these through an inner Chebyshev iteration, our approach reduces the cost of large metallic calculations significantly, while eliminating subspace diagonalization for insulating systems altogether. We describe the implementation of the method within the framework of the discontinuous Galerkin (DG) electronic structure method and show that this results in a computational scheme that can effectively tackle bulk and nano systems containing tens of thousands of electrons, with chemical accuracy, within a few minutes or less of wall clock time per SCF iteration on large-scale computing platforms. We anticipate that our method will be instrumental in pushing the envelope of large-scale ab initio molecular dynamics. As a demonstration of this, we simulate a bulk silicon system containing 8,000 atoms at finite temperature, and obtain an average SCF step wall time of 51 s on 34,560 processors; thus allowing us to carry out 1.0 ps of ab initio molecular dynamics in approximately 28 h (of wall time).

Scalable Analysis Methods and In Situ Infrastructure for Extreme Scale Knowledge Discovery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bethel, Wes

2016-07-24

The primary challenge motivating this team’s work is the widening gap between the ability to compute information and to store it for subsequent analysis. This gap adversely impacts science code teams, who are able to perform analysis only on a small fraction of the data they compute, resulting in the very real likelihood of lost or missed science, when results are computed but not analyzed. Our approach is to perform as much analysis or visualization processing on data while it is still resident in memory, an approach that is known as in situ processing. The idea in situ processing wasmore » not new at the time of the start of this effort in 2014, but efforts in that space were largely ad hoc, and there was no concerted effort within the research community that aimed to foster production-quality software tools suitable for use by DOE science projects. In large, our objective was produce and enable use of production-quality in situ methods and infrastructure, at scale, on DOE HPC facilities, though we expected to have impact beyond DOE due to the widespread nature of the challenges, which affect virtually all large-scale computational science efforts. To achieve that objective, we assembled a unique team of researchers consisting of representatives from DOE national laboratories, academia, and industry, and engaged in software technology R&D, as well as engaged in close partnerships with DOE science code teams, to produce software technologies that were shown to run effectively at scale on DOE HPC platforms.« less

Computational biology in the cloud: methods and new insights from computing at scale.

PubMed

Kasson, Peter M

2013-01-01

The past few years have seen both explosions in the size of biological data sets and the proliferation of new, highly flexible on-demand computing capabilities. The sheer amount of information available from genomic and metagenomic sequencing, high-throughput proteomics, experimental and simulation datasets on molecular structure and dynamics affords an opportunity for greatly expanded insight, but it creates new challenges of scale for computation, storage, and interpretation of petascale data. Cloud computing resources have the potential to help solve these problems by offering a utility model of computing and storage: near-unlimited capacity, the ability to burst usage, and cheap and flexible payment models. Effective use of cloud computing on large biological datasets requires dealing with non-trivial problems of scale and robustness, since performance-limiting factors can change substantially when a dataset grows by a factor of 10,000 or more. New computing paradigms are thus often needed. The use of cloud platforms also creates new opportunities to share data, reduce duplication, and to provide easy reproducibility by making the datasets and computational methods easily available.

Large-eddy simulation of a boundary layer with concave streamwise curvature

NASA Technical Reports Server (NTRS)

Lund, Thomas S.

1994-01-01

Turbulence modeling continues to be one of the most difficult problems in fluid mechanics. Existing prediction methods are well developed for certain classes of simple equilibrium flows, but are still not entirely satisfactory for a large category of complex non-equilibrium flows found in engineering practice. Direct and large-eddy simulation (LES) approaches have long been believed to have great potential for the accurate prediction of difficult turbulent flows, but the associated computational cost has been prohibitive for practical problems. This remains true for direct simulation but is no longer clear for large-eddy simulation. Advances in computer hardware, numerical methods, and subgrid-scale modeling have made it possible to conduct LES for flows or practical interest at Reynolds numbers in the range of laboratory experiments. The objective of this work is to apply ES and the dynamic subgrid-scale model to the flow of a boundary layer over a concave surface.

Planetary-Scale Geospatial Data Analysis Techniques in Google's Earth Engine Platform (Invited)

NASA Astrophysics Data System (ADS)

Hancher, M.

2013-12-01

Geoscientists have more and more access to new tools for large-scale computing. With any tool, some tasks are easy and other tasks hard. It is natural to look to new computing platforms to increase the scale and efficiency of existing techniques, but there is a more exiting opportunity to discover and develop a new vocabulary of fundamental analysis idioms that are made easy and effective by these new tools. Google's Earth Engine platform is a cloud computing environment for earth data analysis that combines a public data catalog with a large-scale computational facility optimized for parallel processing of geospatial data. The data catalog includes a nearly complete archive of scenes from Landsat 4, 5, 7, and 8 that have been processed by the USGS, as well as a wide variety of other remotely-sensed and ancillary data products. Earth Engine supports a just-in-time computation model that enables real-time preview during algorithm development and debugging as well as during experimental data analysis and open-ended data exploration. Data processing operations are performed in parallel across many computers in Google's datacenters. The platform automatically handles many traditionally-onerous data management tasks, such as data format conversion, reprojection, resampling, and associating image metadata with pixel data. Early applications of Earth Engine have included the development of Google's global cloud-free fifteen-meter base map and global multi-decadal time-lapse animations, as well as numerous large and small experimental analyses by scientists from a range of academic, government, and non-governmental institutions, working in a wide variety of application areas including forestry, agriculture, urban mapping, and species habitat modeling. Patterns in the successes and failures of these early efforts have begun to emerge, sketching the outlines of a new set of simple and effective approaches to geospatial data analysis.

Ordering Unstructured Meshes for Sparse Matrix Computations on Leading Parallel Systems

NASA Technical Reports Server (NTRS)

Oliker, Leonid; Li, Xiaoye; Heber, Gerd; Biswas, Rupak

2000-01-01

The ability of computers to solve hitherto intractable problems and simulate complex processes using mathematical models makes them an indispensable part of modern science and engineering. Computer simulations of large-scale realistic applications usually require solving a set of non-linear partial differential equations (PDES) over a finite region. For example, one thrust area in the DOE Grand Challenge projects is to design future accelerators such as the SpaHation Neutron Source (SNS). Our colleagues at SLAC need to model complex RFQ cavities with large aspect ratios. Unstructured grids are currently used to resolve the small features in a large computational domain; dynamic mesh adaptation will be added in the future for additional efficiency. The PDEs for electromagnetics are discretized by the FEM method, which leads to a generalized eigenvalue problem Kx = AMx, where K and M are the stiffness and mass matrices, and are very sparse. In a typical cavity model, the number of degrees of freedom is about one million. For such large eigenproblems, direct solution techniques quickly reach the memory limits. Instead, the most widely-used methods are Krylov subspace methods, such as Lanczos or Jacobi-Davidson. In all the Krylov-based algorithms, sparse matrix-vector multiplication (SPMV) must be performed repeatedly. Therefore, the efficiency of SPMV usually determines the eigensolver speed. SPMV is also one of the most heavily used kernels in large-scale numerical simulations.

Design Sketches For Optical Crossbar Switches Intended For Large-Scale Parallel Processing Applications

NASA Astrophysics Data System (ADS)

Hartmann, Alfred; Redfield, Steve

1989-04-01

This paper discusses design of large-scale (1000x 1000) optical crossbar switching networks for use in parallel processing supercom-puters. Alternative design sketches for an optical crossbar switching network are presented using free-space optical transmission with either a beam spreading/masking model or a beam steering model for internodal communications. The performances of alternative multiple access channel communications protocol-unslotted and slotted ALOHA and carrier sense multiple access (CSMA)-are compared with the performance of the classic arbitrated bus crossbar of conventional electronic parallel computing. These comparisons indicate an almost inverse relationship between ease of implementation and speed of operation. Practical issues of optical system design are addressed, and an optically addressed, composite spatial light modulator design is presented for fabrication to arbitrarily large scale. The wide range of switch architecture, communications protocol, optical systems design, device fabrication, and system performance problems presented by these design sketches poses a serious challenge to practical exploitation of highly parallel optical interconnects in advanced computer designs.

Scalable Automated Model Search

DTIC Science & Technology

2014-05-20

ma- chines. Categories and Subject Descriptors Big Data [Distributed Computing]: Large scale optimization 1. INTRODUCTION Modern scientific and...from Continuum Analytics[1], and Apache Spark 0.8.1. Additionally, we made use of Hadoop 1.0.4 configured on local disks as our data store for the large...Borkar et al. Hyracks: A flexible and extensible foundation for data -intensive computing. In ICDE, 2011. [16] J. Canny and H. Zhao. Big data

Cognitive Model Exploration and Optimization: A New Challenge for Computational Science

DTIC Science & Technology

2010-01-01

Introduction Research in cognitive science often involves the generation and analysis of computational cognitive models to explain various...HPC) clusters and volunteer computing for large-scale computational resources. The majority of applications on the Department of Defense HPC... clusters focus on solving partial differential equations (Post, 2009). These tend to be lean, fast models with little noise. While we lack specific

Sand waves in environmental flows: Insights gained by coupling large-eddy simulation with morphodynamics

NASA Astrophysics Data System (ADS)

Sotiropoulos, Fotis; Khosronejad, Ali

2016-02-01

Sand waves arise in subaqueous and Aeolian environments as the result of the complex interaction between turbulent flows and mobile sand beds. They occur across a wide range of spatial scales, evolve at temporal scales much slower than the integral scale of the transporting turbulent flow, dominate river morphodynamics, undermine streambank stability and infrastructure during flooding, and sculpt terrestrial and extraterrestrial landscapes. In this paper, we present the vision for our work over the last ten years, which has sought to develop computational tools capable of simulating the coupled interactions of sand waves with turbulence across the broad range of relevant scales: from small-scale ripples in laboratory flumes to mega-dunes in large rivers. We review the computational advances that have enabled us to simulate the genesis and long-term evolution of arbitrarily large and complex sand dunes in turbulent flows using large-eddy simulation and summarize numerous novel physical insights derived from our simulations. Our findings explain the role of turbulent sweeps in the near-bed region as the primary mechanism for destabilizing the sand bed, show that the seeds of the emergent structure in dune fields lie in the heterogeneity of the turbulence and bed shear stress fluctuations over the initially flatbed, and elucidate how large dunes at equilibrium give rise to energetic coherent structures and modify the spectra of turbulence. We also discuss future challenges and our vision for advancing a data-driven simulation-based engineering science approach for site-specific simulations of river flooding.

GATECloud.net: a platform for large-scale, open-source text processing on the cloud.

PubMed

Tablan, Valentin; Roberts, Ian; Cunningham, Hamish; Bontcheva, Kalina

2013-01-28

Cloud computing is increasingly being regarded as a key enabler of the 'democratization of science', because on-demand, highly scalable cloud computing facilities enable researchers anywhere to carry out data-intensive experiments. In the context of natural language processing (NLP), algorithms tend to be complex, which makes their parallelization and deployment on cloud platforms a non-trivial task. This study presents a new, unique, cloud-based platform for large-scale NLP research--GATECloud. net. It enables researchers to carry out data-intensive NLP experiments by harnessing the vast, on-demand compute power of the Amazon cloud. Important infrastructural issues are dealt with by the platform, completely transparently for the researcher: load balancing, efficient data upload and storage, deployment on the virtual machines, security and fault tolerance. We also include a cost-benefit analysis and usage evaluation.

Large-scale computations in fluid mechanics; Proceedings of the Fifteenth Summer Seminar on Applied Mathematics, University of California, La Jolla, CA, June 27-July 8, 1983. Parts 1 & 2

NASA Technical Reports Server (NTRS)

Engquist, B. E. (Editor); Osher, S. (Editor); Somerville, R. C. J. (Editor)

1985-01-01

Papers are presented on such topics as the use of semi-Lagrangian advective schemes in meteorological modeling; computation with high-resolution upwind schemes for hyperbolic equations; dynamics of flame propagation in a turbulent field; a modified finite element method for solving the incompressible Navier-Stokes equations; computational fusion magnetohydrodynamics; and a nonoscillatory shock capturing scheme using flux-limited dissipation. Consideration is also given to the use of spectral techniques in numerical weather prediction; numerical methods for the incorporation of mountains in atmospheric models; techniques for the numerical simulation of large-scale eddies in geophysical fluid dynamics; high-resolution TVD schemes using flux limiters; upwind-difference methods for aerodynamic problems governed by the Euler equations; and an MHD model of the earth's magnetosphere.

A Review of High-Performance Computational Strategies for Modeling and Imaging of Electromagnetic Induction Data

NASA Astrophysics Data System (ADS)

Newman, Gregory A.

2014-01-01

Many geoscientific applications exploit electrostatic and electromagnetic fields to interrogate and map subsurface electrical resistivity—an important geophysical attribute for characterizing mineral, energy, and water resources. In complex three-dimensional geologies, where many of these resources remain to be found, resistivity mapping requires large-scale modeling and imaging capabilities, as well as the ability to treat significant data volumes, which can easily overwhelm single-core and modest multicore computing hardware. To treat such problems requires large-scale parallel computational resources, necessary for reducing the time to solution to a time frame acceptable to the exploration process. The recognition that significant parallel computing processes must be brought to bear on these problems gives rise to choices that must be made in parallel computing hardware and software. In this review, some of these choices are presented, along with the resulting trade-offs. We also discuss future trends in high-performance computing and the anticipated impact on electromagnetic (EM) geophysics. Topics discussed in this review article include a survey of parallel computing platforms, graphics processing units to multicore CPUs with a fast interconnect, along with effective parallel solvers and associated solver libraries effective for inductive EM modeling and imaging.

Computer-aided design of large-scale integrated circuits - A concept

NASA Technical Reports Server (NTRS)

Schansman, T. T.

1971-01-01

Circuit design and mask development sequence are improved by using general purpose computer with interactive graphics capability establishing efficient two way communications link between design engineer and system. Interactive graphics capability places design engineer in direct control of circuit development.

Performance of parallel computation using CUDA for solving the one-dimensional elasticity equations

NASA Astrophysics Data System (ADS)

Darmawan, J. B. B.; Mungkasi, S.

2017-01-01

In this paper, we investigate the performance of parallel computation in solving the one-dimensional elasticity equations. Elasticity equations are usually implemented in engineering science. Solving these equations fast and efficiently is desired. Therefore, we propose the use of parallel computation. Our parallel computation uses CUDA of the NVIDIA. Our research results show that parallel computation using CUDA has a great advantage and is powerful when the computation is of large scale.

Wall Modeled Large Eddy Simulation of Airfoil Trailing Edge Noise

NASA Astrophysics Data System (ADS)

Kocheemoolayil, Joseph; Lele, Sanjiva

2014-11-01

Large eddy simulation (LES) of airfoil trailing edge noise has largely been restricted to low Reynolds numbers due to prohibitive computational cost. Wall modeled LES (WMLES) is a computationally cheaper alternative that makes full-scale Reynolds numbers relevant to large wind turbines accessible. A systematic investigation of trailing edge noise prediction using WMLES is conducted. Detailed comparisons are made with experimental data. The stress boundary condition from a wall model does not constrain the fluctuating velocity to vanish at the wall. This limitation has profound implications for trailing edge noise prediction. The simulation over-predicts the intensity of fluctuating wall pressure and far-field noise. An improved wall model formulation that minimizes the over-prediction of fluctuating wall pressure is proposed and carefully validated. The flow configurations chosen for the study are from the workshop on benchmark problems for airframe noise computations. The large eddy simulation database is used to examine the adequacy of scaling laws that quantify the dependence of trailing edge noise on Mach number, Reynolds number and angle of attack. Simplifying assumptions invoked in engineering approaches towards predicting trailing edge noise are critically evaluated. We gratefully acknowledge financial support from GE Global Research and thank Cascade Technologies Inc. for providing access to their massively-parallel large eddy simulation framework.

Classical boson sampling algorithms with superior performance to near-term experiments

NASA Astrophysics Data System (ADS)

Neville, Alex; Sparrow, Chris; Clifford, Raphaël; Johnston, Eric; Birchall, Patrick M.; Montanaro, Ashley; Laing, Anthony

2017-12-01

It is predicted that quantum computers will dramatically outperform their conventional counterparts. However, large-scale universal quantum computers are yet to be built. Boson sampling is a rudimentary quantum algorithm tailored to the platform of linear optics, which has sparked interest as a rapid way to demonstrate such quantum supremacy. Photon statistics are governed by intractable matrix functions, which suggests that sampling from the distribution obtained by injecting photons into a linear optical network could be solved more quickly by a photonic experiment than by a classical computer. The apparently low resource requirements for large boson sampling experiments have raised expectations of a near-term demonstration of quantum supremacy by boson sampling. Here we present classical boson sampling algorithms and theoretical analyses of prospects for scaling boson sampling experiments, showing that near-term quantum supremacy via boson sampling is unlikely. Our classical algorithm, based on Metropolised independence sampling, allowed the boson sampling problem to be solved for 30 photons with standard computing hardware. Compared to current experiments, a demonstration of quantum supremacy over a successful implementation of these classical methods on a supercomputer would require the number of photons and experimental components to increase by orders of magnitude, while tackling exponentially scaling photon loss.

Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS

NASA Astrophysics Data System (ADS)

Pavia, F.; Curtin, W. A.

2015-07-01

Deformation and fracture processes in engineering materials often require simultaneous descriptions over a range of length and time scales, with each scale using a different computational technique. Here we present a high-performance parallel 3D computing framework for executing large multiscale studies that couple an atomic domain, modeled using molecular dynamics and a continuum domain, modeled using explicit finite elements. We use the robust Coupled Atomistic/Discrete-Dislocation (CADD) displacement-coupling method, but without the transfer of dislocations between atoms and continuum. The main purpose of the work is to provide a multiscale implementation within an existing large-scale parallel molecular dynamics code (LAMMPS) that enables use of all the tools associated with this popular open-source code, while extending CADD-type coupling to 3D. Validation of the implementation includes the demonstration of (i) stability in finite-temperature dynamics using Langevin dynamics, (ii) elimination of wave reflections due to large dynamic events occurring in the MD region and (iii) the absence of spurious forces acting on dislocations due to the MD/FE coupling, for dislocations further than 10 Å from the coupling boundary. A first non-trivial example application of dislocation glide and bowing around obstacles is shown, for dislocation lengths of ∼50 nm using fewer than 1 000 000 atoms but reproducing results of extremely large atomistic simulations at much lower computational cost.

Large-scale retrieval for medical image analytics: A comprehensive review.

PubMed

Li, Zhongyu; Zhang, Xiaofan; Müller, Henning; Zhang, Shaoting

2018-01-01

Over the past decades, medical image analytics was greatly facilitated by the explosion of digital imaging techniques, where huge amounts of medical images were produced with ever-increasing quality and diversity. However, conventional methods for analyzing medical images have achieved limited success, as they are not capable to tackle the huge amount of image data. In this paper, we review state-of-the-art approaches for large-scale medical image analysis, which are mainly based on recent advances in computer vision, machine learning and information retrieval. Specifically, we first present the general pipeline of large-scale retrieval, summarize the challenges/opportunities of medical image analytics on a large-scale. Then, we provide a comprehensive review of algorithms and techniques relevant to major processes in the pipeline, including feature representation, feature indexing, searching, etc. On the basis of existing work, we introduce the evaluation protocols and multiple applications of large-scale medical image retrieval, with a variety of exploratory and diagnostic scenarios. Finally, we discuss future directions of large-scale retrieval, which can further improve the performance of medical image analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

Computer-generated forces in distributed interactive simulation

NASA Astrophysics Data System (ADS)

Petty, Mikel D.

1995-04-01

Distributed Interactive Simulation (DIS) is an architecture for building large-scale simulation models from a set of independent simulator nodes communicating via a common network protocol. DIS is most often used to create a simulated battlefield for military training. Computer Generated Forces (CGF) systems control large numbers of autonomous battlefield entities in a DIS simulation using computer equipment and software rather than humans in simulators. CGF entities serve as both enemy forces and supplemental friendly forces in a DIS exercise. Research into various aspects of CGF systems is ongoing. Several CGF systems have been implemented.

An S N Algorithm for Modern Architectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, Randal Scott

2016-08-29

LANL discrete ordinates transport packages are required to perform large, computationally intensive time-dependent calculations on massively parallel architectures, where even a single such calculation may need many months to complete. While KBA methods scale out well to very large numbers of compute nodes, we are limited by practical constraints on the number of such nodes we can actually apply to any given calculation. Instead, we describe a modified KBA algorithm that allows realization of the reductions in solution time offered by both the current, and future, architectural changes within a compute node.

RICIS research

NASA Technical Reports Server (NTRS)

Mckay, Charles W.; Feagin, Terry; Bishop, Peter C.; Hallum, Cecil R.; Freedman, Glenn B.

1987-01-01

The principle focus of one of the RICIS (Research Institute for Computing and Information Systems) components is computer systems and software engineering in-the-large of the lifecycle of large, complex, distributed systems which: (1) evolve incrementally over a long time; (2) contain non-stop components; and (3) must simultaneously satisfy a prioritized balance of mission and safety critical requirements at run time. This focus is extremely important because of the contribution of the scaling direction problem to the current software crisis. The Computer Systems and Software Engineering (CSSE) component addresses the lifestyle issues of three environments: host, integration, and target.

MOLNs: A CLOUD PLATFORM FOR INTERACTIVE, REPRODUCIBLE, AND SCALABLE SPATIAL STOCHASTIC COMPUTATIONAL EXPERIMENTS IN SYSTEMS BIOLOGY USING PyURDME

PubMed Central

Drawert, Brian; Trogdon, Michael; Toor, Salman; Petzold, Linda; Hellander, Andreas

2017-01-01

Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools and a complex software stack, as well as large and scalable compute and data analysis resources due to the large computational cost associated with Monte Carlo computational workflows. The complexity of setting up and managing a large-scale distributed computation environment to support productive and reproducible modeling can be prohibitive for practitioners in systems biology. This results in a barrier to the adoption of spatial stochastic simulation tools, effectively limiting the type of biological questions addressed by quantitative modeling. In this paper, we present PyURDME, a new, user-friendly spatial modeling and simulation package, and MOLNs, a cloud computing appliance for distributed simulation of stochastic reaction-diffusion models. MOLNs is based on IPython and provides an interactive programming platform for development of sharable and reproducible distributed parallel computational experiments. PMID:28190948

Tortuosity of lightning return stroke channels

NASA Technical Reports Server (NTRS)

Levine, D. M.; Gilson, B.

1984-01-01

Data obtained from photographs of lightning are presented on the tortuosity of return stroke channels. The data were obtained by making piecewise linear fits to the channels, and recording the cartesian coordinates of the ends of each linear segment. The mean change between ends of the segments was nearly zero in the horizontal direction and was about eight meters in the vertical direction. Histograms of these changes are presented. These data were used to create model lightning channels and to predict the electric fields radiated during return strokes. This was done using a computer generated random walk in which linear segments were placed end-to-end to form a piecewise linear representation of the channel. The computer selected random numbers for the ends of the segments assuming a normal distribution with the measured statistics. Once the channels were simulated, the electric fields radiated during a return stroke were predicted using a transmission line model on each segment. It was found that realistic channels are obtained with this procedure, but only if the model includes two scales of tortuosity: fine scale irregularities corresponding to the local channel tortuosity which are superimposed on large scale horizontal drifts. The two scales of tortuosity are also necessary to obtain agreement between the electric fields computed mathematically from the simulated channels and the electric fields radiated from real return strokes. Without large scale drifts, the computed electric fields do not have the undulations characteristics of the data.

cOSPREY: A Cloud-Based Distributed Algorithm for Large-Scale Computational Protein Design

PubMed Central

Pan, Yuchao; Dong, Yuxi; Zhou, Jingtian; Hallen, Mark; Donald, Bruce R.; Xu, Wei

2016-01-01

Abstract Finding the global minimum energy conformation (GMEC) of a huge combinatorial search space is the key challenge in computational protein design (CPD) problems. Traditional algorithms lack a scalable and efficient distributed design scheme, preventing researchers from taking full advantage of current cloud infrastructures. We design cloud OSPREY (cOSPREY), an extension to a widely used protein design software OSPREY, to allow the original design framework to scale to the commercial cloud infrastructures. We propose several novel designs to integrate both algorithm and system optimizations, such as GMEC-specific pruning, state search partitioning, asynchronous algorithm state sharing, and fault tolerance. We evaluate cOSPREY on three different cloud platforms using different technologies and show that it can solve a number of large-scale protein design problems that have not been possible with previous approaches. PMID:27154509

High performance cellular level agent-based simulation with FLAME for the GPU.

PubMed

Richmond, Paul; Walker, Dawn; Coakley, Simon; Romano, Daniela

2010-05-01

Driven by the availability of experimental data and ability to simulate a biological scale which is of immediate interest, the cellular scale is fast emerging as an ideal candidate for middle-out modelling. As with 'bottom-up' simulation approaches, cellular level simulations demand a high degree of computational power, which in large-scale simulations can only be achieved through parallel computing. The flexible large-scale agent modelling environment (FLAME) is a template driven framework for agent-based modelling (ABM) on parallel architectures ideally suited to the simulation of cellular systems. It is available for both high performance computing clusters (www.flame.ac.uk) and GPU hardware (www.flamegpu.com) and uses a formal specification technique that acts as a universal modelling format. This not only creates an abstraction from the underlying hardware architectures, but avoids the steep learning curve associated with programming them. In benchmarking tests and simulations of advanced cellular systems, FLAME GPU has reported massive improvement in performance over more traditional ABM frameworks. This allows the time spent in the development and testing stages of modelling to be drastically reduced and creates the possibility of real-time visualisation for simple visual face-validation.

BlazeDEM3D-GPU A Large Scale DEM simulation code for GPUs

NASA Astrophysics Data System (ADS)

Govender, Nicolin; Wilke, Daniel; Pizette, Patrick; Khinast, Johannes

2017-06-01

Accurately predicting the dynamics of particulate materials is of importance to numerous scientific and industrial areas with applications ranging across particle scales from powder flow to ore crushing. Computational discrete element simulations is a viable option to aid in the understanding of particulate dynamics and design of devices such as mixers, silos and ball mills, as laboratory scale tests comes at a significant cost. However, the computational time required to simulate an industrial scale simulation which consists of tens of millions of particles can take months to complete on large CPU clusters, making the Discrete Element Method (DEM) unfeasible for industrial applications. Simulations are therefore typically restricted to tens of thousands of particles with highly detailed particle shapes or a few million of particles with often oversimplified particle shapes. However, a number of applications require accurate representation of the particle shape to capture the macroscopic behaviour of the particulate system. In this paper we give an overview of the recent extensions to the open source GPU based DEM code, BlazeDEM3D-GPU, that can simulate millions of polyhedra and tens of millions of spheres on a desktop computer with a single or multiple GPUs.

Research on OpenStack of open source cloud computing in colleges and universities’ computer room

NASA Astrophysics Data System (ADS)

Wang, Lei; Zhang, Dandan

2017-06-01

In recent years, the cloud computing technology has a rapid development, especially open source cloud computing. Open source cloud computing has attracted a large number of user groups by the advantages of open source and low cost, have now become a large-scale promotion and application. In this paper, firstly we briefly introduced the main functions and architecture of the open source cloud computing OpenStack tools, and then discussed deeply the core problems of computer labs in colleges and universities. Combining with this research, it is not that the specific application and deployment of university computer rooms with OpenStack tool. The experimental results show that the application of OpenStack tool can efficiently and conveniently deploy cloud of university computer room, and its performance is stable and the functional value is good.

Superconducting Optoelectronic Circuits for Neuromorphic Computing

NASA Astrophysics Data System (ADS)

Shainline, Jeffrey M.; Buckley, Sonia M.; Mirin, Richard P.; Nam, Sae Woo

2017-03-01

Neural networks have proven effective for solving many difficult computational problems, yet implementing complex neural networks in software is computationally expensive. To explore the limits of information processing, it is necessary to implement new hardware platforms with large numbers of neurons, each with a large number of connections to other neurons. Here we propose a hybrid semiconductor-superconductor hardware platform for the implementation of neural networks and large-scale neuromorphic computing. The platform combines semiconducting few-photon light-emitting diodes with superconducting-nanowire single-photon detectors to behave as spiking neurons. These processing units are connected via a network of optical waveguides, and variable weights of connection can be implemented using several approaches. The use of light as a signaling mechanism overcomes fanout and parasitic constraints on electrical signals while simultaneously introducing physical degrees of freedom which can be employed for computation. The use of supercurrents achieves the low power density (1 mW /cm2 at 20-MHz firing rate) necessary to scale to systems with enormous entropy. Estimates comparing the proposed hardware platform to a human brain show that with the same number of neurons (1 011) and 700 independent connections per neuron, the hardware presented here may achieve an order of magnitude improvement in synaptic events per second per watt.

Improving Design Efficiency for Large-Scale Heterogeneous Circuits

NASA Astrophysics Data System (ADS)

Gregerson, Anthony

Despite increases in logic density, many Big Data applications must still be partitioned across multiple computing devices in order to meet their strict performance requirements. Among the most demanding of these applications is high-energy physics (HEP), which uses complex computing systems consisting of thousands of FPGAs and ASICs to process the sensor data created by experiments at particles accelerators such as the Large Hadron Collider (LHC). Designing such computing systems is challenging due to the scale of the systems, the exceptionally high-throughput and low-latency performance constraints that necessitate application-specific hardware implementations, the requirement that algorithms are efficiently partitioned across many devices, and the possible need to update the implemented algorithms during the lifetime of the system. In this work, we describe our research to develop flexible architectures for implementing such large-scale circuits on FPGAs. In particular, this work is motivated by (but not limited in scope to) high-energy physics algorithms for the Compact Muon Solenoid (CMS) experiment at the LHC. To make efficient use of logic resources in multi-FPGA systems, we introduce Multi-Personality Partitioning, a novel form of the graph partitioning problem, and present partitioning algorithms that can significantly improve resource utilization on heterogeneous devices while also reducing inter-chip connections. To reduce the high communication costs of Big Data applications, we also introduce Information-Aware Partitioning, a partitioning method that analyzes the data content of application-specific circuits, characterizes their entropy, and selects circuit partitions that enable efficient compression of data between chips. We employ our information-aware partitioning method to improve the performance of the hardware validation platform for evaluating new algorithms for the CMS experiment. Together, these research efforts help to improve the efficiency and decrease the cost of the developing large-scale, heterogeneous circuits needed to enable large-scale application in high-energy physics and other important areas.

The future of scientific workflows

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deelman, Ewa; Peterka, Tom; Altintas, Ilkay

Today’s computational, experimental, and observational sciences rely on computations that involve many related tasks. The success of a scientific mission often hinges on the computer automation of these workflows. In April 2015, the US Department of Energy (DOE) invited a diverse group of domain and computer scientists from national laboratories supported by the Office of Science, the National Nuclear Security Administration, from industry, and from academia to review the workflow requirements of DOE’s science and national security missions, to assess the current state of the art in science workflows, to understand the impact of emerging extreme-scale computing systems on thosemore » workflows, and to develop requirements for automated workflow management in future and existing environments. This article is a summary of the opinions of over 50 leading researchers attending this workshop. We highlight use cases, computing systems, workflow needs and conclude by summarizing the remaining challenges this community sees that inhibit large-scale scientific workflows from becoming a mainstream tool for extreme-scale science.« less

Saliency image of feature building for image quality assessment

NASA Astrophysics Data System (ADS)

Ju, Xinuo; Sun, Jiyin; Wang, Peng

2011-11-01

The purpose and method of image quality assessment are quite different for automatic target recognition (ATR) and traditional application. Local invariant feature detectors, mainly including corner detectors, blob detectors and region detectors etc., are widely applied for ATR. A saliency model of feature was proposed to evaluate feasibility of ATR in this paper. The first step consisted of computing the first-order derivatives on horizontal orientation and vertical orientation, and computing DoG maps in different scales respectively. Next, saliency images of feature were built based auto-correlation matrix in different scale. Then, saliency images of feature of different scales amalgamated. Experiment were performed on a large test set, including infrared images and optical images, and the result showed that the salient regions computed by this model were consistent with real feature regions computed by mostly local invariant feature extraction algorithms.

Theoretical and Empirical Comparison of Big Data Image Processing with Apache Hadoop and Sun Grid Engine.

PubMed

Bao, Shunxing; Weitendorf, Frederick D; Plassard, Andrew J; Huo, Yuankai; Gokhale, Aniruddha; Landman, Bennett A

2017-02-11

The field of big data is generally concerned with the scale of processing at which traditional computational paradigms break down. In medical imaging, traditional large scale processing uses a cluster computer that combines a group of workstation nodes into a functional unit that is controlled by a job scheduler. Typically, a shared-storage network file system (NFS) is used to host imaging data. However, data transfer from storage to processing nodes can saturate network bandwidth when data is frequently uploaded/retrieved from the NFS, e.g., "short" processing times and/or "large" datasets. Recently, an alternative approach using Hadoop and HBase was presented for medical imaging to enable co-location of data storage and computation while minimizing data transfer. The benefits of using such a framework must be formally evaluated against a traditional approach to characterize the point at which simply "large scale" processing transitions into "big data" and necessitates alternative computational frameworks. The proposed Hadoop system was implemented on a production lab-cluster alongside a standard Sun Grid Engine (SGE). Theoretical models for wall-clock time and resource time for both approaches are introduced and validated. To provide real example data, three T1 image archives were retrieved from a university secure, shared web database and used to empirically assess computational performance under three configurations of cluster hardware (using 72, 109, or 209 CPU cores) with differing job lengths. Empirical results match the theoretical models. Based on these data, a comparative analysis is presented for when the Hadoop framework will be relevant and non-relevant for medical imaging.

Theoretical and empirical comparison of big data image processing with Apache Hadoop and Sun Grid Engine

NASA Astrophysics Data System (ADS)

Bao, Shunxing; Weitendorf, Frederick D.; Plassard, Andrew J.; Huo, Yuankai; Gokhale, Aniruddha; Landman, Bennett A.

2017-03-01

The field of big data is generally concerned with the scale of processing at which traditional computational paradigms break down. In medical imaging, traditional large scale processing uses a cluster computer that combines a group of workstation nodes into a functional unit that is controlled by a job scheduler. Typically, a shared-storage network file system (NFS) is used to host imaging data. However, data transfer from storage to processing nodes can saturate network bandwidth when data is frequently uploaded/retrieved from the NFS, e.g., "short" processing times and/or "large" datasets. Recently, an alternative approach using Hadoop and HBase was presented for medical imaging to enable co-location of data storage and computation while minimizing data transfer. The benefits of using such a framework must be formally evaluated against a traditional approach to characterize the point at which simply "large scale" processing transitions into "big data" and necessitates alternative computational frameworks. The proposed Hadoop system was implemented on a production lab-cluster alongside a standard Sun Grid Engine (SGE). Theoretical models for wall-clock time and resource time for both approaches are introduced and validated. To provide real example data, three T1 image archives were retrieved from a university secure, shared web database and used to empirically assess computational performance under three configurations of cluster hardware (using 72, 109, or 209 CPU cores) with differing job lengths. Empirical results match the theoretical models. Based on these data, a comparative analysis is presented for when the Hadoop framework will be relevant and nonrelevant for medical imaging.

The use of imprecise processing to improve accuracy in weather & climate prediction

NASA Astrophysics Data System (ADS)

Düben, Peter D.; McNamara, Hugh; Palmer, T. N.

2014-08-01

The use of stochastic processing hardware and low precision arithmetic in atmospheric models is investigated. Stochastic processors allow hardware-induced faults in calculations, sacrificing bit-reproducibility and precision in exchange for improvements in performance and potentially accuracy of forecasts, due to a reduction in power consumption that could allow higher resolution. A similar trade-off is achieved using low precision arithmetic, with improvements in computation and communication speed and savings in storage and memory requirements. As high-performance computing becomes more massively parallel and power intensive, these two approaches may be important stepping stones in the pursuit of global cloud-resolving atmospheric modelling. The impact of both hardware induced faults and low precision arithmetic is tested using the Lorenz '96 model and the dynamical core of a global atmosphere model. In the Lorenz '96 model there is a natural scale separation; the spectral discretisation used in the dynamical core also allows large and small scale dynamics to be treated separately within the code. Such scale separation allows the impact of lower-accuracy arithmetic to be restricted to components close to the truncation scales and hence close to the necessarily inexact parametrised representations of unresolved processes. By contrast, the larger scales are calculated using high precision deterministic arithmetic. Hardware faults from stochastic processors are emulated using a bit-flip model with different fault rates. Our simulations show that both approaches to inexact calculations do not substantially affect the large scale behaviour, provided they are restricted to act only on smaller scales. By contrast, results from the Lorenz '96 simulations are superior when small scales are calculated on an emulated stochastic processor than when those small scales are parametrised. This suggests that inexact calculations at the small scale could reduce computation and power costs without adversely affecting the quality of the simulations. This would allow higher resolution models to be run at the same computational cost.

Computational study of 3-D hot-spot initiation in shocked insensitive high-explosive

NASA Astrophysics Data System (ADS)

Najjar, F. M.; Howard, W. M.; Fried, L. E.; Manaa, M. R.; Nichols, A., III; Levesque, G.

2012-03-01

High-explosive (HE) material consists of large-sized grains with micron-sized embedded impurities and pores. Under various mechanical/thermal insults, these pores collapse generating hightemperature regions leading to ignition. A hydrodynamic study has been performed to investigate the mechanisms of pore collapse and hot spot initiation in TATB crystals, employing a multiphysics code, ALE3D, coupled to the chemistry module, Cheetah. This computational study includes reactive dynamics. Two-dimensional high-resolution large-scale meso-scale simulations have been performed. The parameter space is systematically studied by considering various shock strengths, pore diameters and multiple pore configurations. Preliminary 3-D simulations are undertaken to quantify the 3-D dynamics.

Simulation of turbulent shear flows at Stanford and NASA-Ames - What can we do and what have we learned?

NASA Technical Reports Server (NTRS)

Reynolds, W. C.

1983-01-01

The capabilities and limitations of large eddy simulation (LES) and full turbulence simulation (FTS) are outlined. It is pointed out that LES, although limited at the present time by the need for periodic boundary conditions, produces large-scale flow behavior in general agreement with experiments. What is more, FTS computations produce small-scale behavior that is consistent with available experiments. The importance of the development work being done on the National Aerodynamic Simulator is emphasized. Studies at present are limited to situations in which periodic boundary conditions can be applied on boundaries of the computational domain where the flow is turbulent.

Designing and developing portable large-scale JavaScript web applications within the Experiment Dashboard framework

NASA Astrophysics Data System (ADS)

Andreeva, J.; Dzhunov, I.; Karavakis, E.; Kokoszkiewicz, L.; Nowotka, M.; Saiz, P.; Tuckett, D.

2012-12-01

Improvements in web browser performance and web standards compliance, as well as the availability of comprehensive JavaScript libraries, provides an opportunity to develop functionally rich yet intuitive web applications that allow users to access, render and analyse data in novel ways. However, the development of such large-scale JavaScript web applications presents new challenges, in particular with regard to code sustainability and team-based work. We present an approach that meets the challenges of large-scale JavaScript web application design and development, including client-side model-view-controller architecture, design patterns, and JavaScript libraries. Furthermore, we show how the approach leads naturally to the encapsulation of the data source as a web API, allowing applications to be easily ported to new data sources. The Experiment Dashboard framework is used for the development of applications for monitoring the distributed computing activities of virtual organisations on the Worldwide LHC Computing Grid. We demonstrate the benefits of the approach for large-scale JavaScript web applications in this context by examining the design of several Experiment Dashboard applications for data processing, data transfer and site status monitoring, and by showing how they have been ported for different virtual organisations and technologies.

A Multi-Time Scale Morphable Software Milieu for Polymorphous Computing Architectures (PCA) - Composable, Scalable Systems

DTIC Science & Technology

2004-10-01

MONITORING AGENCY NAME(S) AND ADDRESS(ES) Defense Advanced Research Projects Agency AFRL/IFTC 3701 North Fairfax Drive...Scalable Parallel Libraries for Large-Scale Concurrent Applications," Technical Report UCRL -JC-109251, Lawrence Livermore National Laboratory

High-Performance Computing Unlocks Innovation at NREL - Video Text Version

Science.gov Websites

scales, data visualizations and large-scale modeling provide insights and test new ideas. But this type most energy-efficient data center in the world. NREL and Hewlett-Packard won an R&D 100 award-the

Teaching Real Science with a Microcomputer.

ERIC Educational Resources Information Center

Naiman, Adeline

1983-01-01

Discusses various ways science can be taught using microcomputers, including simulations/games which allow large-scale or historic experiments to be replicated on a manageable scale in a brief time. Examples of several computer programs are also presented, including "Experiments in Human Physiology,""Health Awareness…

A large-scale solar dynamics observatory image dataset for computer vision applications.

PubMed

Kucuk, Ahmet; Banda, Juan M; Angryk, Rafal A

2017-01-01

The National Aeronautics Space Agency (NASA) Solar Dynamics Observatory (SDO) mission has given us unprecedented insight into the Sun's activity. By capturing approximately 70,000 images a day, this mission has created one of the richest and biggest repositories of solar image data available to mankind. With such massive amounts of information, researchers have been able to produce great advances in detecting solar events. In this resource, we compile SDO solar data into a single repository in order to provide the computer vision community with a standardized and curated large-scale dataset of several hundred thousand solar events found on high resolution solar images. This publicly available resource, along with the generation source code, will accelerate computer vision research on NASA's solar image data by reducing the amount of time spent performing data acquisition and curation from the multiple sources we have compiled. By improving the quality of the data with thorough curation, we anticipate a wider adoption and interest from the computer vision to the solar physics community.

Accelerating three-dimensional FDTD calculations on GPU clusters for electromagnetic field simulation.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2012-01-01

Electromagnetic simulation with anatomically realistic computational human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the computational human model, we adapt three-dimensional FDTD code to a multi-GPU cluster environment with Compute Unified Device Architecture and Message Passing Interface. Our multi-GPU cluster system consists of three nodes. The seven GPU boards (NVIDIA Tesla C2070) are mounted on each node. We examined the performance of the FDTD calculation on multi-GPU cluster environment. We confirmed that the FDTD calculation on the multi-GPU clusters is faster than that on a multi-GPU (a single workstation), and we also found that the GPU cluster system calculate faster than a vector supercomputer. In addition, our GPU cluster system allowed us to perform the large-scale FDTD calculation because were able to use GPU memory of over 100 GB.

Qubit-qubit interaction in quantum computers: errors and scaling laws

NASA Astrophysics Data System (ADS)

Gea-Banacloche, Julio R.

1998-07-01

This paper explores the limitations that interaction between the physical qubits making up a quantum computer may impose on the computer's performance. For computers using atoms as qubits, magnetic dipole-dipole interactions are likely to be dominant; various types of errors which they might introduce are considered here. The strength of the interaction may be reduce by increasing the distance between qubits, which in general will make the computer slower. For ion-chain based quantum computers the slowing down due to this effect is found to be generally more sever than that due to other causes. In particular, this effect alone would be enough to make these systems unacceptably slow for large-scale computation, whether they use the center of mass motion as the 'bus' or whether they do this via an optical cavity mode.

Computational Challenges in the Analysis of Petrophysics Using Microtomography and Upscaling

NASA Astrophysics Data System (ADS)

Liu, J.; Pereira, G.; Freij-Ayoub, R.; Regenauer-Lieb, K.

2014-12-01

Microtomography provides detailed 3D internal structures of rocks in micro- to tens of nano-meter resolution and is quickly turning into a new technology for studying petrophysical properties of materials. An important step is the upscaling of these properties as micron or sub-micron resolution can only be done on the sample-scale of millimeters or even less than a millimeter. We present here a recently developed computational workflow for the analysis of microstructures including the upscaling of material properties. Computations of properties are first performed using conventional material science simulations at micro to nano-scale. The subsequent upscaling of these properties is done by a novel renormalization procedure based on percolation theory. We have tested the workflow using different rock samples, biological and food science materials. We have also applied the technique on high-resolution time-lapse synchrotron CT scans. In this contribution we focus on the computational challenges that arise from the big data problem of analyzing petrophysical properties and its subsequent upscaling. We discuss the following challenges: 1) Characterization of microtomography for extremely large data sets - our current capability. 2) Computational fluid dynamics simulations at pore-scale for permeability estimation - methods, computing cost and accuracy. 3) Solid mechanical computations at pore-scale for estimating elasto-plastic properties - computational stability, cost, and efficiency. 4) Extracting critical exponents from derivative models for scaling laws - models, finite element meshing, and accuracy. Significant progress in each of these challenges is necessary to transform microtomography from the current research problem into a robust computational big data tool for multi-scale scientific and engineering problems.

Landscape Characterization of Arctic Ecosystems Using Data Mining Algorithms and Large Geospatial Datasets

NASA Astrophysics Data System (ADS)

Langford, Z. L.; Kumar, J.; Hoffman, F. M.

2015-12-01

Observations indicate that over the past several decades, landscape processes in the Arctic have been changing or intensifying. A dynamic Arctic landscape has the potential to alter ecosystems across a broad range of scales. Accurate characterization is useful to understand the properties and organization of the landscape, optimal sampling network design, measurement and process upscaling and to establish a landscape-based framework for multi-scale modeling of ecosystem processes. This study seeks to delineate the landscape at Seward Peninsula of Alaska into ecoregions using large volumes (terabytes) of high spatial resolution satellite remote-sensing data. Defining high-resolution ecoregion boundaries is difficult because many ecosystem processes in Arctic ecosystems occur at small local to regional scales, which are often resolved in by coarse resolution satellites (e.g., MODIS). We seek to use data-fusion techniques and data analytics algorithms applied to Phased Array type L-band Synthetic Aperture Radar (PALSAR), Interferometric Synthetic Aperture Radar (IFSAR), Satellite for Observation of Earth (SPOT), WorldView-2, WorldView-3, and QuickBird-2 to develop high-resolution (˜5m) ecoregion maps for multiple time periods. Traditional analysis methods and algorithms are insufficient for analyzing and synthesizing such large geospatial data sets, and those algorithms rarely scale out onto large distributed- memory parallel computer systems. We seek to develop computationally efficient algorithms and techniques using high-performance computing for characterization of Arctic landscapes. We will apply a variety of data analytics algorithms, such as cluster analysis, complex object-based image analysis (COBIA), and neural networks. We also propose to use representativeness analysis within the Seward Peninsula domain to determine optimal sampling locations for fine-scale measurements. This methodology should provide an initial framework for analyzing dynamic landscape trends in Arctic ecosystems, such as shrubification and disturbances, and integration of ecoregions into multi-scale models.

Parallel Multivariate Spatio-Temporal Clustering of Large Ecological Datasets on Hybrid Supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sreepathi, Sarat; Kumar, Jitendra; Mills, Richard T.

A proliferation of data from vast networks of remote sensing platforms (satellites, unmanned aircraft systems (UAS), airborne etc.), observational facilities (meteorological, eddy covariance etc.), state-of-the-art sensors, and simulation models offer unprecedented opportunities for scientific discovery. Unsupervised classification is a widely applied data mining approach to derive insights from such data. However, classification of very large data sets is a complex computational problem that requires efficient numerical algorithms and implementations on high performance computing (HPC) platforms. Additionally, increasing power, space, cooling and efficiency requirements has led to the deployment of hybrid supercomputing platforms with complex architectures and memory hierarchies like themore » Titan system at Oak Ridge National Laboratory. The advent of such accelerated computing architectures offers new challenges and opportunities for big data analytics in general and specifically, large scale cluster analysis in our case. Although there is an existing body of work on parallel cluster analysis, those approaches do not fully meet the needs imposed by the nature and size of our large data sets. Moreover, they had scaling limitations and were mostly limited to traditional distributed memory computing platforms. We present a parallel Multivariate Spatio-Temporal Clustering (MSTC) technique based on k-means cluster analysis that can target hybrid supercomputers like Titan. We developed a hybrid MPI, CUDA and OpenACC implementation that can utilize both CPU and GPU resources on computational nodes. We describe performance results on Titan that demonstrate the scalability and efficacy of our approach in processing large ecological data sets.« less

Constraints on the power spectrum of the primordial density field from large-scale data - Microwave background and predictions of inflation

NASA Technical Reports Server (NTRS)

Kashlinsky, A.

1992-01-01

It is shown here that, by using galaxy catalog correlation data as input, measurements of microwave background radiation (MBR) anisotropies should soon be able to test two of the inflationary scenario's most basic predictions: (1) that the primordial density fluctuations produced were scale-invariant and (2) that the universe is flat. They should also be able to detect anisotropies of large-scale structure formed by gravitational evolution of density fluctuations present at the last scattering epoch. Computations of MBR anisotropies corresponding to the minimum of the large-scale variance of the MBR anisotropy are presented which favor an open universe with P(k) significantly different from the Harrison-Zeldovich spectrum predicted by most inflationary models.

A Study on Fast Gates for Large-Scale Quantum Simulation with Trapped Ions

PubMed Central

Taylor, Richard L.; Bentley, Christopher D. B.; Pedernales, Julen S.; Lamata, Lucas; Solano, Enrique; Carvalho, André R. R.; Hope, Joseph J.

2017-01-01

Large-scale digital quantum simulations require thousands of fundamental entangling gates to construct the simulated dynamics. Despite success in a variety of small-scale simulations, quantum information processing platforms have hitherto failed to demonstrate the combination of precise control and scalability required to systematically outmatch classical simulators. We analyse how fast gates could enable trapped-ion quantum processors to achieve the requisite scalability to outperform classical computers without error correction. We analyze the performance of a large-scale digital simulator, and find that fidelity of around 70% is realizable for π-pulse infidelities below 10−5 in traps subject to realistic rates of heating and dephasing. This scalability relies on fast gates: entangling gates faster than the trap period. PMID:28401945

A Study on Fast Gates for Large-Scale Quantum Simulation with Trapped Ions.

PubMed

Taylor, Richard L; Bentley, Christopher D B; Pedernales, Julen S; Lamata, Lucas; Solano, Enrique; Carvalho, André R R; Hope, Joseph J

2017-04-12

Large-scale digital quantum simulations require thousands of fundamental entangling gates to construct the simulated dynamics. Despite success in a variety of small-scale simulations, quantum information processing platforms have hitherto failed to demonstrate the combination of precise control and scalability required to systematically outmatch classical simulators. We analyse how fast gates could enable trapped-ion quantum processors to achieve the requisite scalability to outperform classical computers without error correction. We analyze the performance of a large-scale digital simulator, and find that fidelity of around 70% is realizable for π-pulse infidelities below 10 -5 in traps subject to realistic rates of heating and dephasing. This scalability relies on fast gates: entangling gates faster than the trap period.

Computational Omics Pre-Awardees | Office of Cancer Clinical Proteomics Research

Cancer.gov

The National Cancer Institute's Clinical Proteomic Tumor Analysis Consortium (CPTAC) is pleased to announce the pre-awardees of the Computational Omics solicitation. Working with NVIDIA Foundation's Compute the Cure initiative and Leidos Biomedical Research Inc., the NCI, through this solicitation, seeks to leverage computational efforts to provide tools for the mining and interpretation of large-scale publicly available ‘omics’ datasets.

A scalable PC-based parallel computer for lattice QCD

NASA Astrophysics Data System (ADS)

Fodor, Z.; Katz, S. D.; Pappa, G.

2003-05-01

A PC-based parallel computer for medium/large scale lattice QCD simulations is suggested. The Eo¨tvo¨s Univ., Inst. Theor. Phys. cluster consists of 137 Intel P4-1.7GHz nodes. Gigabit Ethernet cards are used for nearest neighbor communication in a two-dimensional mesh. The sustained performance for dynamical staggered (wilson) quarks on large lattices is around 70(110) GFlops. The exceptional price/performance ratio is below $1/Mflop.

Scale-free Graphs for General Aviation Flight Schedules

NASA Technical Reports Server (NTRS)

Alexandov, Natalia M. (Technical Monitor); Kincaid, Rex K.

2003-01-01

In the late 1990s a number of researchers noticed that networks in biology, sociology, and telecommunications exhibited similar characteristics unlike standard random networks. In particular, they found that the cummulative degree distributions of these graphs followed a power law rather than a binomial distribution and that their clustering coefficients tended to a nonzero constant as the number of nodes, n, became large rather than O(1/n). Moreover, these networks shared an important property with traditional random graphs as n becomes large the average shortest path length scales with log n. This latter property has been coined the small-world property. When taken together these three properties small-world, power law, and constant clustering coefficient describe what are now most commonly referred to as scale-free networks. Since 1997 at least six books and over 400 articles have been written about scale-free networks. In this manuscript an overview of the salient characteristics of scale-free networks. Computational experience will be provided for two mechanisms that grow (dynamic) scale-free graphs. Additional computational experience will be given for constructing (static) scale-free graphs via a tabu search optimization approach. Finally, a discussion of potential applications to general aviation networks is given.

Yong-Ki Kim — His Life and Recent Work

NASA Astrophysics Data System (ADS)

Stone, Philip M.

2007-08-01

Dr. Kim made internationally recognized contributions in many areas of atomic physics research and applications, and was still very active when he was killed in an automobile accident. He joined NIST in 1983 after 17 years at the Argonne National Laboratory following his Ph.D. work at the University of Chicago. Much of his early work at Argonne and especially at NIST was the elucidation and detailed analysis of the structure of highly charged ions. He developed a sophisticated, fully relativistic atomic structure theory that accurately predicts atomic energy levels, transition wavelengths, lifetimes, and transition probabilities for a large number of ions. This information has been vital to model the properties of the hot interior of fusion research plasmas, where atomic ions must be described with relativistic atomic structure calculations. In recent years, Dr. Kim worked on the precise calculation of ionization and excitation cross sections of numerous atoms, ions, and molecules that are important in fusion research and in plasma processing for manufacturing semiconductor chips. Dr. Kim greatly advanced the state-of-the-art of calculations for these cross sections through development and implementation of highly innovative methods, including his Binary-Encounter-Bethe (BEB) theory and a scaled plane wave Born (scaled PWB) theory. His methods, using closed quantum mechanical formulas and no adjustable parameters, avoid tedious large-scale computations with main-frame computers. His calculations closely reproduce the results of benchmark experiments as well as large-scale calculations requiring hours of computer time. This recent work on BEB and scaled PWB is reviewed and examples of its capabilities are shown.

Using Hybrid Techniques for Generating Watershed-scale Flood Models in an Integrated Modeling Framework

NASA Astrophysics Data System (ADS)

Saksena, S.; Merwade, V.; Singhofen, P.

2017-12-01

There is an increasing global trend towards developing large scale flood models that account for spatial heterogeneity at watershed scales to drive the future flood risk planning. Integrated surface water-groundwater modeling procedures can elucidate all the hydrologic processes taking part during a flood event to provide accurate flood outputs. Even though the advantages of using integrated modeling are widely acknowledged, the complexity of integrated process representation, computation time and number of input parameters required have deterred its application to flood inundation mapping, especially for large watersheds. This study presents a faster approach for creating watershed scale flood models using a hybrid design that breaks down the watershed into multiple regions of variable spatial resolution by prioritizing higher order streams. The methodology involves creating a hybrid model for the Upper Wabash River Basin in Indiana using Interconnected Channel and Pond Routing (ICPR) and comparing the performance with a fully-integrated 2D hydrodynamic model. The hybrid approach involves simplification procedures such as 1D channel-2D floodplain coupling; hydrologic basin (HUC-12) integration with 2D groundwater for rainfall-runoff routing; and varying spatial resolution of 2D overland flow based on stream order. The results for a 50-year return period storm event show that hybrid model (NSE=0.87) performance is similar to the 2D integrated model (NSE=0.88) but the computational time is reduced to half. The results suggest that significant computational efficiency can be obtained while maintaining model accuracy for large-scale flood models by using hybrid approaches for model creation.

Beyond Scale-Free Small-World Networks: Cortical Columns for Quick Brains

NASA Astrophysics Data System (ADS)

Stoop, Ralph; Saase, Victor; Wagner, Clemens; Stoop, Britta; Stoop, Ruedi

2013-03-01

We study to what extent cortical columns with their particular wiring boost neural computation. Upon a vast survey of columnar networks performing various real-world cognitive tasks, we detect no signs of enhancement. It is on a mesoscopic—intercolumnar—scale that the existence of columns, largely irrespective of their inner organization, enhances the speed of information transfer and minimizes the total wiring length required to bind distributed columnar computations towards spatiotemporally coherent results. We suggest that brain efficiency may be related to a doubly fractal connectivity law, resulting in networks with efficiency properties beyond those by scale-free networks.

Large-scale quantum photonic circuits in silicon

NASA Astrophysics Data System (ADS)

Harris, Nicholas C.; Bunandar, Darius; Pant, Mihir; Steinbrecher, Greg R.; Mower, Jacob; Prabhu, Mihika; Baehr-Jones, Tom; Hochberg, Michael; Englund, Dirk

2016-08-01

Quantum information science offers inherently more powerful methods for communication, computation, and precision measurement that take advantage of quantum superposition and entanglement. In recent years, theoretical and experimental advances in quantum computing and simulation with photons have spurred great interest in developing large photonic entangled states that challenge today's classical computers. As experiments have increased in complexity, there has been an increasing need to transition bulk optics experiments to integrated photonics platforms to control more spatial modes with higher fidelity and phase stability. The silicon-on-insulator (SOI) nanophotonics platform offers new possibilities for quantum optics, including the integration of bright, nonclassical light sources, based on the large third-order nonlinearity (χ(3)) of silicon, alongside quantum state manipulation circuits with thousands of optical elements, all on a single phase-stable chip. How large do these photonic systems need to be? Recent theoretical work on Boson Sampling suggests that even the problem of sampling from e30 identical photons, having passed through an interferometer of hundreds of modes, becomes challenging for classical computers. While experiments of this size are still challenging, the SOI platform has the required component density to enable low-loss and programmable interferometers for manipulating hundreds of spatial modes. Here, we discuss the SOI nanophotonics platform for quantum photonic circuits with hundreds-to-thousands of optical elements and the associated challenges. We compare SOI to competing technologies in terms of requirements for quantum optical systems. We review recent results on large-scale quantum state evolution circuits and strategies for realizing high-fidelity heralded gates with imperfect, practical systems. Next, we review recent results on silicon photonics-based photon-pair sources and device architectures, and we discuss a path towards large-scale source integration. Finally, we review monolithic integration strategies for single-photon detectors and their essential role in on-chip feed forward operations.

A sense of life: computational and experimental investigations with models of biochemical and evolutionary processes.

PubMed

Mishra, Bud; Daruwala, Raoul-Sam; Zhou, Yi; Ugel, Nadia; Policriti, Alberto; Antoniotti, Marco; Paxia, Salvatore; Rejali, Marc; Rudra, Archisman; Cherepinsky, Vera; Silver, Naomi; Casey, William; Piazza, Carla; Simeoni, Marta; Barbano, Paolo; Spivak, Marina; Feng, Jiawu; Gill, Ofer; Venkatesh, Mysore; Cheng, Fang; Sun, Bing; Ioniata, Iuliana; Anantharaman, Thomas; Hubbard, E Jane Albert; Pnueli, Amir; Harel, David; Chandru, Vijay; Hariharan, Ramesh; Wigler, Michael; Park, Frank; Lin, Shih-Chieh; Lazebnik, Yuri; Winkler, Franz; Cantor, Charles R; Carbone, Alessandra; Gromov, Mikhael

2003-01-01

We collaborate in a research program aimed at creating a rigorous framework, experimental infrastructure, and computational environment for understanding, experimenting with, manipulating, and modifying a diverse set of fundamental biological processes at multiple scales and spatio-temporal modes. The novelty of our research is based on an approach that (i) requires coevolution of experimental science and theoretical techniques and (ii) exploits a certain universality in biology guided by a parsimonious model of evolutionary mechanisms operating at the genomic level and manifesting at the proteomic, transcriptomic, phylogenic, and other higher levels. Our current program in "systems biology" endeavors to marry large-scale biological experiments with the tools to ponder and reason about large, complex, and subtle natural systems. To achieve this ambitious goal, ideas and concepts are combined from many different fields: biological experimentation, applied mathematical modeling, computational reasoning schemes, and large-scale numerical and symbolic simulations. From a biological viewpoint, the basic issues are many: (i) understanding common and shared structural motifs among biological processes; (ii) modeling biological noise due to interactions among a small number of key molecules or loss of synchrony; (iii) explaining the robustness of these systems in spite of such noise; and (iv) cataloging multistatic behavior and adaptation exhibited by many biological processes.

A k-space method for acoustic propagation using coupled first-order equations in three dimensions.

PubMed

Tillett, Jason C; Daoud, Mohammad I; Lacefield, James C; Waag, Robert C

2009-09-01

A previously described two-dimensional k-space method for large-scale calculation of acoustic wave propagation in tissues is extended to three dimensions. The three-dimensional method contains all of the two-dimensional method features that allow accurate and stable calculation of propagation. These features are spectral calculation of spatial derivatives, temporal correction that produces exact propagation in a homogeneous medium, staggered spatial and temporal grids, and a perfectly matched boundary layer. Spectral evaluation of spatial derivatives is accomplished using a fast Fourier transform in three dimensions. This computational bottleneck requires all-to-all communication; execution time in a parallel implementation is therefore sensitive to node interconnect latency and bandwidth. Accuracy of the three-dimensional method is evaluated through comparisons with exact solutions for media having spherical inhomogeneities. Large-scale calculations in three dimensions were performed by distributing the nearly 50 variables per voxel that are used to implement the method over a cluster of computers. Two computer clusters used to evaluate method accuracy are compared. Comparisons of k-space calculations with exact methods including absorption highlight the need to model accurately the medium dispersion relationships, especially in large-scale media. Accurately modeled media allow the k-space method to calculate acoustic propagation in tissues over hundreds of wavelengths.

Accelerating large-scale protein structure alignments with graphics processing units

PubMed Central

2012-01-01

Background Large-scale protein structure alignment, an indispensable tool to structural bioinformatics, poses a tremendous challenge on computational resources. To ensure structure alignment accuracy and efficiency, efforts have been made to parallelize traditional alignment algorithms in grid environments. However, these solutions are costly and of limited accessibility. Others trade alignment quality for speedup by using high-level characteristics of structure fragments for structure comparisons. Findings We present ppsAlign, a parallel protein structure Alignment framework designed and optimized to exploit the parallelism of Graphics Processing Units (GPUs). As a general-purpose GPU platform, ppsAlign could take many concurrent methods, such as TM-align and Fr-TM-align, into the parallelized algorithm design. We evaluated ppsAlign on an NVIDIA Tesla C2050 GPU card, and compared it with existing software solutions running on an AMD dual-core CPU. We observed a 36-fold speedup over TM-align, a 65-fold speedup over Fr-TM-align, and a 40-fold speedup over MAMMOTH. Conclusions ppsAlign is a high-performance protein structure alignment tool designed to tackle the computational complexity issues from protein structural data. The solution presented in this paper allows large-scale structure comparisons to be performed using massive parallel computing power of GPU. PMID:22357132

Challenges in scaling NLO generators to leadership computers

NASA Astrophysics Data System (ADS)

Benjamin, D.; Childers, JT; Hoeche, S.; LeCompte, T.; Uram, T.

2017-10-01

Exascale computing resources are roughly a decade away and will be capable of 100 times more computing than current supercomputers. In the last year, Energy Frontier experiments crossed a milestone of 100 million core-hours used at the Argonne Leadership Computing Facility, Oak Ridge Leadership Computing Facility, and NERSC. The Fortran-based leading-order parton generator called Alpgen was successfully scaled to millions of threads to achieve this level of usage on Mira. Sherpa and MadGraph are next-to-leading order generators used heavily by LHC experiments for simulation. Integration times for high-multiplicity or rare processes can take a week or more on standard Grid machines, even using all 16-cores. We will describe our ongoing work to scale the Sherpa generator to thousands of threads on leadership-class machines and reduce run-times to less than a day. This work allows the experiments to leverage large-scale parallel supercomputers for event generation today, freeing tens of millions of grid hours for other work, and paving the way for future applications (simulation, reconstruction) on these and future supercomputers.

Latest COBE results, large-scale data, and predictions of inflation

NASA Technical Reports Server (NTRS)

Kashlinsky, A.

1992-01-01

One of the predictions of the inflationary scenario of cosmology is that the initial spectrum of primordial density fluctuations (PDFs) must have the Harrison-Zeldovich (HZ) form. Here, in order to test the inflationary scenario, predictions of the microwave background radiation (MBR) anisotropies measured by COBE are computed based on large-scale data for the universe and assuming Omega-1 and the HZ spectrum on large scales. It is found that the minimal scale where the spectrum can first enter the HZ regime is found, constraining the power spectrum of the mass distribution to within the bias factor b. This factor is determined and used to predict parameters of the MBR anisotropy field. For the spectrum of PDFs that reaches the HZ regime immediately after the scale accessible to the APM catalog, the numbers on MBR anisotropies are consistent with the COBE detections and thus the standard inflation can indeed be considered a viable theory for the origin of the large-scale structure in the universe.

Combining Flux Balance and Energy Balance Analysis for Large-Scale Metabolic Network: Biochemical Circuit Theory for Analysis of Large-Scale Metabolic Networks

NASA Technical Reports Server (NTRS)

Beard, Daniel A.; Liang, Shou-Dan; Qian, Hong; Biegel, Bryan (Technical Monitor)

2001-01-01

Predicting behavior of large-scale biochemical metabolic networks represents one of the greatest challenges of bioinformatics and computational biology. Approaches, such as flux balance analysis (FBA), that account for the known stoichiometry of the reaction network while avoiding implementation of detailed reaction kinetics are perhaps the most promising tools for the analysis of large complex networks. As a step towards building a complete theory of biochemical circuit analysis, we introduce energy balance analysis (EBA), which compliments the FBA approach by introducing fundamental constraints based on the first and second laws of thermodynamics. Fluxes obtained with EBA are thermodynamically feasible and provide valuable insight into the activation and suppression of biochemical pathways.

Defense Acquisitions Acronyms and Terms

DTIC Science & Technology

2012-12-01

Computer-Aided Design CADD Computer-Aided Design and Drafting CAE Component Acquisition Executive; Computer-Aided Engineering CAIV Cost As an...Radiation to Ordnance HFE Human Factors Engineering HHA Health Hazard Assessment HNA Host-Nation Approval HNS Host-Nation Support HOL High -Order...Engineering Change Proposal VHSIC Very High Speed Integrated Circuit VLSI Very Large Scale Integration VOC Volatile Organic Compound W WAN Wide

Dark energy and modified gravity in the Effective Field Theory of Large-Scale Structure

NASA Astrophysics Data System (ADS)

Cusin, Giulia; Lewandowski, Matthew; Vernizzi, Filippo

2018-04-01

We develop an approach to compute observables beyond the linear regime of dark matter perturbations for general dark energy and modified gravity models. We do so by combining the Effective Field Theory of Dark Energy and Effective Field Theory of Large-Scale Structure approaches. In particular, we parametrize the linear and nonlinear effects of dark energy on dark matter clustering in terms of the Lagrangian terms introduced in a companion paper [1], focusing on Horndeski theories and assuming the quasi-static approximation. The Euler equation for dark matter is sourced, via the Newtonian potential, by new nonlinear vertices due to modified gravity and, as in the pure dark matter case, by the effects of short-scale physics in the form of the divergence of an effective stress tensor. The effective fluid introduces a counterterm in the solution to the matter continuity and Euler equations, which allows a controlled expansion of clustering statistics on mildly nonlinear scales. We use this setup to compute the one-loop dark-matter power spectrum.

An Implicit Solver on A Parallel Block-Structured Adaptive Mesh Grid for FLASH

NASA Astrophysics Data System (ADS)

Lee, D.; Gopal, S.; Mohapatra, P.

2012-07-01

We introduce a fully implicit solver for FLASH based on a Jacobian-Free Newton-Krylov (JFNK) approach with an appropriate preconditioner. The main goal of developing this JFNK-type implicit solver is to provide efficient high-order numerical algorithms and methodology for simulating stiff systems of differential equations on large-scale parallel computer architectures. A large number of natural problems in nonlinear physics involve a wide range of spatial and time scales of interest. A system that encompasses such a wide magnitude of scales is described as "stiff." A stiff system can arise in many different fields of physics, including fluid dynamics/aerodynamics, laboratory/space plasma physics, low Mach number flows, reactive flows, radiation hydrodynamics, and geophysical flows. One of the big challenges in solving such a stiff system using current-day computational resources lies in resolving time and length scales varying by several orders of magnitude. We introduce FLASH's preliminary implementation of a time-accurate JFNK-based implicit solver in the framework of FLASH's unsplit hydro solver.

Analyzing the cosmic variance limit of remote dipole measurements of the cosmic microwave background using the large-scale kinetic Sunyaev Zel'dovich effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Terrana, Alexandra; Johnson, Matthew C.; Harris, Mary-Jean, E-mail: aterrana@perimeterinstitute.ca, E-mail: mharris8@perimeterinstitute.ca, E-mail: mjohnson@perimeterinstitute.ca

Due to cosmic variance we cannot learn any more about large-scale inhomogeneities from the primary cosmic microwave background (CMB) alone. More information on large scales is essential for resolving large angular scale anomalies in the CMB. Here we consider cross correlating the large-scale kinetic Sunyaev Zel'dovich (kSZ) effect and probes of large-scale structure, a technique known as kSZ tomography. The statistically anisotropic component of the cross correlation encodes the CMB dipole as seen by free electrons throughout the observable Universe, providing information about long wavelength inhomogeneities. We compute the large angular scale power asymmetry, constructing the appropriate transfer functions, andmore » estimate the cosmic variance limited signal to noise for a variety of redshift bin configurations. The signal to noise is significant over a large range of power multipoles and numbers of bins. We present a simple mode counting argument indicating that kSZ tomography can be used to estimate more modes than the primary CMB on comparable scales. A basic forecast indicates that a first detection could be made with next-generation CMB experiments and galaxy surveys. This paper motivates a more systematic investigation of how close to the cosmic variance limit it will be possible to get with future observations.« less

Progress in fast, accurate multi-scale climate simulations

DOE PAGES

Collins, W. D.; Johansen, H.; Evans, K. J.; ...

2015-06-01

We present a survey of physical and computational techniques that have the potential to contribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth with these computational improvements include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enablingmore » improved accuracy and fidelity in simulation of dynamics and allowing more complete representations of climate features at the global scale. At the same time, partnerships with computer science teams have focused on taking advantage of evolving computer architectures such as many-core processors and GPUs. As a result, approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.« less

Numerical Simulation of a High Mach Number Jet Flow

NASA Technical Reports Server (NTRS)

Hayder, M. Ehtesham; Turkel, Eli; Mankbadi, Reda R.

1993-01-01

The recent efforts to develop accurate numerical schemes for transition and turbulent flows are motivated, among other factors, by the need for accurate prediction of flow noise. The success of developing high speed civil transport plane (HSCT) is contingent upon our understanding and suppression of the jet exhaust noise. The radiated sound can be directly obtained by solving the full (time-dependent) compressible Navier-Stokes equations. However, this requires computational storage that is beyond currently available machines. This difficulty can be overcome by limiting the solution domain to the near field where the jet is nonlinear and then use acoustic analogy (e.g., Lighthill) to relate the far-field noise to the near-field sources. The later requires obtaining the time-dependent flow field. The other difficulty in aeroacoustics computations is that at high Reynolds numbers the turbulent flow has a large range of scales. Direct numerical simulations (DNS) cannot obtain all the scales of motion at high Reynolds number of technological interest. However, it is believed that the large scale structure is more efficient than the small-scale structure in radiating noise. Thus, one can model the small scales and calculate the acoustically active scales. The large scale structure in the noise-producing initial region of the jet can be viewed as a wavelike nature, the net radiated sound is the net cancellation after integration over space. As such, aeroacoustics computations are highly sensitive to errors in computing the sound sources. It is therefore essential to use a high-order numerical scheme to predict the flow field. The present paper presents the first step in a ongoing effort to predict jet noise. The emphasis here is in accurate prediction of the unsteady flow field. We solve the full time-dependent Navier-Stokes equations by a high order finite difference method. Time accurate spatial simulations of both plane and axisymmetric jet are presented. Jet Mach numbers of 1.5 and 2.1 are considered. Reynolds number in the simulations was about a million. Our numerical model is based on the 2-4 scheme by Gottlieb & Turkel. Bayliss et al. applied the 2-4 scheme in boundary layer computations. This scheme was also used by Ragab and Sheen to study the nonlinear development of supersonic instability waves in a mixing layer. In this study, we present two dimensional direct simulation results for both plane and axisymmetric jets. These results are compared with linear theory predictions. These computations were made for near nozzle exit region and velocity in spanwise/azimuthal direction was assumed to be zero.

Predictive wind turbine simulation with an adaptive lattice Boltzmann method for moving boundaries

NASA Astrophysics Data System (ADS)

Deiterding, Ralf; Wood, Stephen L.

2016-09-01

Operating horizontal axis wind turbines create large-scale turbulent wake structures that affect the power output of downwind turbines considerably. The computational prediction of this phenomenon is challenging as efficient low dissipation schemes are necessary that represent the vorticity production by the moving structures accurately and that are able to transport wakes without significant artificial decay over distances of several rotor diameters. We have developed a parallel adaptive lattice Boltzmann method for large eddy simulation of turbulent weakly compressible flows with embedded moving structures that considers these requirements rather naturally and enables first principle simulations of wake-turbine interaction phenomena at reasonable computational costs. The paper describes the employed computational techniques and presents validation simulations for the Mexnext benchmark experiments as well as simulations of the wake propagation in the Scaled Wind Farm Technology (SWIFT) array consisting of three Vestas V27 turbines in triangular arrangement.

Seismic data restoration with a fast L1 norm trust region method

NASA Astrophysics Data System (ADS)

Cao, Jingjie; Wang, Yanfei

2014-08-01

Seismic data restoration is a major strategy to provide reliable wavefield when field data dissatisfy the Shannon sampling theorem. Recovery by sparsity-promoting inversion often get sparse solutions of seismic data in a transformed domains, however, most methods for sparsity-promoting inversion are line-searching methods which are efficient but are inclined to obtain local solutions. Using trust region method which can provide globally convergent solutions is a good choice to overcome this shortcoming. A trust region method for sparse inversion has been proposed, however, the efficiency should be improved to suitable for large-scale computation. In this paper, a new L1 norm trust region model is proposed for seismic data restoration and a robust gradient projection method for solving the sub-problem is utilized. Numerical results of synthetic and field data demonstrate that the proposed trust region method can get excellent computation speed and is a viable alternative for large-scale computation.

Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge

PubMed Central

Gallicchio, Emilio; Deng, Nanjie; He, Peng; Wickstrom, Lauren; Perryman, Alexander L.; Santiago, Daniel N.; Forli, Stefano; Olson, Arthur J.; Levy, Ronald M.

2014-01-01

As part of the SAMPL4 blind challenge, filtered AutoDock Vina ligand docking predictions and large scale binding energy distribution analysis method binding free energy calculations have been applied to the virtual screening of a focused library of candidate binders to the LEDGF site of the HIV integrase protein. The computational protocol leveraged docking and high level atomistic models to improve enrichment. The enrichment factor of our blind predictions ranked best among all of the computational submissions, and second best overall. This work represents to our knowledge the first example of the application of an all-atom physics-based binding free energy model to large scale virtual screening. A total of 285 parallel Hamiltonian replica exchange molecular dynamics absolute protein-ligand binding free energy simulations were conducted starting from docked poses. The setup of the simulations was fully automated, calculations were distributed on multiple computing resources and were completed in a 6-weeks period. The accuracy of the docked poses and the inclusion of intramolecular strain and entropic losses in the binding free energy estimates were the major factors behind the success of the method. Lack of sufficient time and computing resources to investigate additional protonation states of the ligands was a major cause of mispredictions. The experiment demonstrated the applicability of binding free energy modeling to improve hit rates in challenging virtual screening of focused ligand libraries during lead optimization. PMID:24504704

Workflow management in large distributed systems

NASA Astrophysics Data System (ADS)

Legrand, I.; Newman, H.; Voicu, R.; Dobre, C.; Grigoras, C.

2011-12-01

The MonALISA (Monitoring Agents using a Large Integrated Services Architecture) framework provides a distributed service system capable of controlling and optimizing large-scale, data-intensive applications. An essential part of managing large-scale, distributed data-processing facilities is a monitoring system for computing facilities, storage, networks, and the very large number of applications running on these systems in near realtime. All this monitoring information gathered for all the subsystems is essential for developing the required higher-level services—the components that provide decision support and some degree of automated decisions—and for maintaining and optimizing workflow in large-scale distributed systems. These management and global optimization functions are performed by higher-level agent-based services. We present several applications of MonALISA's higher-level services including optimized dynamic routing, control, data-transfer scheduling, distributed job scheduling, dynamic allocation of storage resource to running jobs and automated management of remote services among a large set of grid facilities.

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

NASA Astrophysics Data System (ADS)

Lin, Youzuo; O'Malley, Daniel; Vesselinov, Velimir V.

2016-09-01

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace such that the dimensionality of the problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2-D and a random hydraulic conductivity field in 3-D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ˜101 to ˜102 in a multicore computational environment. Therefore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate to large-scale problems.

A fast boosting-based screening method for large-scale association study in complex traits with genetic heterogeneity.

PubMed

Wang, Lu-Yong; Fasulo, D

2006-01-01

Genome-wide association study for complex diseases will generate massive amount of single nucleotide polymorphisms (SNPs) data. Univariate statistical test (i.e. Fisher exact test) was used to single out non-associated SNPs. However, the disease-susceptible SNPs may have little marginal effects in population and are unlikely to retain after the univariate tests. Also, model-based methods are impractical for large-scale dataset. Moreover, genetic heterogeneity makes the traditional methods harder to identify the genetic causes of diseases. A more recent random forest method provides a more robust method for screening the SNPs in thousands scale. However, for more large-scale data, i.e., Affymetrix Human Mapping 100K GeneChip data, a faster screening method is required to screening SNPs in whole-genome large scale association analysis with genetic heterogeneity. We propose a boosting-based method for rapid screening in large-scale analysis of complex traits in the presence of genetic heterogeneity. It provides a relatively fast and fairly good tool for screening and limiting the candidate SNPs for further more complex computational modeling task.

The performance of low-cost commercial cloud computing as an alternative in computational chemistry.

PubMed

Thackston, Russell; Fortenberry, Ryan C

2015-05-05

The growth of commercial cloud computing (CCC) as a viable means of computational infrastructure is largely unexplored for the purposes of quantum chemistry. In this work, the PSI4 suite of computational chemistry programs is installed on five different types of Amazon World Services CCC platforms. The performance for a set of electronically excited state single-point energies is compared between these CCC platforms and typical, "in-house" physical machines. Further considerations are made for the number of cores or virtual CPUs (vCPUs, for the CCC platforms), but no considerations are made for full parallelization of the program (even though parallelization of the BLAS library is implemented), complete high-performance computing cluster utilization, or steal time. Even with this most pessimistic view of the computations, CCC resources are shown to be more cost effective for significant numbers of typical quantum chemistry computations. Large numbers of large computations are still best utilized by more traditional means, but smaller-scale research may be more effectively undertaken through CCC services. © 2015 Wiley Periodicals, Inc.

Large-scale expensive black-box function optimization

NASA Astrophysics Data System (ADS)

Rashid, Kashif; Bailey, William; Couët, Benoît

2012-09-01

This paper presents the application of an adaptive radial basis function method to a computationally expensive black-box reservoir simulation model of many variables. An iterative proxy-based scheme is used to tune the control variables, distributed for finer control over a varying number of intervals covering the total simulation period, to maximize asset NPV. The method shows that large-scale simulation-based function optimization of several hundred variables is practical and effective.

Large scale Brownian dynamics of confined suspensions of rigid particles

NASA Astrophysics Data System (ADS)

Sprinkle, Brennan; Balboa Usabiaga, Florencio; Patankar, Neelesh A.; Donev, Aleksandar

2017-12-01

We introduce methods for large-scale Brownian Dynamics (BD) simulation of many rigid particles of arbitrary shape suspended in a fluctuating fluid. Our method adds Brownian motion to the rigid multiblob method [F. Balboa Usabiaga et al., Commun. Appl. Math. Comput. Sci. 11(2), 217-296 (2016)] at a cost comparable to the cost of deterministic simulations. We demonstrate that we can efficiently generate deterministic and random displacements for many particles using preconditioned Krylov iterative methods, if kernel methods to efficiently compute the action of the Rotne-Prager-Yamakawa (RPY) mobility matrix and its "square" root are available for the given boundary conditions. These kernel operations can be computed with near linear scaling for periodic domains using the positively split Ewald method. Here we study particles partially confined by gravity above a no-slip bottom wall using a graphical processing unit implementation of the mobility matrix-vector product, combined with a preconditioned Lanczos iteration for generating Brownian displacements. We address a major challenge in large-scale BD simulations, capturing the stochastic drift term that arises because of the configuration-dependent mobility. Unlike the widely used Fixman midpoint scheme, our methods utilize random finite differences and do not require the solution of resistance problems or the computation of the action of the inverse square root of the RPY mobility matrix. We construct two temporal schemes which are viable for large-scale simulations, an Euler-Maruyama traction scheme and a trapezoidal slip scheme, which minimize the number of mobility problems to be solved per time step while capturing the required stochastic drift terms. We validate and compare these schemes numerically by modeling suspensions of boomerang-shaped particles sedimented near a bottom wall. Using the trapezoidal scheme, we investigate the steady-state active motion in dense suspensions of confined microrollers, whose height above the wall is set by a combination of thermal noise and active flows. We find the existence of two populations of active particles, slower ones closer to the bottom and faster ones above them, and demonstrate that our method provides quantitative accuracy even with relatively coarse resolutions of the particle geometry.

Wayfinding in Social Networks

NASA Astrophysics Data System (ADS)

Liben-Nowell, David

With the recent explosion of popularity of commercial social-networking sites like Facebook and MySpace, the size of social networks that can be studied scientifically has passed from the scale traditionally studied by sociologists and anthropologists to the scale of networks more typically studied by computer scientists. In this chapter, I will highlight a recent line of computational research into the modeling and analysis of the small-world phenomenon - the observation that typical pairs of people in a social network are connected by very short chains of intermediate friends - and the ability of members of a large social network to collectively find efficient routes to reach individuals in the network. I will survey several recent mathematical models of social networks that account for these phenomena, with an emphasis on both the provable properties of these social-network models and the empirical validation of the models against real large-scale social-network data.

Computer code for the prediction of nozzle admittance

NASA Technical Reports Server (NTRS)

Nguyen, Thong V.

1988-01-01

A procedure which can accurately characterize injector designs for large thrust (0.5 to 1.5 million pounds), high pressure (500 to 3000 psia) LOX/hydrocarbon engines is currently under development. In this procedure, a rectangular cross-sectional combustion chamber is to be used to simulate the lower traverse frequency modes of the large scale chamber. The chamber will be sized so that the first width mode of the rectangular chamber corresponds to the first tangential mode of the full-scale chamber. Test data to be obtained from the rectangular chamber will be used to assess the full scale engine stability. This requires the development of combustion stability models for rectangular chambers. As part of the combustion stability model development, a computer code, NOAD based on existing theory was developed to calculate the nozzle admittances for both rectangular and axisymmetric nozzles. This code is detailed.

On decentralized control of large-scale systems

NASA Technical Reports Server (NTRS)

Siljak, D. D.

1978-01-01

A scheme is presented for decentralized control of large-scale linear systems which are composed of a number of interconnected subsystems. By ignoring the interconnections, local feedback controls are chosen to optimize each decoupled subsystem. Conditions are provided to establish compatibility of the individual local controllers and achieve stability of the overall system. Besides computational simplifications, the scheme is attractive because of its structural features and the fact that it produces a robust decentralized regulator for large dynamic systems, which can tolerate a wide range of nonlinearities and perturbations among the subsystems.

Assessing the weighted multi-objective adaptive surrogate model optimization to derive large-scale reservoir operating rules with sensitivity analysis

NASA Astrophysics Data System (ADS)

Zhang, Jingwen; Wang, Xu; Liu, Pan; Lei, Xiaohui; Li, Zejun; Gong, Wei; Duan, Qingyun; Wang, Hao

2017-01-01

The optimization of large-scale reservoir system is time-consuming due to its intrinsic characteristics of non-commensurable objectives and high dimensionality. One way to solve the problem is to employ an efficient multi-objective optimization algorithm in the derivation of large-scale reservoir operating rules. In this study, the Weighted Multi-Objective Adaptive Surrogate Model Optimization (WMO-ASMO) algorithm is used. It consists of three steps: (1) simplifying the large-scale reservoir operating rules by the aggregation-decomposition model, (2) identifying the most sensitive parameters through multivariate adaptive regression splines (MARS) for dimensional reduction, and (3) reducing computational cost and speeding the searching process by WMO-ASMO, embedded with weighted non-dominated sorting genetic algorithm II (WNSGAII). The intercomparison of non-dominated sorting genetic algorithm (NSGAII), WNSGAII and WMO-ASMO are conducted in the large-scale reservoir system of Xijiang river basin in China. Results indicate that: (1) WNSGAII surpasses NSGAII in the median of annual power generation, increased by 1.03% (from 523.29 to 528.67 billion kW h), and the median of ecological index, optimized by 3.87% (from 1.879 to 1.809) with 500 simulations, because of the weighted crowding distance and (2) WMO-ASMO outperforms NSGAII and WNSGAII in terms of better solutions (annual power generation (530.032 billion kW h) and ecological index (1.675)) with 1000 simulations and computational time reduced by 25% (from 10 h to 8 h) with 500 simulations. Therefore, the proposed method is proved to be more efficient and could provide better Pareto frontier.

Modelling the large-scale redshift-space 3-point correlation function of galaxies

NASA Astrophysics Data System (ADS)

Slepian, Zachary; Eisenstein, Daniel J.

2017-08-01

We present a configuration-space model of the large-scale galaxy 3-point correlation function (3PCF) based on leading-order perturbation theory and including redshift-space distortions (RSD). This model should be useful in extracting distance-scale information from the 3PCF via the baryon acoustic oscillation method. We include the first redshift-space treatment of biasing by the baryon-dark matter relative velocity. Overall, on large scales the effect of RSD is primarily a renormalization of the 3PCF that is roughly independent of both physical scale and triangle opening angle; for our adopted Ωm and bias values, the rescaling is a factor of ˜1.8. We also present an efficient scheme for computing 3PCF predictions from our model, important for allowing fast exploration of the space of cosmological parameters in future analyses.

Large-Scale Optimization for Bayesian Inference in Complex Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Willcox, Karen; Marzouk, Youssef

2013-11-12

The SAGUARO (Scalable Algorithms for Groundwater Uncertainty Analysis and Robust Optimization) Project focused on the development of scalable numerical algorithms for large-scale Bayesian inversion in complex systems that capitalize on advances in large-scale simulation-based optimization and inversion methods. The project was a collaborative effort among MIT, the University of Texas at Austin, Georgia Institute of Technology, and Sandia National Laboratories. The research was directed in three complementary areas: efficient approximations of the Hessian operator, reductions in complexity of forward simulations via stochastic spectral approximations and model reduction, and employing large-scale optimization concepts to accelerate sampling. The MIT--Sandia component of themore » SAGUARO Project addressed the intractability of conventional sampling methods for large-scale statistical inverse problems by devising reduced-order models that are faithful to the full-order model over a wide range of parameter values; sampling then employs the reduced model rather than the full model, resulting in very large computational savings. Results indicate little effect on the computed posterior distribution. On the other hand, in the Texas--Georgia Tech component of the project, we retain the full-order model, but exploit inverse problem structure (adjoint-based gradients and partial Hessian information of the parameter-to-observation map) to implicitly extract lower dimensional information on the posterior distribution; this greatly speeds up sampling methods, so that fewer sampling points are needed. We can think of these two approaches as ``reduce then sample'' and ``sample then reduce.'' In fact, these two approaches are complementary, and can be used in conjunction with each other. Moreover, they both exploit deterministic inverse problem structure, in the form of adjoint-based gradient and Hessian information of the underlying parameter-to-observation map, to achieve their speedups.« less

Final Report: Large-Scale Optimization for Bayesian Inference in Complex Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghattas, Omar

2013-10-15

The SAGUARO (Scalable Algorithms for Groundwater Uncertainty Analysis and Robust Optimiza- tion) Project focuses on the development of scalable numerical algorithms for large-scale Bayesian inversion in complex systems that capitalize on advances in large-scale simulation-based optimiza- tion and inversion methods. Our research is directed in three complementary areas: efficient approximations of the Hessian operator, reductions in complexity of forward simulations via stochastic spectral approximations and model reduction, and employing large-scale optimization concepts to accelerate sampling. Our efforts are integrated in the context of a challenging testbed problem that considers subsurface reacting flow and transport. The MIT component of the SAGUAROmore » Project addresses the intractability of conventional sampling methods for large-scale statistical inverse problems by devising reduced-order models that are faithful to the full-order model over a wide range of parameter values; sampling then employs the reduced model rather than the full model, resulting in very large computational savings. Results indicate little effect on the computed posterior distribution. On the other hand, in the Texas-Georgia Tech component of the project, we retain the full-order model, but exploit inverse problem structure (adjoint-based gradients and partial Hessian information of the parameter-to- observation map) to implicitly extract lower dimensional information on the posterior distribution; this greatly speeds up sampling methods, so that fewer sampling points are needed. We can think of these two approaches as "reduce then sample" and "sample then reduce." In fact, these two approaches are complementary, and can be used in conjunction with each other. Moreover, they both exploit deterministic inverse problem structure, in the form of adjoint-based gradient and Hessian information of the underlying parameter-to-observation map, to achieve their speedups.« less

General relativistic corrections to the weak lensing convergence power spectrum

NASA Astrophysics Data System (ADS)

Giblin, John T.; Mertens, James B.; Starkman, Glenn D.; Zentner, Andrew R.

2017-11-01

We compute the weak lensing convergence power spectrum, Cℓκκ, in a dust-filled universe using fully nonlinear general relativistic simulations. The spectrum is then compared to more standard, approximate calculations by computing the Bardeen (Newtonian) potentials in linearized gravity and partially utilizing the Born approximation. We find corrections to the angular power spectrum amplitude of order ten percent at very large angular scales, ℓ˜2 - 3 , and percent-level corrections at intermediate angular scales of ℓ˜20 - 30 .

Software Engineering for Scientific Computer Simulations

NASA Astrophysics Data System (ADS)

Post, Douglass E.; Henderson, Dale B.; Kendall, Richard P.; Whitney, Earl M.

2004-11-01

Computer simulation is becoming a very powerful tool for analyzing and predicting the performance of fusion experiments. Simulation efforts are evolving from including only a few effects to many effects, from small teams with a few people to large teams, and from workstations and small processor count parallel computers to massively parallel platforms. Successfully making this transition requires attention to software engineering issues. We report on the conclusions drawn from a number of case studies of large scale scientific computing projects within DOE, academia and the DoD. The major lessons learned include attention to sound project management including setting reasonable and achievable requirements, building a good code team, enforcing customer focus, carrying out verification and validation and selecting the optimum computational mathematics approaches.

Maestro: an orchestration framework for large-scale WSN simulations.

PubMed

Riliskis, Laurynas; Osipov, Evgeny

2014-03-18

Contemporary wireless sensor networks (WSNs) have evolved into large and complex systems and are one of the main technologies used in cyber-physical systems and the Internet of Things. Extensive research on WSNs has led to the development of diverse solutions at all levels of software architecture, including protocol stacks for communications. This multitude of solutions is due to the limited computational power and restrictions on energy consumption that must be accounted for when designing typical WSN systems. It is therefore challenging to develop, test and validate even small WSN applications, and this process can easily consume significant resources. Simulations are inexpensive tools for testing, verifying and generally experimenting with new technologies in a repeatable fashion. Consequently, as the size of the systems to be tested increases, so does the need for large-scale simulations. This article describes a tool called Maestro for the automation of large-scale simulation and investigates the feasibility of using cloud computing facilities for such task. Using tools that are built into Maestro, we demonstrate a feasible approach for benchmarking cloud infrastructure in order to identify cloud Virtual Machine (VM)instances that provide an optimal balance of performance and cost for a given simulation.

Large-scale image region documentation for fully automated image biomarker algorithm development and evaluation

PubMed Central

Reeves, Anthony P.; Xie, Yiting; Liu, Shuang

2017-01-01

Abstract. With the advent of fully automated image analysis and modern machine learning methods, there is a need for very large image datasets having documented segmentations for both computer algorithm training and evaluation. This paper presents a method and implementation for facilitating such datasets that addresses the critical issue of size scaling for algorithm validation and evaluation; current evaluation methods that are usually used in academic studies do not scale to large datasets. This method includes protocols for the documentation of many regions in very large image datasets; the documentation may be incrementally updated by new image data and by improved algorithm outcomes. This method has been used for 5 years in the context of chest health biomarkers from low-dose chest CT images that are now being used with increasing frequency in lung cancer screening practice. The lung scans are segmented into over 100 different anatomical regions, and the method has been applied to a dataset of over 20,000 chest CT images. Using this framework, the computer algorithms have been developed to achieve over 90% acceptable image segmentation on the complete dataset. PMID:28612037

A forward-advancing wave expansion method for numerical solution of large-scale sound propagation problems

NASA Astrophysics Data System (ADS)

Rolla, L. Barrera; Rice, H. J.

2006-09-01

In this paper a "forward-advancing" field discretization method suitable for solving the Helmholtz equation in large-scale problems is proposed. The forward wave expansion method (FWEM) is derived from a highly efficient discretization procedure based on interpolation of wave functions known as the wave expansion method (WEM). The FWEM computes the propagated sound field by means of an exclusively forward advancing solution, neglecting the backscattered field. It is thus analogous to methods such as the (one way) parabolic equation method (PEM) (usually discretized using standard finite difference or finite element methods). These techniques do not require the inversion of large system matrices and thus enable the solution of large-scale acoustic problems where backscatter is not of interest. Calculations using FWEM are presented for two propagation problems and comparisons to data computed with analytical and theoretical solutions and show this forward approximation to be highly accurate. Examples of sound propagation over a screen in upwind and downwind refracting atmospheric conditions at low nodal spacings (0.2 per wavelength in the propagation direction) are also included to demonstrate the flexibility and efficiency of the method.

Pynamic: the Python Dynamic Benchmark

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, G L; Ahn, D H; de Supinksi, B R

2007-07-10

Python is widely used in scientific computing to facilitate application development and to support features such as computational steering. Making full use of some of Python's popular features, which improve programmer productivity, leads to applications that access extremely high numbers of dynamically linked libraries (DLLs). As a result, some important Python-based applications severely stress a system's dynamic linking and loading capabilities and also cause significant difficulties for most development environment tools, such as debuggers. Furthermore, using the Python paradigm for large scale MPI-based applications can create significant file IO and further stress tools and operating systems. In this paper, wemore » present Pynamic, the first benchmark program to support configurable emulation of a wide-range of the DLL usage of Python-based applications for large scale systems. Pynamic has already accurately reproduced system software and tool issues encountered by important large Python-based scientific applications on our supercomputers. Pynamic provided insight for our system software and tool vendors, and our application developers, into the impact of several design decisions. As we describe the Pynamic benchmark, we will highlight some of the issues discovered in our large scale system software and tools using Pynamic.« less

Maestro: An Orchestration Framework for Large-Scale WSN Simulations

PubMed Central

Riliskis, Laurynas; Osipov, Evgeny

2014-01-01

Contemporary wireless sensor networks (WSNs) have evolved into large and complex systems and are one of the main technologies used in cyber-physical systems and the Internet of Things. Extensive research on WSNs has led to the development of diverse solutions at all levels of software architecture, including protocol stacks for communications. This multitude of solutions is due to the limited computational power and restrictions on energy consumption that must be accounted for when designing typical WSN systems. It is therefore challenging to develop, test and validate even small WSN applications, and this process can easily consume significant resources. Simulations are inexpensive tools for testing, verifying and generally experimenting with new technologies in a repeatable fashion. Consequently, as the size of the systems to be tested increases, so does the need for large-scale simulations. This article describes a tool called Maestro for the automation of large-scale simulation and investigates the feasibility of using cloud computing facilities for such task. Using tools that are built into Maestro, we demonstrate a feasible approach for benchmarking cloud infrastructure in order to identify cloud Virtual Machine (VM)instances that provide an optimal balance of performance and cost for a given simulation. PMID:24647123

ReSeqTools: an integrated toolkit for large-scale next-generation sequencing based resequencing analysis.

PubMed

He, W; Zhao, S; Liu, X; Dong, S; Lv, J; Liu, D; Wang, J; Meng, Z

2013-12-04

Large-scale next-generation sequencing (NGS)-based resequencing detects sequence variations, constructs evolutionary histories, and identifies phenotype-related genotypes. However, NGS-based resequencing studies generate extraordinarily large amounts of data, making computations difficult. Effective use and analysis of these data for NGS-based resequencing studies remains a difficult task for individual researchers. Here, we introduce ReSeqTools, a full-featured toolkit for NGS (Illumina sequencing)-based resequencing analysis, which processes raw data, interprets mapping results, and identifies and annotates sequence variations. ReSeqTools provides abundant scalable functions for routine resequencing analysis in different modules to facilitate customization of the analysis pipeline. ReSeqTools is designed to use compressed data files as input or output to save storage space and facilitates faster and more computationally efficient large-scale resequencing studies in a user-friendly manner. It offers abundant practical functions and generates useful statistics during the analysis pipeline, which significantly simplifies resequencing analysis. Its integrated algorithms and abundant sub-functions provide a solid foundation for special demands in resequencing projects. Users can combine these functions to construct their own pipelines for other purposes.

An accurate and computationally efficient algorithm for ground peak identification in large footprint waveform LiDAR data

NASA Astrophysics Data System (ADS)

Zhuang, Wei; Mountrakis, Giorgos

2014-09-01

Large footprint waveform LiDAR sensors have been widely used for numerous airborne studies. Ground peak identification in a large footprint waveform is a significant bottleneck in exploring full usage of the waveform datasets. In the current study, an accurate and computationally efficient algorithm was developed for ground peak identification, called Filtering and Clustering Algorithm (FICA). The method was evaluated on Land, Vegetation, and Ice Sensor (LVIS) waveform datasets acquired over Central NY. FICA incorporates a set of multi-scale second derivative filters and a k-means clustering algorithm in order to avoid detecting false ground peaks. FICA was tested in five different land cover types (deciduous trees, coniferous trees, shrub, grass and developed area) and showed more accurate results when compared to existing algorithms. More specifically, compared with Gaussian decomposition, the RMSE ground peak identification by FICA was 2.82 m (5.29 m for GD) in deciduous plots, 3.25 m (4.57 m for GD) in coniferous plots, 2.63 m (2.83 m for GD) in shrub plots, 0.82 m (0.93 m for GD) in grass plots, and 0.70 m (0.51 m for GD) in plots of developed areas. FICA performance was also relatively consistent under various slope and canopy coverage (CC) conditions. In addition, FICA showed better computational efficiency compared to existing methods. FICA's major computational and accuracy advantage is a result of the adopted multi-scale signal processing procedures that concentrate on local portions of the signal as opposed to the Gaussian decomposition that uses a curve-fitting strategy applied in the entire signal. The FICA algorithm is a good candidate for large-scale implementation on future space-borne waveform LiDAR sensors.

Trapped-Ion Quantum Logic with Global Radiation Fields.

PubMed

Weidt, S; Randall, J; Webster, S C; Lake, K; Webb, A E; Cohen, I; Navickas, T; Lekitsch, B; Retzker, A; Hensinger, W K

2016-11-25

Trapped ions are a promising tool for building a large-scale quantum computer. However, the number of required radiation fields for the realization of quantum gates in any proposed ion-based architecture scales with the number of ions within the quantum computer, posing a major obstacle when imagining a device with millions of ions. Here, we present a fundamentally different approach for trapped-ion quantum computing where this detrimental scaling vanishes. The method is based on individually controlled voltages applied to each logic gate location to facilitate the actual gate operation analogous to a traditional transistor architecture within a classical computer processor. To demonstrate the key principle of this approach we implement a versatile quantum gate method based on long-wavelength radiation and use this method to generate a maximally entangled state of two quantum engineered clock qubits with fidelity 0.985(12). This quantum gate also constitutes a simple-to-implement tool for quantum metrology, sensing, and simulation.

Theoretical Definition of Instructor Role in Computer-Managed Instruction.

ERIC Educational Resources Information Center

McCombs, Barbara L.; Dobrovolny, Jacqueline L.

This report describes the results of a theoretical analysis of the ideal role functions of the Computer Managed Instruction (CMI) instructor. Concepts relevant to instructor behavior are synthesized from both cognitive and operant learning theory perspectives, and the roles allocated to instructors by seven large-scale operational CMI systems are…

Quake Final Video

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

Critical infrastructures of the world are at constant risks for earthquakes. Most of these critical structures are designed using archaic, seismic, simulation methods that were built from early digital computers from the 1970s. Idaho National Laboratory’s Seismic Research Group are working to modernize the simulation methods through computational research and large-scale laboratory experiments.

On mechanics and material length scales of failure in heterogeneous interfaces using a finite strain high performance solver

NASA Astrophysics Data System (ADS)

Mosby, Matthew; Matouš, Karel

2015-12-01

Three-dimensional simulations capable of resolving the large range of spatial scales, from the failure-zone thickness up to the size of the representative unit cell, in damage mechanics problems of particle reinforced adhesives are presented. We show that resolving this wide range of scales in complex three-dimensional heterogeneous morphologies is essential in order to apprehend fracture characteristics, such as strength, fracture toughness and shape of the softening profile. Moreover, we show that computations that resolve essential physical length scales capture the particle size-effect in fracture toughness, for example. In the vein of image-based computational materials science, we construct statistically optimal unit cells containing hundreds to thousands of particles. We show that these statistically representative unit cells are capable of capturing the first- and second-order probability functions of a given data-source with better accuracy than traditional inclusion packing techniques. In order to accomplish these large computations, we use a parallel multiscale cohesive formulation and extend it to finite strains including damage mechanics. The high-performance parallel computational framework is executed on up to 1024 processing cores. A mesh convergence and a representative unit cell study are performed. Quantifying the complex damage patterns in simulations consisting of tens of millions of computational cells and millions of highly nonlinear equations requires data-mining the parallel simulations, and we propose two damage metrics to quantify the damage patterns. A detailed study of volume fraction and filler size on the macroscopic traction-separation response of heterogeneous adhesives is presented.

SOURCE EXPLORER: Towards Web Browser Based Tools for Astronomical Source Visualization and Analysis

NASA Astrophysics Data System (ADS)

Young, M. D.; Hayashi, S.; Gopu, A.

2014-05-01

As a new generation of large format, high-resolution imagers come online (ODI, DECAM, LSST, etc.) we are faced with the daunting prospect of astronomical images containing upwards of hundreds of thousands of identifiable sources. Visualizing and interacting with such large datasets using traditional astronomical tools appears to be unfeasible, and a new approach is required. We present here a method for the display and analysis of arbitrarily large source datasets using dynamically scaling levels of detail, enabling scientists to rapidly move from large-scale spatial overviews down to the level of individual sources and everything in-between. Based on the recognized standards of HTML5+JavaScript, we enable observers and archival users to interact with their images and sources from any modern computer without having to install specialized software. We demonstrate the ability to produce large-scale source lists from the images themselves, as well as overlaying data from publicly available source ( 2MASS, GALEX, SDSS, etc.) or user provided source lists. A high-availability cluster of computational nodes allows us to produce these source maps on demand and customized based on user input. User-generated source lists and maps are persistent across sessions and are available for further plotting, analysis, refinement, and culling.

Reducing computational costs in large scale 3D EIT by using a sparse Jacobian matrix with block-wise CGLS reconstruction.

PubMed

Yang, C L; Wei, H Y; Adler, A; Soleimani, M

2013-06-01

Electrical impedance tomography (EIT) is a fast and cost-effective technique to provide a tomographic conductivity image of a subject from boundary current-voltage data. This paper proposes a time and memory efficient method for solving a large scale 3D EIT inverse problem using a parallel conjugate gradient (CG) algorithm. The 3D EIT system with a large number of measurement data can produce a large size of Jacobian matrix; this could cause difficulties in computer storage and the inversion process. One of challenges in 3D EIT is to decrease the reconstruction time and memory usage, at the same time retaining the image quality. Firstly, a sparse matrix reduction technique is proposed using thresholding to set very small values of the Jacobian matrix to zero. By adjusting the Jacobian matrix into a sparse format, the element with zeros would be eliminated, which results in a saving of memory requirement. Secondly, a block-wise CG method for parallel reconstruction has been developed. The proposed method has been tested using simulated data as well as experimental test samples. Sparse Jacobian with a block-wise CG enables the large scale EIT problem to be solved efficiently. Image quality measures are presented to quantify the effect of sparse matrix reduction in reconstruction results.

Really Large Scale Computer Graphic Projection Using Lasers and Laser Substitutes

NASA Astrophysics Data System (ADS)

Rother, Paul

1989-07-01

This paper reflects on past laser projects to display vector scanned computer graphic images onto very large and irregular surfaces. Since the availability of microprocessors and high powered visible lasers, very large scale computer graphics projection have become a reality. Due to the independence from a focusing lens, lasers easily project onto distant and irregular surfaces and have been used for amusement parks, theatrical performances, concert performances, industrial trade shows and dance clubs. Lasers have been used to project onto mountains, buildings, 360° globes, clouds of smoke and water. These methods have proven successful in installations at: Epcot Theme Park in Florida; Stone Mountain Park in Georgia; 1984 Olympics in Los Angeles; hundreds of Corporate trade shows and thousands of musical performances. Using new ColorRayTM technology, the use of costly and fragile lasers is no longer necessary. Utilizing fiber optic technology, the functionality of lasers can be duplicated for new and exciting projection possibilities. The use of ColorRayTM technology has enjoyed worldwide recognition in conjunction with Pink Floyd and George Michaels' world wide tours.

Scientific Services on the Cloud

NASA Astrophysics Data System (ADS)

Chapman, David; Joshi, Karuna P.; Yesha, Yelena; Halem, Milt; Yesha, Yaacov; Nguyen, Phuong

Scientific Computing was one of the first every applications for parallel and distributed computation. To this date, scientific applications remain some of the most compute intensive, and have inspired creation of petaflop compute infrastructure such as the Oak Ridge Jaguar and Los Alamos RoadRunner. Large dedicated hardware infrastructure has become both a blessing and a curse to the scientific community. Scientists are interested in cloud computing for much the same reason as businesses and other professionals. The hardware is provided, maintained, and administrated by a third party. Software abstraction and virtualization provide reliability, and fault tolerance. Graduated fees allow for multi-scale prototyping and execution. Cloud computing resources are only a few clicks away, and by far the easiest high performance distributed platform to gain access to. There may still be dedicated infrastructure for ultra-scale science, but the cloud can easily play a major part of the scientific computing initiative.

Computational aerodynamics development and outlook /Dryden Lecture in Research for 1979/

NASA Technical Reports Server (NTRS)

Chapman, D. R.

1979-01-01

Some past developments and current examples of computational aerodynamics are briefly reviewed. An assessment is made of the requirements on future computer memory and speed imposed by advanced numerical simulations, giving emphasis to the Reynolds averaged Navier-Stokes equations and to turbulent eddy simulations. Experimental scales of turbulence structure are used to determine the mesh spacings required to adequately resolve turbulent energy and shear. Assessment also is made of the changing market environment for developing future large computers, and of the projections of micro-electronics memory and logic technology that affect future computer capability. From the two assessments, estimates are formed of the future time scale in which various advanced types of aerodynamic flow simulations could become feasible. Areas of research judged especially relevant to future developments are noted.

3D fast adaptive correlation imaging for large-scale gravity data based on GPU computation

NASA Astrophysics Data System (ADS)

Chen, Z.; Meng, X.; Guo, L.; Liu, G.

2011-12-01

In recent years, large scale gravity data sets have been collected and employed to enhance gravity problem-solving abilities of tectonics studies in China. Aiming at the large scale data and the requirement of rapid interpretation, previous authors have carried out a lot of work, including the fast gradient module inversion and Euler deconvolution depth inversion ,3-D physical property inversion using stochastic subspaces and equivalent storage, fast inversion using wavelet transforms and a logarithmic barrier method. So it can be say that 3-D gravity inversion has been greatly improved in the last decade. Many authors added many different kinds of priori information and constraints to deal with nonuniqueness using models composed of a large number of contiguous cells of unknown property and obtained good results. However, due to long computation time, instability and other shortcomings, 3-D physical property inversion has not been widely applied to large-scale data yet. In order to achieve 3-D interpretation with high efficiency and precision for geological and ore bodies and obtain their subsurface distribution, there is an urgent need to find a fast and efficient inversion method for large scale gravity data. As an entirely new geophysical inversion method, 3D correlation has a rapid development thanks to the advantage of requiring no a priori information and demanding small amount of computer memory. This method was proposed to image the distribution of equivalent excess masses of anomalous geological bodies with high resolution both longitudinally and transversely. In order to tranform the equivalence excess masses into real density contrasts, we adopt the adaptive correlation imaging for gravity data. After each 3D correlation imaging, we change the equivalence into density contrasts according to the linear relationship, and then carry out forward gravity calculation for each rectangle cells. Next, we compare the forward gravity data with real data, and comtinue to perform 3D correlation imaging for the redisual gravity data. After several iterations, we can obtain a satisfactoy results. Newly developed general purpose computing technology from Nvidia GPU (Graphics Processing Unit) has been put into practice and received widespread attention in many areas. Based on the GPU programming mode and two parallel levels, five CPU loops for the main computation of 3D correlation imaging are converted into three loops in GPU kernel functions, thus achieving GPU/CPU collaborative computing. The two inner loops are defined as the dimensions of blocks and the three outer loops are defined as the dimensions of threads, thus realizing the double loop block calculation. Theoretical and real gravity data tests show that results are reliable and the computing time is greatly reduced. Acknowledgments We acknowledge the financial support of Sinoprobe project (201011039 and 201011049-03), the Fundamental Research Funds for the Central Universities (2010ZY26 and 2011PY0183), the National Natural Science Foundation of China (41074095) and the Open Project of State Key Laboratory of Geological Processes and Mineral Resources (GPMR0945).

GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations

NASA Astrophysics Data System (ADS)

Jia, Weile; Wang, Jue; Chi, Xuebin; Wang, Lin-Wang

2017-02-01

LS3DF, namely linear scaling three-dimensional fragment method, is an efficient linear scaling ab initio total energy electronic structure calculation code based on a divide-and-conquer strategy. In this paper, we present our GPU implementation of the LS3DF code. Our test results show that the GPU code can calculate systems with about ten thousand atoms fully self-consistently in the order of 10 min using thousands of computing nodes. This makes the electronic structure calculations of 10,000-atom nanosystems routine work. This speed is 4.5-6 times faster than the CPU calculations using the same number of nodes on the Titan machine in the Oak Ridge leadership computing facility (OLCF). Such speedup is achieved by (a) carefully re-designing of the computationally heavy kernels; (b) redesign of the communication pattern for heterogeneous supercomputers.

Enabling Diverse Software Stacks on Supercomputers using High Performance Virtual Clusters.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Younge, Andrew J.; Pedretti, Kevin; Grant, Ryan

While large-scale simulations have been the hallmark of the High Performance Computing (HPC) community for decades, Large Scale Data Analytics (LSDA) workloads are gaining attention within the scientific community not only as a processing component to large HPC simulations, but also as standalone scientific tools for knowledge discovery. With the path towards Exascale, new HPC runtime systems are also emerging in a way that differs from classical distributed com- puting models. However, system software for such capabilities on the latest extreme-scale DOE supercomputing needs to be enhanced to more appropriately support these types of emerging soft- ware ecosystems. In thismore » paper, we propose the use of Virtual Clusters on advanced supercomputing resources to enable systems to support not only HPC workloads, but also emerging big data stacks. Specifi- cally, we have deployed the KVM hypervisor within Cray's Compute Node Linux on a XC-series supercomputer testbed. We also use libvirt and QEMU to manage and provision VMs directly on compute nodes, leveraging Ethernet-over-Aries network emulation. To our knowledge, this is the first known use of KVM on a true MPP supercomputer. We investigate the overhead our solution using HPC benchmarks, both evaluating single-node performance as well as weak scaling of a 32-node virtual cluster. Overall, we find single node performance of our solution using KVM on a Cray is very efficient with near-native performance. However overhead increases by up to 20% as virtual cluster size increases, due to limitations of the Ethernet-over-Aries bridged network. Furthermore, we deploy Apache Spark with large data analysis workloads in a Virtual Cluster, ef- fectively demonstrating how diverse software ecosystems can be supported by High Performance Virtual Clusters.« less

Efficient coarse simulation of a growing avascular tumor

PubMed Central

Kavousanakis, Michail E.; Liu, Ping; Boudouvis, Andreas G.; Lowengrub, John; Kevrekidis, Ioannis G.

2013-01-01

The subject of this work is the development and implementation of algorithms which accelerate the simulation of early stage tumor growth models. Among the different computational approaches used for the simulation of tumor progression, discrete stochastic models (e.g., cellular automata) have been widely used to describe processes occurring at the cell and subcell scales (e.g., cell-cell interactions and signaling processes). To describe macroscopic characteristics (e.g., morphology) of growing tumors, large numbers of interacting cells must be simulated. However, the high computational demands of stochastic models make the simulation of large-scale systems impractical. Alternatively, continuum models, which can describe behavior at the tumor scale, often rely on phenomenological assumptions in place of rigorous upscaling of microscopic models. This limits their predictive power. In this work, we circumvent the derivation of closed macroscopic equations for the growing cancer cell populations; instead, we construct, based on the so-called “equation-free” framework, a computational superstructure, which wraps around the individual-based cell-level simulator and accelerates the computations required for the study of the long-time behavior of systems involving many interacting cells. The microscopic model, e.g., a cellular automaton, which simulates the evolution of cancer cell populations, is executed for relatively short time intervals, at the end of which coarse-scale information is obtained. These coarse variables evolve on slower time scales than each individual cell in the population, enabling the application of forward projection schemes, which extrapolate their values at later times. This technique is referred to as coarse projective integration. Increasing the ratio of projection times to microscopic simulator execution times enhances the computational savings. Crucial accuracy issues arising for growing tumors with radial symmetry are addressed by applying the coarse projective integration scheme in a cotraveling (cogrowing) frame. As a proof of principle, we demonstrate that the application of this scheme yields highly accurate solutions, while preserving the computational savings of coarse projective integration. PMID:22587128

Decentralized state estimation for a large-scale spatially interconnected system.

PubMed

Liu, Huabo; Yu, Haisheng

2018-03-01

A decentralized state estimator is derived for the spatially interconnected systems composed of many subsystems with arbitrary connection relations. An optimization problem on the basis of linear matrix inequality (LMI) is constructed for the computations of improved subsystem parameter matrices. Several computationally effective approaches are derived which efficiently utilize the block-diagonal characteristic of system parameter matrices and the sparseness of subsystem connection matrix. Moreover, this decentralized state estimator is proved to converge to a stable system and obtain a bounded covariance matrix of estimation errors under certain conditions. Numerical simulations show that the obtained decentralized state estimator is attractive in the synthesis of a large-scale networked system. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

Capturing remote mixing due to internal tides using multi-scale modeling tool: SOMAR-LES

NASA Astrophysics Data System (ADS)

Santilli, Edward; Chalamalla, Vamsi; Scotti, Alberto; Sarkar, Sutanu

2016-11-01

Internal tides that are generated during the interaction of an oscillating barotropic tide with the bottom bathymetry dissipate only a fraction of their energy near the generation region. The rest is radiated away in the form of low- high-mode internal tides. These internal tides dissipate energy at remote locations when they interact with the upper ocean pycnocline, continental slope, and large scale eddies. Capturing the wide range of length and time scales involved during the life-cycle of internal tides is computationally very expensive. A recently developed multi-scale modeling tool called SOMAR-LES combines the adaptive grid refinement features of SOMAR with the turbulence modeling features of a Large Eddy Simulation (LES) to capture multi-scale processes at a reduced computational cost. Numerical simulations of internal tide generation at idealized bottom bathymetries are performed to demonstrate this multi-scale modeling technique. Although each of the remote mixing phenomena have been considered independently in previous studies, this work aims to capture remote mixing processes during the life cycle of an internal tide in more realistic settings, by allowing multi-level (coarse and fine) grids to co-exist and exchange information during the time stepping process.

Large-scale parallel genome assembler over cloud computing environment.

PubMed

Das, Arghya Kusum; Koppa, Praveen Kumar; Goswami, Sayan; Platania, Richard; Park, Seung-Jong

2017-06-01

The size of high throughput DNA sequencing data has already reached the terabyte scale. To manage this huge volume of data, many downstream sequencing applications started using locality-based computing over different cloud infrastructures to take advantage of elastic (pay as you go) resources at a lower cost. However, the locality-based programming model (e.g. MapReduce) is relatively new. Consequently, developing scalable data-intensive bioinformatics applications using this model and understanding the hardware environment that these applications require for good performance, both require further research. In this paper, we present a de Bruijn graph oriented Parallel Giraph-based Genome Assembler (GiGA), as well as the hardware platform required for its optimal performance. GiGA uses the power of Hadoop (MapReduce) and Giraph (large-scale graph analysis) to achieve high scalability over hundreds of compute nodes by collocating the computation and data. GiGA achieves significantly higher scalability with competitive assembly quality compared to contemporary parallel assemblers (e.g. ABySS and Contrail) over traditional HPC cluster. Moreover, we show that the performance of GiGA is significantly improved by using an SSD-based private cloud infrastructure over traditional HPC cluster. We observe that the performance of GiGA on 256 cores of this SSD-based cloud infrastructure closely matches that of 512 cores of traditional HPC cluster.

GPU-Accelerated Large-Scale Electronic Structure Theory on Titan with a First-Principles All-Electron Code

NASA Astrophysics Data System (ADS)

Huhn, William Paul; Lange, Björn; Yu, Victor; Blum, Volker; Lee, Seyong; Yoon, Mina

Density-functional theory has been well established as the dominant quantum-mechanical computational method in the materials community. Large accurate simulations become very challenging on small to mid-scale computers and require high-performance compute platforms to succeed. GPU acceleration is one promising approach. In this talk, we present a first implementation of all-electron density-functional theory in the FHI-aims code for massively parallel GPU-based platforms. Special attention is paid to the update of the density and to the integration of the Hamiltonian and overlap matrices, realized in a domain decomposition scheme on non-uniform grids. The initial implementation scales well across nodes on ORNL's Titan Cray XK7 supercomputer (8 to 64 nodes, 16 MPI ranks/node) and shows an overall speed up in runtime due to utilization of the K20X Tesla GPUs on each Titan node of 1.4x, with the charge density update showing a speed up of 2x. Further acceleration opportunities will be discussed. Work supported by the LDRD Program of ORNL managed by UT-Battle, LLC, for the U.S. DOE and by the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

A qualitative analysis of bus simulator training on transit incidents : a case study in Florida. [Summary].

DOT National Transportation Integrated Search

2013-01-01

The simulator was once a very expensive, large-scale mechanical device for training military pilots or astronauts. Modern computers, linking sophisticated software and large-screen displays, have yielded simulators for the desktop or configured as sm...

Supercomputer optimizations for stochastic optimal control applications

NASA Technical Reports Server (NTRS)

Chung, Siu-Leung; Hanson, Floyd B.; Xu, Huihuang

1991-01-01

Supercomputer optimizations for a computational method of solving stochastic, multibody, dynamic programming problems are presented. The computational method is valid for a general class of optimal control problems that are nonlinear, multibody dynamical systems, perturbed by general Markov noise in continuous time, i.e., nonsmooth Gaussian as well as jump Poisson random white noise. Optimization techniques for vector multiprocessors or vectorizing supercomputers include advanced data structures, loop restructuring, loop collapsing, blocking, and compiler directives. These advanced computing techniques and superconducting hardware help alleviate Bellman's curse of dimensionality in dynamic programming computations, by permitting the solution of large multibody problems. Possible applications include lumped flight dynamics models for uncertain environments, such as large scale and background random aerospace fluctuations.

Eigensolver for a Sparse, Large Hermitian Matrix

NASA Technical Reports Server (NTRS)

Tisdale, E. Robert; Oyafuso, Fabiano; Klimeck, Gerhard; Brown, R. Chris

2003-01-01

A parallel-processing computer program finds a few eigenvalues in a sparse Hermitian matrix that contains as many as 100 million diagonal elements. This program finds the eigenvalues faster, using less memory, than do other, comparable eigensolver programs. This program implements a Lanczos algorithm in the American National Standards Institute/ International Organization for Standardization (ANSI/ISO) C computing language, using the Message Passing Interface (MPI) standard to complement an eigensolver in PARPACK. [PARPACK (Parallel Arnoldi Package) is an extension, to parallel-processing computer architectures, of ARPACK (Arnoldi Package), which is a collection of Fortran 77 subroutines that solve large-scale eigenvalue problems.] The eigensolver runs on Beowulf clusters of computers at the Jet Propulsion Laboratory (JPL).

TomoMiner and TomoMinerCloud: A software platform for large-scale subtomogram structural analysis

PubMed Central

Frazier, Zachary; Xu, Min; Alber, Frank

2017-01-01

SUMMARY Cryo-electron tomography (cryoET) captures the 3D electron density distribution of macromolecular complexes in close to native state. With the rapid advance of cryoET acquisition technologies, it is possible to generate large numbers (>100,000) of subtomograms, each containing a macromolecular complex. Often, these subtomograms represent a heterogeneous sample due to variations in structure and composition of a complex in situ form or because particles are a mixture of different complexes. In this case subtomograms must be classified. However, classification of large numbers of subtomograms is a time-intensive task and often a limiting bottleneck. This paper introduces an open source software platform, TomoMiner, for large-scale subtomogram classification, template matching, subtomogram averaging, and alignment. Its scalable and robust parallel processing allows efficient classification of tens to hundreds of thousands of subtomograms. Additionally, TomoMiner provides a pre-configured TomoMinerCloud computing service permitting users without sufficient computing resources instant access to TomoMiners high-performance features. PMID:28552576

Numerical Technology for Large-Scale Computational Electromagnetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharpe, R; Champagne, N; White, D

The key bottleneck of implicit computational electromagnetics tools for large complex geometries is the solution of the resulting linear system of equations. The goal of this effort was to research and develop critical numerical technology that alleviates this bottleneck for large-scale computational electromagnetics (CEM). The mathematical operators and numerical formulations used in this arena of CEM yield linear equations that are complex valued, unstructured, and indefinite. Also, simultaneously applying multiple mathematical modeling formulations to different portions of a complex problem (hybrid formulations) results in a mixed structure linear system, further increasing the computational difficulty. Typically, these hybrid linear systems aremore » solved using a direct solution method, which was acceptable for Cray-class machines but does not scale adequately for ASCI-class machines. Additionally, LLNL's previously existing linear solvers were not well suited for the linear systems that are created by hybrid implicit CEM codes. Hence, a new approach was required to make effective use of ASCI-class computing platforms and to enable the next generation design capabilities. Multiple approaches were investigated, including the latest sparse-direct methods developed by our ASCI collaborators. In addition, approaches that combine domain decomposition (or matrix partitioning) with general-purpose iterative methods and special purpose pre-conditioners were investigated. Special-purpose pre-conditioners that take advantage of the structure of the matrix were adapted and developed based on intimate knowledge of the matrix properties. Finally, new operator formulations were developed that radically improve the conditioning of the resulting linear systems thus greatly reducing solution time. The goal was to enable the solution of CEM problems that are 10 to 100 times larger than our previous capability.« less

Module discovery by exhaustive search for densely connected, co-expressed regions in biomolecular interaction networks.

PubMed

Colak, Recep; Moser, Flavia; Chu, Jeffrey Shih-Chieh; Schönhuth, Alexander; Chen, Nansheng; Ester, Martin

2010-10-25

Computational prediction of functionally related groups of genes (functional modules) from large-scale data is an important issue in computational biology. Gene expression experiments and interaction networks are well studied large-scale data sources, available for many not yet exhaustively annotated organisms. It has been well established, when analyzing these two data sources jointly, modules are often reflected by highly interconnected (dense) regions in the interaction networks whose participating genes are co-expressed. However, the tractability of the problem had remained unclear and methods by which to exhaustively search for such constellations had not been presented. We provide an algorithmic framework, referred to as Densely Connected Biclustering (DECOB), by which the aforementioned search problem becomes tractable. To benchmark the predictive power inherent to the approach, we computed all co-expressed, dense regions in physical protein and genetic interaction networks from human and yeast. An automatized filtering procedure reduces our output which results in smaller collections of modules, comparable to state-of-the-art approaches. Our results performed favorably in a fair benchmarking competition which adheres to standard criteria. We demonstrate the usefulness of an exhaustive module search, by using the unreduced output to more quickly perform GO term related function prediction tasks. We point out the advantages of our exhaustive output by predicting functional relationships using two examples. We demonstrate that the computation of all densely connected and co-expressed regions in interaction networks is an approach to module discovery of considerable value. Beyond confirming the well settled hypothesis that such co-expressed, densely connected interaction network regions reflect functional modules, we open up novel computational ways to comprehensively analyze the modular organization of an organism based on prevalent and largely available large-scale datasets. Software and data sets are available at http://www.sfu.ca/~ester/software/DECOB.zip.

Quantity and Quality of Computer Use and Academic Achievement: Evidence from a Large-Scale International Test Program

ERIC Educational Resources Information Center

Cheema, Jehanzeb R.; Zhang, Bo

2013-01-01

This study looked at the effect of both quantity and quality of computer use on achievement. The Program for International Student Assessment (PISA) 2003 student survey comprising of 4,356 students (boys, n = 2,129; girls, n = 2,227) was used to predict academic achievement from quantity and quality of computer use while controlling for…

Entanglement in a Quantum Annealing Processor

DTIC Science & Technology

2016-09-07

that QA is a viable technology for large- scale quantum computing . DOI: 10.1103/PhysRevX.4.021041 Subject Areas: Quantum Physics, Quantum Information...Superconductivity I. INTRODUCTION The past decade has been exciting for the field of quantum computation . A wide range of physical imple- mentations...measurements used in studying prototype universal quantum computers [9–14]. These constraints make it challenging to experimentally determine whether a scalable

PETSc Users Manual Revision 3.7

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balay, Satish; Abhyankar, S.; Adams, M.

This manual describes the use of PETSc for the numerical solution of partial differential equations and related problems on high-performance computers. The Portable, Extensible Toolkit for Scientific Computation (PETSc) is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all message-passing communication.

The Influence of Large-Scale Computing on Aircraft Structural Design.

DTIC Science & Technology

1986-04-01

the customer in the most cost- effective manner. Computer facility organizations became computer resource power brokers. A good data processing...capabilities generated on other processors can be easily used. This approach is easily implementable and provides a good strategy for using existing...assistance to member nations for the purpose of increasing their scientific and technical potential; - Recommending effective ways for the member nations to

PETSc Users Manual Revision 3.8

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balay, S.; Abhyankar, S.; Adams, M.

This manual describes the use of PETSc for the numerical solution of partial differential equations and related problems on high-performance computers. The Portable, Extensible Toolkit for Scientific Computation (PETSc) is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all message-passing communication.

Expectation propagation for large scale Bayesian inference of non-linear molecular networks from perturbation data.

PubMed

Narimani, Zahra; Beigy, Hamid; Ahmad, Ashar; Masoudi-Nejad, Ali; Fröhlich, Holger

2017-01-01

Inferring the structure of molecular networks from time series protein or gene expression data provides valuable information about the complex biological processes of the cell. Causal network structure inference has been approached using different methods in the past. Most causal network inference techniques, such as Dynamic Bayesian Networks and ordinary differential equations, are limited by their computational complexity and thus make large scale inference infeasible. This is specifically true if a Bayesian framework is applied in order to deal with the unavoidable uncertainty about the correct model. We devise a novel Bayesian network reverse engineering approach using ordinary differential equations with the ability to include non-linearity. Besides modeling arbitrary, possibly combinatorial and time dependent perturbations with unknown targets, one of our main contributions is the use of Expectation Propagation, an algorithm for approximate Bayesian inference over large scale network structures in short computation time. We further explore the possibility of integrating prior knowledge into network inference. We evaluate the proposed model on DREAM4 and DREAM8 data and find it competitive against several state-of-the-art existing network inference methods.

Active subspace: toward scalable low-rank learning.

PubMed

Liu, Guangcan; Yan, Shuicheng

2012-12-01

We address the scalability issues in low-rank matrix learning problems. Usually these problems resort to solving nuclear norm regularized optimization problems (NNROPs), which often suffer from high computational complexities if based on existing solvers, especially in large-scale settings. Based on the fact that the optimal solution matrix to an NNROP is often low rank, we revisit the classic mechanism of low-rank matrix factorization, based on which we present an active subspace algorithm for efficiently solving NNROPs by transforming large-scale NNROPs into small-scale problems. The transformation is achieved by factorizing the large solution matrix into the product of a small orthonormal matrix (active subspace) and another small matrix. Although such a transformation generally leads to nonconvex problems, we show that a suboptimal solution can be found by the augmented Lagrange alternating direction method. For the robust PCA (RPCA) (Candès, Li, Ma, & Wright, 2009 ) problem, a typical example of NNROPs, theoretical results verify the suboptimality of the solution produced by our algorithm. For the general NNROPs, we empirically show that our algorithm significantly reduces the computational complexity without loss of optimality.

Parallel block schemes for large scale least squares computations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Golub, G.H.; Plemmons, R.J.; Sameh, A.

1986-04-01

Large scale least squares computations arise in a variety of scientific and engineering problems, including geodetic adjustments and surveys, medical image analysis, molecular structures, partial differential equations and substructuring methods in structural engineering. In each of these problems, matrices often arise which possess a block structure which reflects the local connection nature of the underlying physical problem. For example, such super-large nonlinear least squares computations arise in geodesy. Here the coordinates of positions are calculated by iteratively solving overdetermined systems of nonlinear equations by the Gauss-Newton method. The US National Geodetic Survey will complete this year (1986) the readjustment ofmore » the North American Datum, a problem which involves over 540 thousand unknowns and over 6.5 million observations (equations). The observation matrix for these least squares computations has a block angular form with 161 diagnonal blocks, each containing 3 to 4 thousand unknowns. In this paper parallel schemes are suggested for the orthogonal factorization of matrices in block angular form and for the associated backsubstitution phase of the least squares computations. In addition, a parallel scheme for the calculation of certain elements of the covariance matrix for such problems is described. It is shown that these algorithms are ideally suited for multiprocessors with three levels of parallelism such as the Cedar system at the University of Illinois. 20 refs., 7 figs.« less

Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics Talk: Understanding Nano-scale Electronic Systems via Large-scale Computation

NASA Astrophysics Data System (ADS)

Cao, Chao

2009-03-01

Nano-scale physical phenomena and processes, especially those in electronics, have drawn great attention in the past decade. Experiments have shown that electronic and transport properties of functionalized carbon nanotubes are sensitive to adsorption of gas molecules such as H2, NO2, and NH3. Similar measurements have also been performed to study adsorption of proteins on other semiconductor nano-wires. These experiments suggest that nano-scale systems can be useful for making future chemical and biological sensors. Aiming to understand the physical mechanisms underlying and governing property changes at nano-scale, we start off by investigating, via first-principles method, the electronic structure of Pd-CNT before and after hydrogen adsorption, and continue with coherent electronic transport using non-equilibrium Green’s function techniques combined with density functional theory. Once our results are fully analyzed they can be used to interpret and understand experimental data, with a few difficult issues to be addressed. Finally, we discuss a newly developed multi-scale computing architecture, OPAL, that coordinates simultaneous execution of multiple codes. Inspired by the capabilities of this computing framework, we present a scenario of future modeling and simulation of multi-scale, multi-physical processes.

Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake

Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less

Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD

DOE PAGES

Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake; ...

2017-03-24

Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less

SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

NASA Astrophysics Data System (ADS)

Guo, Yang; Sivalingam, Kantharuban; Valeev, Edward F.; Neese, Frank

2016-03-01

Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still two important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling "partially contracted" NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient "electron pair prescreening" that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed comparison between the partial and strong contraction schemes is made, with conclusions that discourage the strong contraction scheme as a basis for local correlation methods due to its non-invariance with respect to rotations in the inactive and external subspaces. A minimal set of conservatively chosen truncation thresholds controls the accuracy of the method. With the default thresholds, about 99.9% of the canonical partially contracted NEVPT2 correlation energy is recovered while the crossover of the computational cost with the already very efficient canonical method occurs reasonably early; in linear chain type compounds at a chain length of around 80 atoms. Calculations are reported for systems with more than 300 atoms and 5400 basis functions.

Turbulence Measurements and Computations for the Predication of Broadband Noise in High Bypass Ratio Fans

NASA Technical Reports Server (NTRS)

Devenport, William J.; Ragab, Saad A.

2000-01-01

Work was performed under this grant with a view to providing the experimental and computational results needed to improve the prediction of broadband stator noise in large bypass ratio aircraft engines. The central hypothesis of our study was that a large fraction of this noise was generated by the fan tip leakage vortices. More specifically, that these vortices are a significant component of the fan wake turbulence and they contain turbulent eddies of a type that can produce significant broadband noise. To test this hypothesis we originally proposed experimental work and computations with the following objectives: (1) to build a large scale two-dimensional cascade with a tip gap and a stationary endwall that, as far as possible, simulates the fan tip geometry, (2) to build a moving endwall for use with the large scale cascade, (3) to measure, in detail, the turbulence structure and spectrum generated by the blade wake and tip leakage vortex, for both endwall configurations, (4) to use the CFD to compute the flow and turbulence distributions for both the experimental configurations and the ADP fan, (5) to provide the experimental and CFD results for the cascades and the physical understanding gained from their study as a basis for improving the broadband noise prediction method. In large part these objectives have been achieved. The most important achievements and findings of our experimental and computational efforts are summarized below. The bibliography at the end of this report includes a list of all publications produced to date under this project. Note that this list is necessarily incomplete the task of publication (particularly in journal papers) continues.

The CP-PACS parallel computer

NASA Astrophysics Data System (ADS)

Ukawa, Akira

1998-05-01

The CP-PACS computer is a massively parallel computer consisting of 2048 processing units and having a peak speed of 614 GFLOPS and 128 GByte of main memory. It was developed over the four years from 1992 to 1996 at the Center for Computational Physics, University of Tsukuba, for large-scale numerical simulations in computational physics, especially those of lattice QCD. The CP-PACS computer has been in full operation for physics computations since October 1996. In this article we describe the chronology of the development, the hardware and software characteristics of the computer, and its performance for lattice QCD simulations.

An economy of scale system's mensuration of large spacecraft

NASA Technical Reports Server (NTRS)

Deryder, L. J.

1981-01-01

The systems technology and cost particulars of using multipurpose platforms versus several sizes of bus type free flyer spacecraft to accomplish the same space experiment missions. Computer models of these spacecraft bus designs were created to obtain data relative to size, weight, power, performance, and cost. To answer the question of whether or not large scale does produce economy, the dominant cost factors were determined and the programmatic effect on individual experiment costs were evaluated.

Supporting large scale applications on networks of workstations

NASA Technical Reports Server (NTRS)

Cooper, Robert; Birman, Kenneth P.

1989-01-01

Distributed applications on networks of workstations are an increasingly common way to satisfy computing needs. However, existing mechanisms for distributed programming exhibit poor performance and reliability as application size increases. Extension of the ISIS distributed programming system to support large scale distributed applications by providing hierarchical process groups is discussed. Incorporation of hierarchy in the program structure and exploitation of this to limit the communication and storage required in any one component of the distributed system is examined.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package.

PubMed

Womack, James C; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-28

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

NASA Astrophysics Data System (ADS)

Womack, James C.; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-01

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

paraGSEA: a scalable approach for large-scale gene expression profiling

PubMed Central

Peng, Shaoliang; Yang, Shunyun

2017-01-01

Abstract More studies have been conducted using gene expression similarity to identify functional connections among genes, diseases and drugs. Gene Set Enrichment Analysis (GSEA) is a powerful analytical method for interpreting gene expression data. However, due to its enormous computational overhead in the estimation of significance level step and multiple hypothesis testing step, the computation scalability and efficiency are poor on large-scale datasets. We proposed paraGSEA for efficient large-scale transcriptome data analysis. By optimization, the overall time complexity of paraGSEA is reduced from O(mn) to O(m+n), where m is the length of the gene sets and n is the length of the gene expression profiles, which contributes more than 100-fold increase in performance compared with other popular GSEA implementations such as GSEA-P, SAM-GS and GSEA2. By further parallelization, a near-linear speed-up is gained on both workstations and clusters in an efficient manner with high scalability and performance on large-scale datasets. The analysis time of whole LINCS phase I dataset (GSE92742) was reduced to nearly half hour on a 1000 node cluster on Tianhe-2, or within 120 hours on a 96-core workstation. The source code of paraGSEA is licensed under the GPLv3 and available at http://github.com/ysycloud/paraGSEA. PMID:28973463

Reversible Parallel Discrete-Event Execution of Large-scale Epidemic Outbreak Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perumalla, Kalyan S; Seal, Sudip K

2010-01-01

The spatial scale, runtime speed and behavioral detail of epidemic outbreak simulations together require the use of large-scale parallel processing. In this paper, an optimistic parallel discrete event execution of a reaction-diffusion simulation model of epidemic outbreaks is presented, with an implementation over themore » $$\\mu$$sik simulator. Rollback support is achieved with the development of a novel reversible model that combines reverse computation with a small amount of incremental state saving. Parallel speedup and other runtime performance metrics of the simulation are tested on a small (8,192-core) Blue Gene / P system, while scalability is demonstrated on 65,536 cores of a large Cray XT5 system. Scenarios representing large population sizes (up to several hundred million individuals in the largest case) are exercised.« less

A global classification of coastal flood hazard climates associated with large-scale oceanographic forcing.

PubMed

Rueda, Ana; Vitousek, Sean; Camus, Paula; Tomás, Antonio; Espejo, Antonio; Losada, Inigo J; Barnard, Patrick L; Erikson, Li H; Ruggiero, Peter; Reguero, Borja G; Mendez, Fernando J

2017-07-11

Coastal communities throughout the world are exposed to numerous and increasing threats, such as coastal flooding and erosion, saltwater intrusion and wetland degradation. Here, we present the first global-scale analysis of the main drivers of coastal flooding due to large-scale oceanographic factors. Given the large dimensionality of the problem (e.g. spatiotemporal variability in flood magnitude and the relative influence of waves, tides and surge levels), we have performed a computer-based classification to identify geographical areas with homogeneous climates. Results show that 75% of coastal regions around the globe have the potential for very large flooding events with low probabilities (unbounded tails), 82% are tide-dominated, and almost 49% are highly susceptible to increases in flooding frequency due to sea-level rise.

Ultra-Scale Computing for Emergency Evacuation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhaduri, Budhendra L; Nutaro, James J; Liu, Cheng

2010-01-01

Emergency evacuations are carried out in anticipation of a disaster such as hurricane landfall or flooding, and in response to a disaster that strikes without a warning. Existing emergency evacuation modeling and simulation tools are primarily designed for evacuation planning and are of limited value in operational support for real time evacuation management. In order to align with desktop computing, these models reduce the data and computational complexities through simple approximations and representations of real network conditions and traffic behaviors, which rarely represent real-world scenarios. With the emergence of high resolution physiographic, demographic, and socioeconomic data and supercomputing platforms, itmore » is possible to develop micro-simulation based emergency evacuation models that can foster development of novel algorithms for human behavior and traffic assignments, and can simulate evacuation of millions of people over a large geographic area. However, such advances in evacuation modeling and simulations demand computational capacity beyond the desktop scales and can be supported by high performance computing platforms. This paper explores the motivation and feasibility of ultra-scale computing for increasing the speed of high resolution emergency evacuation simulations.« less

CMOL/CMOS hardware architectures and performance/price for Bayesian memory - The building block of intelligent systems

NASA Astrophysics Data System (ADS)

Zaveri, Mazad Shaheriar

The semiconductor/computer industry has been following Moore's law for several decades and has reaped the benefits in speed and density of the resultant scaling. Transistor density has reached almost one billion per chip, and transistor delays are in picoseconds. However, scaling has slowed down, and the semiconductor industry is now facing several challenges. Hybrid CMOS/nano technologies, such as CMOL, are considered as an interim solution to some of the challenges. Another potential architectural solution includes specialized architectures for applications/models in the intelligent computing domain, one aspect of which includes abstract computational models inspired from the neuro/cognitive sciences. Consequently in this dissertation, we focus on the hardware implementations of Bayesian Memory (BM), which is a (Bayesian) Biologically Inspired Computational Model (BICM). This model is a simplified version of George and Hawkins' model of the visual cortex, which includes an inference framework based on Judea Pearl's belief propagation. We then present a "hardware design space exploration" methodology for implementing and analyzing the (digital and mixed-signal) hardware for the BM. This particular methodology involves: analyzing the computational/operational cost and the related micro-architecture, exploring candidate hardware components, proposing various custom hardware architectures using both traditional CMOS and hybrid nanotechnology - CMOL, and investigating the baseline performance/price of these architectures. The results suggest that CMOL is a promising candidate for implementing a BM. Such implementations can utilize the very high density storage/computation benefits of these new nano-scale technologies much more efficiently; for example, the throughput per 858 mm2 (TPM) obtained for CMOL based architectures is 32 to 40 times better than the TPM for a CMOS based multiprocessor/multi-FPGA system, and almost 2000 times better than the TPM for a PC implementation. We later use this methodology to investigate the hardware implementations of cortex-scale spiking neural system, which is an approximate neural equivalent of BICM based cortex-scale system. The results of this investigation also suggest that CMOL is a promising candidate to implement such large-scale neuromorphic systems. In general, the assessment of such hypothetical baseline hardware architectures provides the prospects for building large-scale (mammalian cortex-scale) implementations of neuromorphic/Bayesian/intelligent systems using state-of-the-art and beyond state-of-the-art silicon structures.

Final Report Scalable Analysis Methods and In Situ Infrastructure for Extreme Scale Knowledge Discovery

DOE Office of Scientific and Technical Information (OSTI.GOV)

O'Leary, Patrick

The primary challenge motivating this project is the widening gap between the ability to compute information and to store it for subsequent analysis. This gap adversely impacts science code teams, who can perform analysis only on a small fraction of the data they calculate, resulting in the substantial likelihood of lost or missed science, when results are computed but not analyzed. Our approach is to perform as much analysis or visualization processing on data while it is still resident in memory, which is known as in situ processing. The idea in situ processing was not new at the time ofmore » the start of this effort in 2014, but efforts in that space were largely ad hoc, and there was no concerted effort within the research community that aimed to foster production-quality software tools suitable for use by Department of Energy (DOE) science projects. Our objective was to produce and enable the use of production-quality in situ methods and infrastructure, at scale, on DOE high-performance computing (HPC) facilities, though we expected to have an impact beyond DOE due to the widespread nature of the challenges, which affect virtually all large-scale computational science efforts. To achieve this objective, we engaged in software technology research and development (R&D), in close partnerships with DOE science code teams, to produce software technologies that were shown to run efficiently at scale on DOE HPC platforms.« less

Workshop report on large-scale matrix diagonalization methods in chemistry theory institute

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bischof, C.H.; Shepard, R.L.; Huss-Lederman, S.

The Large-Scale Matrix Diagonalization Methods in Chemistry theory institute brought together 41 computational chemists and numerical analysts. The goal was to understand the needs of the computational chemistry community in problems that utilize matrix diagonalization techniques. This was accomplished by reviewing the current state of the art and looking toward future directions in matrix diagonalization techniques. This institute occurred about 20 years after a related meeting of similar size. During those 20 years the Davidson method continued to dominate the problem of finding a few extremal eigenvalues for many computational chemistry problems. Work on non-diagonally dominant and non-Hermitian problems asmore » well as parallel computing has also brought new methods to bear. The changes and similarities in problems and methods over the past two decades offered an interesting viewpoint for the success in this area. One important area covered by the talks was overviews of the source and nature of the chemistry problems. The numerical analysts were uniformly grateful for the efforts to convey a better understanding of the problems and issues faced in computational chemistry. An important outcome was an understanding of the wide range of eigenproblems encountered in computational chemistry. The workshop covered problems involving self- consistent-field (SCF), configuration interaction (CI), intramolecular vibrational relaxation (IVR), and scattering problems. In atomic structure calculations using the Hartree-Fock method (SCF), the symmetric matrices can range from order hundreds to thousands. These matrices often include large clusters of eigenvalues which can be as much as 25% of the spectrum. However, if Cl methods are also used, the matrix size can be between 10{sup 4} and 10{sup 9} where only one or a few extremal eigenvalues and eigenvectors are needed. Working with very large matrices has lead to the development of« less

The Next Frontier in Computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarrao, John

2016-11-16

Exascale computing refers to computing systems capable of at least one exaflop or a billion calculations per second (1018). That is 50 times faster than the most powerful supercomputers being used today and represents a thousand-fold increase over the first petascale computer that came into operation in 2008. How we use these large-scale simulation resources is the key to solving some of today’s most pressing problems, including clean energy production, nuclear reactor lifetime extension and nuclear stockpile aging.

Bundle block adjustment of large-scale remote sensing data with Block-based Sparse Matrix Compression combined with Preconditioned Conjugate Gradient

NASA Astrophysics Data System (ADS)

Zheng, Maoteng; Zhang, Yongjun; Zhou, Shunping; Zhu, Junfeng; Xiong, Xiaodong

2016-07-01

In recent years, new platforms and sensors in photogrammetry, remote sensing and computer vision areas have become available, such as Unmanned Aircraft Vehicles (UAV), oblique camera systems, common digital cameras and even mobile phone cameras. Images collected by all these kinds of sensors could be used as remote sensing data sources. These sensors can obtain large-scale remote sensing data which consist of a great number of images. Bundle block adjustment of large-scale data with conventional algorithm is very time and space (memory) consuming due to the super large normal matrix arising from large-scale data. In this paper, an efficient Block-based Sparse Matrix Compression (BSMC) method combined with the Preconditioned Conjugate Gradient (PCG) algorithm is chosen to develop a stable and efficient bundle block adjustment system in order to deal with the large-scale remote sensing data. The main contribution of this work is the BSMC-based PCG algorithm which is more efficient in time and memory than the traditional algorithm without compromising the accuracy. Totally 8 datasets of real data are used to test our proposed method. Preliminary results have shown that the BSMC method can efficiently decrease the time and memory requirement of large-scale data.

A depth-first search algorithm to compute elementary flux modes by linear programming.

PubMed

Quek, Lake-Ee; Nielsen, Lars K

2014-07-30

The decomposition of complex metabolic networks into elementary flux modes (EFMs) provides a useful framework for exploring reaction interactions systematically. Generating a complete set of EFMs for large-scale models, however, is near impossible. Even for moderately-sized models (<400 reactions), existing approaches based on the Double Description method must iterate through a large number of combinatorial candidates, thus imposing an immense processor and memory demand. Based on an alternative elementarity test, we developed a depth-first search algorithm using linear programming (LP) to enumerate EFMs in an exhaustive fashion. Constraints can be introduced to directly generate a subset of EFMs satisfying the set of constraints. The depth-first search algorithm has a constant memory overhead. Using flux constraints, a large LP problem can be massively divided and parallelized into independent sub-jobs for deployment into computing clusters. Since the sub-jobs do not overlap, the approach scales to utilize all available computing nodes with minimal coordination overhead or memory limitations. The speed of the algorithm was comparable to efmtool, a mainstream Double Description method, when enumerating all EFMs; the attrition power gained from performing flux feasibility tests offsets the increased computational demand of running an LP solver. Unlike the Double Description method, the algorithm enables accelerated enumeration of all EFMs satisfying a set of constraints.

Support Vector Machines Trained with Evolutionary Algorithms Employing Kernel Adatron for Large Scale Classification of Protein Structures.

PubMed

Arana-Daniel, Nancy; Gallegos, Alberto A; López-Franco, Carlos; Alanís, Alma Y; Morales, Jacob; López-Franco, Adriana

2016-01-01

With the increasing power of computers, the amount of data that can be processed in small periods of time has grown exponentially, as has the importance of classifying large-scale data efficiently. Support vector machines have shown good results classifying large amounts of high-dimensional data, such as data generated by protein structure prediction, spam recognition, medical diagnosis, optical character recognition and text classification, etc. Most state of the art approaches for large-scale learning use traditional optimization methods, such as quadratic programming or gradient descent, which makes the use of evolutionary algorithms for training support vector machines an area to be explored. The present paper proposes an approach that is simple to implement based on evolutionary algorithms and Kernel-Adatron for solving large-scale classification problems, focusing on protein structure prediction. The functional properties of proteins depend upon their three-dimensional structures. Knowing the structures of proteins is crucial for biology and can lead to improvements in areas such as medicine, agriculture and biofuels.

Resolving Properties of Polymers and Nanoparticle Assembly through Coarse-Grained Computational Studies.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grest, Gary S.

2017-09-01

Coupled length and time scales determine the dynamic behavior of polymers and polymer nanocomposites and underlie their unique properties. To resolve the properties over large time and length scales it is imperative to develop coarse grained models which retain the atomistic specificity. Here we probe the degree of coarse graining required to simultaneously retain significant atomistic details a nd access large length and time scales. The degree of coarse graining in turn sets the minimum length scale instrumental in defining polymer properties and dynamics. Using polyethylene as a model system, we probe how the coarse - graining scale affects themore » measured dynamics with different number methylene group s per coarse - grained beads. Using these models we simulate polyethylene melts for times over 500 ms to study the viscoelastic properties of well - entangled polymer melts and large nanoparticle assembly as the nanoparticles are driven close enough to form nanostructures.« less

Large Data at Small Universities: Astronomical processing using a computer classroom

NASA Astrophysics Data System (ADS)

Fuller, Nathaniel James; Clarkson, William I.; Fluharty, Bill; Belanger, Zach; Dage, Kristen

2016-06-01

The use of large computing clusters for astronomy research is becoming more commonplace as datasets expand, but access to these required resources is sometimes difficult for research groups working at smaller Universities. As an alternative to purchasing processing time on an off-site computing cluster, or purchasing dedicated hardware, we show how one can easily build a crude on-site cluster by utilizing idle cycles on instructional computers in computer-lab classrooms. Since these computers are maintained as part of the educational mission of the University, the resource impact on the investigator is generally low.By using open source Python routines, it is possible to have a large number of desktop computers working together via a local network to sort through large data sets. By running traditional analysis routines in an “embarrassingly parallel” manner, gains in speed are accomplished without requiring the investigator to learn how to write routines using highly specialized methodology. We demonstrate this concept here applied to 1. photometry of large-format images and 2. Statistical significance-tests for X-ray lightcurve analysis. In these scenarios, we see a speed-up factor which scales almost linearly with the number of cores in the cluster. Additionally, we show that the usage of the cluster does not severely limit performance for a local user, and indeed the processing can be performed while the computers are in use for classroom purposes.

Application of NASA General-Purpose Solver to Large-Scale Computations in Aeroacoustics

NASA Technical Reports Server (NTRS)

Watson, Willie R.; Storaasli, Olaf O.

2004-01-01

Of several iterative and direct equation solvers evaluated previously for computations in aeroacoustics, the most promising was the NASA-developed General-Purpose Solver (winner of NASA's 1999 software of the year award). This paper presents detailed, single-processor statistics of the performance of this solver, which has been tailored and optimized for large-scale aeroacoustic computations. The statistics, compiled using an SGI ORIGIN 2000 computer with 12 Gb available memory (RAM) and eight available processors, are the central processing unit time, RAM requirements, and solution error. The equation solver is capable of solving 10 thousand complex unknowns in as little as 0.01 sec using 0.02 Gb RAM, and 8.4 million complex unknowns in slightly less than 3 hours using all 12 Gb. This latter solution is the largest aeroacoustics problem solved to date with this technique. The study was unable to detect any noticeable error in the solution, since noise levels predicted from these solution vectors are in excellent agreement with the noise levels computed from the exact solution. The equation solver provides a means for obtaining numerical solutions to aeroacoustics problems in three dimensions.

Parallel Optimization of 3D Cardiac Electrophysiological Model Using GPU

PubMed Central

Xia, Yong; Zhang, Henggui

2015-01-01

Large-scale 3D virtual heart model simulations are highly demanding in computational resources. This imposes a big challenge to the traditional computation resources based on CPU environment, which already cannot meet the requirement of the whole computation demands or are not easily available due to expensive costs. GPU as a parallel computing environment therefore provides an alternative to solve the large-scale computational problems of whole heart modeling. In this study, using a 3D sheep atrial model as a test bed, we developed a GPU-based simulation algorithm to simulate the conduction of electrical excitation waves in the 3D atria. In the GPU algorithm, a multicellular tissue model was split into two components: one is the single cell model (ordinary differential equation) and the other is the diffusion term of the monodomain model (partial differential equation). Such a decoupling enabled realization of the GPU parallel algorithm. Furthermore, several optimization strategies were proposed based on the features of the virtual heart model, which enabled a 200-fold speedup as compared to a CPU implementation. In conclusion, an optimized GPU algorithm has been developed that provides an economic and powerful platform for 3D whole heart simulations. PMID:26581957

Parallel Optimization of 3D Cardiac Electrophysiological Model Using GPU.

PubMed

Xia, Yong; Wang, Kuanquan; Zhang, Henggui

2015-01-01

Large-scale 3D virtual heart model simulations are highly demanding in computational resources. This imposes a big challenge to the traditional computation resources based on CPU environment, which already cannot meet the requirement of the whole computation demands or are not easily available due to expensive costs. GPU as a parallel computing environment therefore provides an alternative to solve the large-scale computational problems of whole heart modeling. In this study, using a 3D sheep atrial model as a test bed, we developed a GPU-based simulation algorithm to simulate the conduction of electrical excitation waves in the 3D atria. In the GPU algorithm, a multicellular tissue model was split into two components: one is the single cell model (ordinary differential equation) and the other is the diffusion term of the monodomain model (partial differential equation). Such a decoupling enabled realization of the GPU parallel algorithm. Furthermore, several optimization strategies were proposed based on the features of the virtual heart model, which enabled a 200-fold speedup as compared to a CPU implementation. In conclusion, an optimized GPU algorithm has been developed that provides an economic and powerful platform for 3D whole heart simulations.

The large-scale structure of software-intensive systems

PubMed Central

Booch, Grady

2012-01-01

The computer metaphor is dominant in most discussions of neuroscience, but the semantics attached to that metaphor are often quite naive. Herein, we examine the ontology of software-intensive systems, the nature of their structure and the application of the computer metaphor to the metaphysical questions of self and causation. PMID:23386964

An Empirical Generative Framework for Computational Modeling of Language Acquisition

ERIC Educational Resources Information Center

Waterfall, Heidi R.; Sandbank, Ben; Onnis, Luca; Edelman, Shimon

2010-01-01

This paper reports progress in developing a computer model of language acquisition in the form of (1) a generative grammar that is (2) algorithmically learnable from realistic corpus data, (3) viable in its large-scale quantitative performance and (4) psychologically real. First, we describe new algorithmic methods for unsupervised learning of…

Ubiquitous Computing--Are We Crazy? Point/Counterpoint

ERIC Educational Resources Information Center

DeWitt, Scott W.; Horn, Patricia S.

2005-01-01

The push for ubiquitous computing (UC) relies on an understandable and well-intentioned belief that teaching and schooling need to be transformed. This view appears credible based on large-scale criteria, such as test scores relative to other countries, drop-out rates, and economic changes. And the use of technology to achieve this goal is…

Numerical Upscaling of Solute Transport in Fractured Porous Media Based on Flow Aligned Blocks

NASA Astrophysics Data System (ADS)

Leube, P.; Nowak, W.; Sanchez-Vila, X.

2013-12-01

High-contrast or fractured-porous media (FPM) pose one of the largest unresolved challenges for simulating large hydrogeological systems. The high contrast in advective transport between fast conduits and low-permeability rock matrix, including complex mass transfer processes, leads to the typical complex characteristics of early bulk arrivals and long tailings. Adequate direct representation of FPM requires enormous numerical resolutions. For large scales, e.g. the catchment scale, and when allowing for uncertainty in the fracture network architecture or in matrix properties, computational costs quickly reach an intractable level. In such cases, multi-scale simulation techniques have become useful tools. They allow decreasing the complexity of models by aggregating and transferring their parameters to coarser scales and so drastically reduce the computational costs. However, these advantages come at a loss of detail and accuracy. In this work, we develop and test a new multi-scale or upscaled modeling approach based on block upscaling. The novelty is that individual blocks are defined by and aligned with the local flow coordinates. We choose a multi-rate mass transfer (MRMT) model to represent the remaining sub-block non-Fickian behavior within these blocks on the coarse scale. To make the scale transition simple and to save computational costs, we capture sub-block features by temporal moments (TM) of block-wise particle arrival times to be matched with the MRMT model. By predicting spatial mass distributions of injected tracers in a synthetic test scenario, our coarse-scale solution matches reasonably well with the corresponding fine-scale reference solution. For predicting higher TM-orders (such as arrival time and effective dispersion), the prediction accuracy steadily decreases. This is compensated to some extent by the MRMT model. If the MRMT model becomes too complex, it loses its effect. We also found that prediction accuracy is sensitive to the choice of the effective dispersion coefficients and on the block resolution. A key advantage of the flow-aligned blocks is that the small-scale velocity field is reproduced quite accurately on the block-scale through their flow alignment. Thus, the block-scale transverse dispersivities remain in the similar magnitude as local ones, and they do not have to represent macroscopic uncertainty. Also, the flow-aligned blocks minimize numerical dispersion when solving the large-scale transport problem.

Ab initio calculations for industrial materials engineering: successes and challenges.

PubMed

Wimmer, Erich; Najafabadi, Reza; Young, George A; Ballard, Jake D; Angeliu, Thomas M; Vollmer, James; Chambers, James J; Niimi, Hiroaki; Shaw, Judy B; Freeman, Clive; Christensen, Mikael; Wolf, Walter; Saxe, Paul

2010-09-29

Computational materials science based on ab initio calculations has become an important partner to experiment. This is demonstrated here for the effect of impurities and alloying elements on the strength of a Zr twist grain boundary, the dissociative adsorption and diffusion of iodine on a zirconium surface, the diffusion of oxygen atoms in a Ni twist grain boundary and in bulk Ni, and the dependence of the work function of a TiN-HfO(2) junction on the replacement of N by O atoms. In all of these cases, computations provide atomic-scale understanding as well as quantitative materials property data of value to industrial research and development. There are two key challenges in applying ab initio calculations, namely a higher accuracy in the electronic energy and the efficient exploration of large parts of the configurational space. While progress in these areas is fueled by advances in computer hardware, innovative theoretical concepts combined with systematic large-scale computations will be needed to realize the full potential of ab initio calculations for industrial applications.

Avoiding the Enumeration of Infeasible Elementary Flux Modes by Including Transcriptional Regulatory Rules in the Enumeration Process Saves Computational Costs

PubMed Central

Jungreuthmayer, Christian; Ruckerbauer, David E.; Gerstl, Matthias P.; Hanscho, Michael; Zanghellini, Jürgen

2015-01-01

Despite the significant progress made in recent years, the computation of the complete set of elementary flux modes of large or even genome-scale metabolic networks is still impossible. We introduce a novel approach to speed up the calculation of elementary flux modes by including transcriptional regulatory information into the analysis of metabolic networks. Taking into account gene regulation dramatically reduces the solution space and allows the presented algorithm to constantly eliminate biologically infeasible modes at an early stage of the computation procedure. Thereby, computational costs, such as runtime, memory usage, and disk space, are extremely reduced. Moreover, we show that the application of transcriptional rules identifies non-trivial system-wide effects on metabolism. Using the presented algorithm pushes the size of metabolic networks that can be studied by elementary flux modes to new and much higher limits without the loss of predictive quality. This makes unbiased, system-wide predictions in large scale metabolic networks possible without resorting to any optimization principle. PMID:26091045

Discovering and understanding oncogenic gene fusions through data intensive computational approaches

PubMed Central

Latysheva, Natasha S.; Babu, M. Madan

2016-01-01

Abstract Although gene fusions have been recognized as important drivers of cancer for decades, our understanding of the prevalence and function of gene fusions has been revolutionized by the rise of next-generation sequencing, advances in bioinformatics theory and an increasing capacity for large-scale computational biology. The computational work on gene fusions has been vastly diverse, and the present state of the literature is fragmented. It will be fruitful to merge three camps of gene fusion bioinformatics that appear to rarely cross over: (i) data-intensive computational work characterizing the molecular biology of gene fusions; (ii) development research on fusion detection tools, candidate fusion prioritization algorithms and dedicated fusion databases and (iii) clinical research that seeks to either therapeutically target fusion transcripts and proteins or leverages advances in detection tools to perform large-scale surveys of gene fusion landscapes in specific cancer types. In this review, we unify these different—yet highly complementary and symbiotic—approaches with the view that increased synergy will catalyze advancements in gene fusion identification, characterization and significance evaluation. PMID:27105842

Computational biomedicine: a challenge for the twenty-first century.

PubMed

Coveney, Peter V; Shublaq, Nour W

2012-01-01

With the relentless increase of computer power and the widespread availability of digital patient-specific medical data, we are now entering an era when it is becoming possible to develop predictive models of human disease and pathology, which can be used to support and enhance clinical decision-making. The approach amounts to a grand challenge to computational science insofar as we need to be able to provide seamless yet secure access to large scale heterogeneous personal healthcare data in a facile way, typically integrated into complex workflows-some parts of which may need to be run on high performance computers-in a facile way that is integrated into clinical decision support software. In this paper, we review the state of the art in terms of case studies drawn from neurovascular pathologies and HIV/AIDS. These studies are representative of a large number of projects currently being performed within the Virtual Physiological Human initiative. They make demands of information technology at many scales, from the desktop to national and international infrastructures for data storage and processing, linked by high performance networks.

A Stream Tilling Approach to Surface Area Estimation for Large Scale Spatial Data in a Shared Memory System

NASA Astrophysics Data System (ADS)

Liu, Jiping; Kang, Xiaochen; Dong, Chun; Xu, Shenghua

2017-12-01

Surface area estimation is a widely used tool for resource evaluation in the physical world. When processing large scale spatial data, the input/output (I/O) can easily become the bottleneck in parallelizing the algorithm due to the limited physical memory resources and the very slow disk transfer rate. In this paper, we proposed a stream tilling approach to surface area estimation that first decomposed a spatial data set into tiles with topological expansions. With these tiles, the one-to-one mapping relationship between the input and the computing process was broken. Then, we realized a streaming framework towards the scheduling of the I/O processes and computing units. Herein, each computing unit encapsulated a same copy of the estimation algorithm, and multiple asynchronous computing units could work individually in parallel. Finally, the performed experiment demonstrated that our stream tilling estimation can efficiently alleviate the heavy pressures from the I/O-bound work, and the measured speedup after being optimized have greatly outperformed the directly parallel versions in shared memory systems with multi-core processors.

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Youzuo; O'Malley, Daniel; Vesselinov, Velimir V.

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally-efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace, such that the dimensionality of themore » problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2D and a random hydraulic conductivity field in 3D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ~10 1 to ~10 2 in a multi-core computational environment. Furthermore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate- to large-scale problems.« less

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

DOE PAGES

Lin, Youzuo; O'Malley, Daniel; Vesselinov, Velimir V.

2016-09-01

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally-efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace, such that the dimensionality of themore » problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2D and a random hydraulic conductivity field in 3D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ~10 1 to ~10 2 in a multi-core computational environment. Furthermore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate- to large-scale problems.« less

A Conceptual Approach to Assimilating Remote Sensing Data to Improve Soil Moisture Profile Estimates in a Surface Flux/Hydrology Model. 3; Disaggregation

NASA Technical Reports Server (NTRS)

Caulfield, John; Crosson, William L.; Inguva, Ramarao; Laymon, Charles A.; Schamschula, Marius

1998-01-01

This is a followup on the preceding presentation by Crosson and Schamschula. The grid size for remote microwave measurements is much coarser than the hydrological model computational grids. To validate the hydrological models with measurements we propose mechanisms to disaggregate the microwave measurements to allow comparison with outputs from the hydrological models. Weighted interpolation and Bayesian methods are proposed to facilitate the comparison. While remote measurements occur at a large scale, they reflect underlying small-scale features. We can give continuing estimates of the small scale features by correcting the simple 0th-order, starting with each small-scale model with each large-scale measurement using a straightforward method based on Kalman filtering.

Validity of Scores for a Developmental Writing Scale Based on Automated Scoring

ERIC Educational Resources Information Center

Attali, Yigal; Powers, Donald

2009-01-01

A developmental writing scale for timed essay-writing performance was created on the basis of automatically computed indicators of writing fluency, word choice, and conventions of standard written English. In a large-scale data collection effort that involved a national sample of more than 12,000 students from 4th, 6th, 8th, 10th, and 12th grade,…

Hydrodynamic Simulations and Tomographic Reconstructions of the Intergalactic Medium

NASA Astrophysics Data System (ADS)

Stark, Casey William

The Intergalactic Medium (IGM) is the dominant reservoir of matter in the Universe from which the cosmic web and galaxies form. The structure and physical state of the IGM provides insight into the cosmological model of the Universe, the origin and timeline of the reionization of the Universe, as well as being an essential ingredient in our understanding of galaxy formation and evolution. Our primary handle on this information is a signal known as the Lyman-alpha forest (or Ly-alpha forest) -- the collection of absorption features in high-redshift sources due to intervening neutral hydrogen, which scatters HI Ly-alpha photons out of the line of sight. The Ly-alpha forest flux traces density fluctuations at high redshift and at moderate overdensities, making it an excellent tool for mapping large-scale structure and constraining cosmological parameters. Although the computational methodology for simulating the Ly-alpha forest has existed for over a decade, we are just now approaching the scale of computing power required to simultaneously capture large cosmological scales and the scales of the smallest absorption systems. My thesis focuses on using simulations at the edge of modern computing to produce precise predictions of the statistics of the Ly-alpha forest and to better understand the structure of the IGM. In the first part of my thesis, I review the state of hydrodynamic simulations of the IGM, including pitfalls of the existing under-resolved simulations. Our group developed a new cosmological hydrodynamics code to tackle the computational challenge, and I developed a distributed analysis framework to compute flux statistics from our simulations. I present flux statistics derived from a suite of our large hydrodynamic simulations and demonstrate convergence to the per cent level. I also compare flux statistics derived from simulations using different discretizations and hydrodynamic schemes (Eulerian finite volume vs. smoothed particle hydrodynamics) and discuss differences in their convergence behavior, their overall agreement, and the implications for cosmological constraints. In the second part of my thesis, I present a tomographic reconstruction method that allows us to make 3D maps of the IGM with Mpc resolution. In order to make reconstructions of large surveys computationally feasible, I developed a new Wiener Filter application with an algorithm specialized to our problem, which significantly reduces the space and time complexity compared to previous implementations. I explore two scientific applications of the maps: finding protoclusters by searching the maps for large, contiguous regions of low flux and finding cosmic voids by searching the maps for regions of high flux. Using a large N-body simulation, I identify and characterize both protoclusters and voids at z = 2.5, in the middle of the redshift range being mapped by ongoing surveys. I provide simple methods for identifying protocluster and void candidates in the tomographic flux maps, and then test them on mock surveys and reconstructions. I present forecasts for sample purity and completeness and other scientific applications of these large, high-redshift objects.

Towards Scalable Graph Computation on Mobile Devices.

PubMed

Chen, Yiqi; Lin, Zhiyuan; Pienta, Robert; Kahng, Minsuk; Chau, Duen Horng

2014-10-01

Mobile devices have become increasingly central to our everyday activities, due to their portability, multi-touch capabilities, and ever-improving computational power. Such attractive features have spurred research interest in leveraging mobile devices for computation. We explore a novel approach that aims to use a single mobile device to perform scalable graph computation on large graphs that do not fit in the device's limited main memory, opening up the possibility of performing on-device analysis of large datasets, without relying on the cloud. Based on the familiar memory mapping capability provided by today's mobile operating systems, our approach to scale up computation is powerful and intentionally kept simple to maximize its applicability across the iOS and Android platforms. Our experiments demonstrate that an iPad mini can perform fast computation on large real graphs with as many as 272 million edges (Google+ social graph), at a speed that is only a few times slower than a 13″ Macbook Pro. Through creating a real world iOS app with this technique, we demonstrate the strong potential application for scalable graph computation on a single mobile device using our approach.

Towards Scalable Graph Computation on Mobile Devices

PubMed Central

Chen, Yiqi; Lin, Zhiyuan; Pienta, Robert; Kahng, Minsuk; Chau, Duen Horng

2015-01-01

Mobile devices have become increasingly central to our everyday activities, due to their portability, multi-touch capabilities, and ever-improving computational power. Such attractive features have spurred research interest in leveraging mobile devices for computation. We explore a novel approach that aims to use a single mobile device to perform scalable graph computation on large graphs that do not fit in the device's limited main memory, opening up the possibility of performing on-device analysis of large datasets, without relying on the cloud. Based on the familiar memory mapping capability provided by today's mobile operating systems, our approach to scale up computation is powerful and intentionally kept simple to maximize its applicability across the iOS and Android platforms. Our experiments demonstrate that an iPad mini can perform fast computation on large real graphs with as many as 272 million edges (Google+ social graph), at a speed that is only a few times slower than a 13″ Macbook Pro. Through creating a real world iOS app with this technique, we demonstrate the strong potential application for scalable graph computation on a single mobile device using our approach. PMID:25859564

NASA Exhibits

NASA Technical Reports Server (NTRS)

Deardorff, Glenn; Djomehri, M. Jahed; Freeman, Ken; Gambrel, Dave; Green, Bryan; Henze, Chris; Hinke, Thomas; Hood, Robert; Kiris, Cetin; Moran, Patrick;

Compiling Planning into Quantum Optimization Problems: A Comparative Study

DTIC Science & Technology

2015-06-07

and Sipser, M. 2000. Quantum computation by adiabatic evolution. arXiv:quant- ph/0001106. Fikes, R. E., and Nilsson, N. J. 1972. STRIPS: A new...become available: quantum annealing. Quantum annealing is one of the most accessible quantum algorithms for a computer sci- ence audience not versed...in quantum computing because of its close ties to classical optimization algorithms such as simulated annealing. While large-scale universal quantum

Studying an Eulerian Computer Model on Different High-performance Computer Platforms and Some Applications

NASA Astrophysics Data System (ADS)

Georgiev, K.; Zlatev, Z.

2010-11-01

The Danish Eulerian Model (DEM) is an Eulerian model for studying the transport of air pollutants on large scale. Originally, the model was developed at the National Environmental Research Institute of Denmark. The model computational domain covers Europe and some neighbour parts belong to the Atlantic Ocean, Asia and Africa. If DEM model is to be applied by using fine grids, then its discretization leads to a huge computational problem. This implies that such a model as DEM must be run only on high-performance computer architectures. The implementation and tuning of such a complex large-scale model on each different computer is a non-trivial task. Here, some comparison results of running of this model on different kind of vector (CRAY C92A, Fujitsu, etc.), parallel computers with distributed memory (IBM SP, CRAY T3E, Beowulf clusters, Macintosh G4 clusters, etc.), parallel computers with shared memory (SGI Origin, SUN, etc.) and parallel computers with two levels of parallelism (IBM SMP, IBM BlueGene/P, clusters of multiprocessor nodes, etc.) will be presented. The main idea in the parallel version of DEM is domain partitioning approach. Discussions according to the effective use of the cache and hierarchical memories of the modern computers as well as the performance, speed-ups and efficiency achieved will be done. The parallel code of DEM, created by using MPI standard library, appears to be highly portable and shows good efficiency and scalability on different kind of vector and parallel computers. Some important applications of the computer model output are presented in short.

Numerical simulation using vorticity-vector potential formulation

NASA Technical Reports Server (NTRS)

Tokunaga, Hiroshi

1993-01-01

An accurate and efficient computational method is needed for three-dimensional incompressible viscous flows in engineering applications. On solving the turbulent shear flows directly or using the subgrid scale model, it is indispensable to resolve the small scale fluid motions as well as the large scale motions. From this point of view, the pseudo-spectral method is used so far as the computational method. However, the finite difference or the finite element methods are widely applied for computing the flow with practical importance since these methods are easily applied to the flows with complex geometric configurations. However, there exist several problems in applying the finite difference method to direct and large eddy simulations. Accuracy is one of most important problems. This point was already addressed by the present author on the direct simulations on the instability of the plane Poiseuille flow and also on the transition to turbulence. In order to obtain high efficiency, the multi-grid Poisson solver is combined with the higher-order, accurate finite difference method. The formulation method is also one of the most important problems in applying the finite difference method to the incompressible turbulent flows. The three-dimensional Navier-Stokes equations have been solved so far in the primitive variables formulation. One of the major difficulties of this method is the rigorous satisfaction of the equation of continuity. In general, the staggered grid is used for the satisfaction of the solenoidal condition for the velocity field at the wall boundary. However, the velocity field satisfies the equation of continuity automatically in the vorticity-vector potential formulation. From this point of view, the vorticity-vector potential method was extended to the generalized coordinate system. In the present article, we adopt the vorticity-vector potential formulation, the generalized coordinate system, and the 4th-order accurate difference method as the computational method. We present the computational method and apply the present method to computations of flows in a square cavity at large Reynolds number in order to investigate its effectiveness.

Genome-wide computational prediction and analysis of core promoter elements across plant monocots and dicots

USDA-ARS?s Scientific Manuscript database

Transcription initiation, essential to gene expression regulation, involves recruitment of basal transcription factors to the core promoter elements (CPEs). The distribution of currently known CPEs across plant genomes is largely unknown. This is the first large scale genome-wide report on the compu...

Computerization of Library and Information Services in Mainland China.

ERIC Educational Resources Information Center

Lin, Sharon Chien

1994-01-01

Describes two phases of the automation of library and information services in mainland China. From 1974-86, much effort was concentrated on developing computer systems, databases, online retrieval, and networking. From 1986 to the present, practical progress became possible largely because of CD-ROM technology; and large scale networking for…

Large-Scale Modeling of Epileptic Seizures: Scaling Properties of Two Parallel Neuronal Network Simulation Algorithms

DOE PAGES

Pesce, Lorenzo L.; Lee, Hyong C.; Hereld, Mark; ...

2013-01-01

Our limited understanding of the relationship between the behavior of individual neurons and large neuronal networks is an important limitation in current epilepsy research and may be one of the main causes of our inadequate ability to treat it. Addressing this problem directly via experiments is impossibly complex; thus, we have been developing and studying medium-large-scale simulations of detailed neuronal networks to guide us. Flexibility in the connection schemas and a complete description of the cortical tissue seem necessary for this purpose. In this paper we examine some of the basic issues encountered in these multiscale simulations. We have determinedmore » the detailed behavior of two such simulators on parallel computer systems. The observed memory and computation-time scaling behavior for a distributed memory implementation were very good over the range studied, both in terms of network sizes (2,000 to 400,000 neurons) and processor pool sizes (1 to 256 processors). Our simulations required between a few megabytes and about 150 gigabytes of RAM and lasted between a few minutes and about a week, well within the capability of most multinode clusters. Therefore, simulations of epileptic seizures on networks with millions of cells should be feasible on current supercomputers.« less

Accelerating large-scale simulation of seismic wave propagation by multi-GPUs and three-dimensional domain decomposition

NASA Astrophysics Data System (ADS)

Okamoto, Taro; Takenaka, Hiroshi; Nakamura, Takeshi; Aoki, Takayuki

2010-12-01

We adopted the GPU (graphics processing unit) to accelerate the large-scale finite-difference simulation of seismic wave propagation. The simulation can benefit from the high-memory bandwidth of GPU because it is a "memory intensive" problem. In a single-GPU case we achieved a performance of about 56 GFlops, which was about 45-fold faster than that achieved by a single core of the host central processing unit (CPU). We confirmed that the optimized use of fast shared memory and registers were essential for performance. In the multi-GPU case with three-dimensional domain decomposition, the non-contiguous memory alignment in the ghost zones was found to impose quite long time in data transfer between GPU and the host node. This problem was solved by using contiguous memory buffers for ghost zones. We achieved a performance of about 2.2 TFlops by using 120 GPUs and 330 GB of total memory: nearly (or more than) 2200 cores of host CPUs would be required to achieve the same performance. The weak scaling was nearly proportional to the number of GPUs. We therefore conclude that GPU computing for large-scale simulation of seismic wave propagation is a promising approach as a faster simulation is possible with reduced computational resources compared to CPUs.

A statics-dynamics equivalence through the fluctuation–dissipation ratio provides a window into the spin-glass phase from nonequilibrium measurements

PubMed Central

Baity-Jesi, Marco; Calore, Enrico; Cruz, Andres; Fernandez, Luis Antonio; Gil-Narvión, José Miguel; Gordillo-Guerrero, Antonio; Iñiguez, David; Maiorano, Andrea; Marinari, Enzo; Martin-Mayor, Victor; Monforte-Garcia, Jorge; Muñoz Sudupe, Antonio; Navarro, Denis; Parisi, Giorgio; Perez-Gaviro, Sergio; Ricci-Tersenghi, Federico; Ruiz-Lorenzo, Juan Jesus; Schifano, Sebastiano Fabio; Tarancón, Alfonso; Tripiccione, Raffaele; Yllanes, David

2017-01-01

We have performed a very accurate computation of the nonequilibrium fluctuation–dissipation ratio for the 3D Edwards–Anderson Ising spin glass, by means of large-scale simulations on the special-purpose computers Janus and Janus II. This ratio (computed for finite times on very large, effectively infinite, systems) is compared with the equilibrium probability distribution of the spin overlap for finite sizes. Our main result is a quantitative statics-dynamics dictionary, which could allow the experimental exploration of important features of the spin-glass phase without requiring uncontrollable extrapolations to infinite times or system sizes. PMID:28174274

Statistical Model Applied to NetFlow for Network Intrusion Detection

NASA Astrophysics Data System (ADS)

Proto, André; Alexandre, Leandro A.; Batista, Maira L.; Oliveira, Isabela L.; Cansian, Adriano M.

The computers and network services became presence guaranteed in several places. These characteristics resulted in the growth of illicit events and therefore the computers and networks security has become an essential point in any computing environment. Many methodologies were created to identify these events; however, with increasing of users and services on the Internet, many difficulties are found in trying to monitor a large network environment. This paper proposes a methodology for events detection in large-scale networks. The proposal approaches the anomaly detection using the NetFlow protocol, statistical methods and monitoring the environment in a best time for the application.

Global investigation of protein-protein interactions in yeast Saccharomyces cerevisiae using re-occurring short polypeptide sequences.

PubMed

Pitre, S; North, C; Alamgir, M; Jessulat, M; Chan, A; Luo, X; Green, J R; Dumontier, M; Dehne, F; Golshani, A

2008-08-01

Protein-protein interaction (PPI) maps provide insight into cellular biology and have received considerable attention in the post-genomic era. While large-scale experimental approaches have generated large collections of experimentally determined PPIs, technical limitations preclude certain PPIs from detection. Recently, we demonstrated that yeast PPIs can be computationally predicted using re-occurring short polypeptide sequences between known interacting protein pairs. However, the computational requirements and low specificity made this method unsuitable for large-scale investigations. Here, we report an improved approach, which exhibits a specificity of approximately 99.95% and executes 16,000 times faster. Importantly, we report the first all-to-all sequence-based computational screen of PPIs in yeast, Saccharomyces cerevisiae in which we identify 29,589 high confidence interactions of approximately 2 x 10(7) possible pairs. Of these, 14,438 PPIs have not been previously reported and may represent novel interactions. In particular, these results reveal a richer set of membrane protein interactions, not readily amenable to experimental investigations. From the novel PPIs, a novel putative protein complex comprised largely of membrane proteins was revealed. In addition, two novel gene functions were predicted and experimentally confirmed to affect the efficiency of non-homologous end-joining, providing further support for the usefulness of the identified PPIs in biological investigations.

On the predictivity of pore-scale simulations: Estimating uncertainties with multilevel Monte Carlo

NASA Astrophysics Data System (ADS)

Icardi, Matteo; Boccardo, Gianluca; Tempone, Raúl

2016-09-01

A fast method with tunable accuracy is proposed to estimate errors and uncertainties in pore-scale and Digital Rock Physics (DRP) problems. The overall predictivity of these studies can be, in fact, hindered by many factors including sample heterogeneity, computational and imaging limitations, model inadequacy and not perfectly known physical parameters. The typical objective of pore-scale studies is the estimation of macroscopic effective parameters such as permeability, effective diffusivity and hydrodynamic dispersion. However, these are often non-deterministic quantities (i.e., results obtained for specific pore-scale sample and setup are not totally reproducible by another ;equivalent; sample and setup). The stochastic nature can arise due to the multi-scale heterogeneity, the computational and experimental limitations in considering large samples, and the complexity of the physical models. These approximations, in fact, introduce an error that, being dependent on a large number of complex factors, can be modeled as random. We propose a general simulation tool, based on multilevel Monte Carlo, that can reduce drastically the computational cost needed for computing accurate statistics of effective parameters and other quantities of interest, under any of these random errors. This is, to our knowledge, the first attempt to include Uncertainty Quantification (UQ) in pore-scale physics and simulation. The method can also provide estimates of the discretization error and it is tested on three-dimensional transport problems in heterogeneous materials, where the sampling procedure is done by generation algorithms able to reproduce realistic consolidated and unconsolidated random sphere and ellipsoid packings and arrangements. A totally automatic workflow is developed in an open-source code [1], that include rigid body physics and random packing algorithms, unstructured mesh discretization, finite volume solvers, extrapolation and post-processing techniques. The proposed method can be efficiently used in many porous media applications for problems such as stochastic homogenization/upscaling, propagation of uncertainty from microscopic fluid and rock properties to macro-scale parameters, robust estimation of Representative Elementary Volume size for arbitrary physics.

Computation of Large-Scale Structure Jet Noise Sources With Weak Nonlinear Effects Using Linear Euler

NASA Technical Reports Server (NTRS)

Dahl, Milo D.; Hixon, Ray; Mankbadi, Reda R.

2003-01-01

An approximate technique is presented for the prediction of the large-scale turbulent structure sound source in a supersonic jet. A linearized Euler equations code is used to solve for the flow disturbances within and near a jet with a given mean flow. Assuming a normal mode composition for the wave-like disturbances, the linear radial profiles are used in an integration of the Navier-Stokes equations. This results in a set of ordinary differential equations representing the weakly nonlinear self-interactions of the modes along with their interaction with the mean flow. Solutions are then used to correct the amplitude of the disturbances that represent the source of large-scale turbulent structure sound in the jet.

Large-scale solar magnetic fields and H-alpha patterns

NASA Technical Reports Server (NTRS)

Mcintosh, P. S.

1972-01-01

Coronal and interplanetary magnetic fields computed from measurements of large-scale photospheric magnetic fields suffer from interruptions in day-to-day observations and the limitation of using only measurements made near the solar central meridian. Procedures were devised for inferring the lines of polarity reversal from H-alpha solar patrol photographs that map the same large-scale features found on Mt. Wilson magnetograms. These features may be monitored without interruption by combining observations from the global network of observatories associated with NOAA's Space Environment Services Center. The patterns of inferred magnetic fields may be followed accurately as far as 60 deg from central meridian. Such patterns will be used to improve predictions of coronal features during the next solar eclipse.

Full-color digitized holography for large-scale holographic 3D imaging of physical and nonphysical objects.

PubMed

Matsushima, Kyoji; Sonobe, Noriaki

2018-01-01

Digitized holography techniques are used to reconstruct three-dimensional (3D) images of physical objects using large-scale computer-generated holograms (CGHs). The object field is captured at three wavelengths over a wide area at high densities. Synthetic aperture techniques using single sensors are used for image capture in phase-shifting digital holography. The captured object field is incorporated into a virtual 3D scene that includes nonphysical objects, e.g., polygon-meshed CG models. The synthetic object field is optically reconstructed as a large-scale full-color CGH using red-green-blue color filters. The CGH has a wide full-parallax viewing zone and reconstructs a deep 3D scene with natural motion parallax.

3-D imaging of large scale buried structure by 1-D inversion of very early time electromagnetic (VETEM) data

USGS Publications Warehouse

Aydmer, A.A.; Chew, W.C.; Cui, T.J.; Wright, D.L.; Smith, D.V.; Abraham, J.D.

2001-01-01

A simple and efficient method for large scale three-dimensional (3-D) subsurface imaging of inhomogeneous background is presented. One-dimensional (1-D) multifrequency distorted Born iterative method (DBIM) is employed in the inversion. Simulation results utilizing synthetic scattering data are given. Calibration of the very early time electromagnetic (VETEM) experimental waveforms is detailed along with major problems encountered in practice and their solutions. This discussion is followed by the results of a large scale application of the method to the experimental data provided by the VETEM system of the U.S. Geological Survey. The method is shown to have a computational complexity that is promising for on-site inversion.

Recursive renormalization group theory based subgrid modeling

NASA Technical Reports Server (NTRS)

Zhou, YE

1991-01-01

Advancing the knowledge and understanding of turbulence theory is addressed. Specific problems to be addressed will include studies of subgrid models to understand the effects of unresolved small scale dynamics on the large scale motion which, if successful, might substantially reduce the number of degrees of freedom that need to be computed in turbulence simulation.

Lagrangian velocity and acceleration correlations of large inertial particles in a closed turbulent flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Machicoane, Nathanaël; Volk, Romain

We investigate the response of large inertial particle to turbulent fluctuations in an inhomogeneous and anisotropic flow. We conduct a Lagrangian study using particles both heavier and lighter than the surrounding fluid, and whose diameters are comparable to the flow integral scale. Both velocity and acceleration correlation functions are analyzed to compute the Lagrangian integral time and the acceleration time scale of such particles. The knowledge of how size and density affect these time scales is crucial in understanding particle dynamics and may permit stochastic process modelization using two-time models (for instance, Sawford’s). As particles are tracked over long timesmore » in the quasi-totality of a closed flow, the mean flow influences their behaviour and also biases the velocity time statistics, in particular the velocity correlation functions. By using a method that allows for the computation of turbulent velocity trajectories, we can obtain unbiased Lagrangian integral time. This is particularly useful in accessing the scale separation for such particles and to comparing it to the case of fluid particles in a similar configuration.« less

Influence of large-scale motion on turbulent transport for confined coaxial jets. Volume 2: Navier-Stokes calculations of swirling and nonswirling confined coaxial jets

NASA Technical Reports Server (NTRS)

Weinberg, B. C.; Mcdonald, H.

1986-01-01

The existence of large scale coherent structures in turbulent shear flows has been well documented. Discrepancies between experimental and computational data suggest a necessity to understand the roles they play in mass and momentum transport. Using conditional sampling and averaging on coincident two-component velocity and concentration velocity experimental data for swirling and nonswirling coaxial jets, triggers for identifying the structures were examined. Concentration fluctuation was found to be an adequate trigger or indicator for the concentration-velocity data, but no suitable detector was located for the two-component velocity data. The large scale structures are found in the region where the largest discrepancies exist between model and experiment. The traditional gradient transport model does not fit in this region as a result of these structures. The large scale motion was found to be responsible for a large percentage of the axial mass transport. The large scale structures were found to convect downstream at approximately the mean velocity of the overall flow in the axial direction. The radial mean velocity of the structures was found to be substantially greater than that of the overall flow.

The Next Frontier in Computing

ScienceCinema

Sarrao, John

2018-06-13

Exascale computing refers to computing systems capable of at least one exaflop or a billion calculations per second (1018). That is 50 times faster than the most powerful supercomputers being used today and represents a thousand-fold increase over the first petascale computer that came into operation in 2008. How we use these large-scale simulation resources is the key to solving some of today’s most pressing problems, including clean energy production, nuclear reactor lifetime extension and nuclear stockpile aging.

Evaluating 20th Century precipitation characteristics between multi-scale atmospheric models with different land-atmosphere coupling

NASA Astrophysics Data System (ADS)

Phillips, M.; Denning, A. S.; Randall, D. A.; Branson, M.

2016-12-01

Multi-scale models of the atmosphere provide an opportunity to investigate processes that are unresolved by traditional Global Climate Models while at the same time remaining viable in terms of computational resources for climate-length time scales. The MMF represents a shift away from large horizontal grid spacing in traditional GCMs that leads to overabundant light precipitation and lack of heavy events, toward a model where precipitation intensity is allowed to vary over a much wider range of values. Resolving atmospheric motions on the scale of 4 km makes it possible to recover features of precipitation, such as intense downpours, that were previously only obtained by computationally expensive regional simulations. These heavy precipitation events may have little impact on large-scale moisture and energy budgets, but are outstanding in terms of interaction with the land surface and potential impact on human life. Three versions of the Community Earth System Model were used in this study; the standard CESM, the multi-scale `Super-Parameterized' CESM where large-scale parameterizations have been replaced with a 2D cloud-permitting model, and a multi-instance land version of the SP-CESM where each column of the 2D CRM is allowed to interact with an individual land unit. These simulations were carried out using prescribed Sea Surface Temperatures for the period from 1979-2006 with daily precipitation saved for all 28 years. Comparisons of the statistical properties of precipitation between model architectures and against observations from rain gauges were made, with specific focus on detection and evaluation of extreme precipitation events.

Formulating a subgrid-scale breakup model for microbubble generation from interfacial collisions

NASA Astrophysics Data System (ADS)

Chan, Wai Hong Ronald; Mirjalili, Shahab; Urzay, Javier; Mani, Ali; Moin, Parviz

2017-11-01

Multiphase flows often involve impact events that engender important effects like the generation of a myriad of tiny bubbles that are subsequently transported in large liquid bodies. These impact events are created by large-scale phenomena like breaking waves on ocean surfaces, and often involve the relative approach of liquid surfaces. This relative motion generates continuously shrinking length scales as the entrapped gas layer thins and eventually breaks up into microbubbles. The treatment of this disparity in length scales is computationally challenging. In this presentation, a framework is presented that addresses a subgrid-scale (SGS) model aimed at capturing the process of microbubble generation. This work sets up the components in an overarching volume-of-fluid (VoF) toolset and investigates the analytical foundations of an SGS model for describing the breakup of a thin air film trapped between two approaching water bodies in a physical regime corresponding to Mesler entrainment. Constituents of the SGS model, such as the identification of impact events and the accurate computation of the local characteristic curvature in a VoF-based architecture, and the treatment of the air layer breakup, are discussed and illustrated in simplified scenarios. Supported by Office of Naval Research (ONR)/A*STAR (Singapore).

A Parallel Distributed-Memory Particle Method Enables Acquisition-Rate Segmentation of Large Fluorescence Microscopy Images

PubMed Central

Afshar, Yaser; Sbalzarini, Ivo F.

2016-01-01

Modern fluorescence microscopy modalities, such as light-sheet microscopy, are capable of acquiring large three-dimensional images at high data rate. This creates a bottleneck in computational processing and analysis of the acquired images, as the rate of acquisition outpaces the speed of processing. Moreover, images can be so large that they do not fit the main memory of a single computer. We address both issues by developing a distributed parallel algorithm for segmentation of large fluorescence microscopy images. The method is based on the versatile Discrete Region Competition algorithm, which has previously proven useful in microscopy image segmentation. The present distributed implementation decomposes the input image into smaller sub-images that are distributed across multiple computers. Using network communication, the computers orchestrate the collectively solving of the global segmentation problem. This not only enables segmentation of large images (we test images of up to 1010 pixels), but also accelerates segmentation to match the time scale of image acquisition. Such acquisition-rate image segmentation is a prerequisite for the smart microscopes of the future and enables online data compression and interactive experiments. PMID:27046144

A Parallel Distributed-Memory Particle Method Enables Acquisition-Rate Segmentation of Large Fluorescence Microscopy Images.

PubMed

Afshar, Yaser; Sbalzarini, Ivo F

2016-01-01

Modern fluorescence microscopy modalities, such as light-sheet microscopy, are capable of acquiring large three-dimensional images at high data rate. This creates a bottleneck in computational processing and analysis of the acquired images, as the rate of acquisition outpaces the speed of processing. Moreover, images can be so large that they do not fit the main memory of a single computer. We address both issues by developing a distributed parallel algorithm for segmentation of large fluorescence microscopy images. The method is based on the versatile Discrete Region Competition algorithm, which has previously proven useful in microscopy image segmentation. The present distributed implementation decomposes the input image into smaller sub-images that are distributed across multiple computers. Using network communication, the computers orchestrate the collectively solving of the global segmentation problem. This not only enables segmentation of large images (we test images of up to 10(10) pixels), but also accelerates segmentation to match the time scale of image acquisition. Such acquisition-rate image segmentation is a prerequisite for the smart microscopes of the future and enables online data compression and interactive experiments.

Statistical Surrogate Modeling of Atmospheric Dispersion Events Using Bayesian Adaptive Splines

NASA Astrophysics Data System (ADS)

Francom, D.; Sansó, B.; Bulaevskaya, V.; Lucas, D. D.

2016-12-01

Uncertainty in the inputs of complex computer models, including atmospheric dispersion and transport codes, is often assessed via statistical surrogate models. Surrogate models are computationally efficient statistical approximations of expensive computer models that enable uncertainty analysis. We introduce Bayesian adaptive spline methods for producing surrogate models that capture the major spatiotemporal patterns of the parent model, while satisfying all the necessities of flexibility, accuracy and computational feasibility. We present novel methodological and computational approaches motivated by a controlled atmospheric tracer release experiment conducted at the Diablo Canyon nuclear power plant in California. Traditional methods for building statistical surrogate models often do not scale well to experiments with large amounts of data. Our approach is well suited to experiments involving large numbers of model inputs, large numbers of simulations, and functional output for each simulation. Our approach allows us to perform global sensitivity analysis with ease. We also present an approach to calibration of simulators using field data.

Semantics-based distributed I/O with the ParaMEDIC framework.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balaji, P.; Feng, W.; Lin, H.

2008-01-01

Many large-scale applications simultaneously rely on multiple resources for efficient execution. For example, such applications may require both large compute and storage resources; however, very few supercomputing centers can provide large quantities of both. Thus, data generated at the compute site oftentimes has to be moved to a remote storage site for either storage or visualization and analysis. Clearly, this is not an efficient model, especially when the two sites are distributed over a wide-area network. Thus, we present a framework called 'ParaMEDIC: Parallel Metadata Environment for Distributed I/O and Computing' which uses application-specific semantic information to convert the generatedmore » data to orders-of-magnitude smaller metadata at the compute site, transfer the metadata to the storage site, and re-process the metadata at the storage site to regenerate the output. Specifically, ParaMEDIC trades a small amount of additional computation (in the form of data post-processing) for a potentially significant reduction in data that needs to be transferred in distributed environments.« less

RGCA: A Reliable GPU Cluster Architecture for Large-Scale Internet of Things Computing Based on Effective Performance-Energy Optimization

PubMed Central

Chen, Qingkui; Zhao, Deyu; Wang, Jingjuan

2017-01-01

This paper aims to develop a low-cost, high-performance and high-reliability computing system to process large-scale data using common data mining algorithms in the Internet of Things (IoT) computing environment. Considering the characteristics of IoT data processing, similar to mainstream high performance computing, we use a GPU (Graphics Processing Unit) cluster to achieve better IoT services. Firstly, we present an energy consumption calculation method (ECCM) based on WSNs. Then, using the CUDA (Compute Unified Device Architecture) Programming model, we propose a Two-level Parallel Optimization Model (TLPOM) which exploits reasonable resource planning and common compiler optimization techniques to obtain the best blocks and threads configuration considering the resource constraints of each node. The key to this part is dynamic coupling Thread-Level Parallelism (TLP) and Instruction-Level Parallelism (ILP) to improve the performance of the algorithms without additional energy consumption. Finally, combining the ECCM and the TLPOM, we use the Reliable GPU Cluster Architecture (RGCA) to obtain a high-reliability computing system considering the nodes’ diversity, algorithm characteristics, etc. The results show that the performance of the algorithms significantly increased by 34.1%, 33.96% and 24.07% for Fermi, Kepler and Maxwell on average with TLPOM and the RGCA ensures that our IoT computing system provides low-cost and high-reliability services. PMID:28777325

RGCA: A Reliable GPU Cluster Architecture for Large-Scale Internet of Things Computing Based on Effective Performance-Energy Optimization.

PubMed

Fang, Yuling; Chen, Qingkui; Xiong, Neal N; Zhao, Deyu; Wang, Jingjuan

2017-08-04

This paper aims to develop a low-cost, high-performance and high-reliability computing system to process large-scale data using common data mining algorithms in the Internet of Things (IoT) computing environment. Considering the characteristics of IoT data processing, similar to mainstream high performance computing, we use a GPU (Graphics Processing Unit) cluster to achieve better IoT services. Firstly, we present an energy consumption calculation method (ECCM) based on WSNs. Then, using the CUDA (Compute Unified Device Architecture) Programming model, we propose a Two-level Parallel Optimization Model (TLPOM) which exploits reasonable resource planning and common compiler optimization techniques to obtain the best blocks and threads configuration considering the resource constraints of each node. The key to this part is dynamic coupling Thread-Level Parallelism (TLP) and Instruction-Level Parallelism (ILP) to improve the performance of the algorithms without additional energy consumption. Finally, combining the ECCM and the TLPOM, we use the Reliable GPU Cluster Architecture (RGCA) to obtain a high-reliability computing system considering the nodes' diversity, algorithm characteristics, etc. The results show that the performance of the algorithms significantly increased by 34.1%, 33.96% and 24.07% for Fermi, Kepler and Maxwell on average with TLPOM and the RGCA ensures that our IoT computing system provides low-cost and high-reliability services.

Cortical circuitry implementing graphical models.

PubMed

Litvak, Shai; Ullman, Shimon

2009-11-01

In this letter, we develop and simulate a large-scale network of spiking neurons that approximates the inference computations performed by graphical models. Unlike previous related schemes, which used sum and product operations in either the log or linear domains, the current model uses an inference scheme based on the sum and maximization operations in the log domain. Simulations show that using these operations, a large-scale circuit, which combines populations of spiking neurons as basic building blocks, is capable of finding close approximations to the full mathematical computations performed by graphical models within a few hundred milliseconds. The circuit is general in the sense that it can be wired for any graph structure, it supports multistate variables, and it uses standard leaky integrate-and-fire neuronal units. Following previous work, which proposed relations between graphical models and the large-scale cortical anatomy, we focus on the cortical microcircuitry and propose how anatomical and physiological aspects of the local circuitry may map onto elements of the graphical model implementation. We discuss in particular the roles of three major types of inhibitory neurons (small fast-spiking basket cells, large layer 2/3 basket cells, and double-bouquet neurons), subpopulations of strongly interconnected neurons with their unique connectivity patterns in different cortical layers, and the possible role of minicolumns in the realization of the population-based maximum operation.

epiDMS: Data Management and Analytics for Decision-Making From Epidemic Spread Simulation Ensembles.

PubMed

Liu, Sicong; Poccia, Silvestro; Candan, K Selçuk; Chowell, Gerardo; Sapino, Maria Luisa

2016-12-01

Carefully calibrated large-scale computational models of epidemic spread represent a powerful tool to support the decision-making process during epidemic emergencies. Epidemic models are being increasingly used for generating forecasts of the spatial-temporal progression of epidemics at different spatial scales and for assessing the likely impact of different intervention strategies. However, the management and analysis of simulation ensembles stemming from large-scale computational models pose challenges, particularly when dealing with multiple interdependent parameters, spanning multiple layers and geospatial frames, affected by complex dynamic processes operating at different resolutions. We describe and illustrate with examples a novel epidemic simulation data management system, epiDMS, that was developed to address the challenges that arise from the need to generate, search, visualize, and analyze, in a scalable manner, large volumes of epidemic simulation ensembles and observations during the progression of an epidemic. epiDMS is a publicly available system that facilitates management and analysis of large epidemic simulation ensembles. epiDMS aims to fill an important hole in decision-making during healthcare emergencies by enabling critical services with significant economic and health impact. © The Author 2016. Published by Oxford University Press for the Infectious Diseases Society of America. All rights reserved. For permissions, e-mail journals.permissions@oup.com.

Reverse engineering and analysis of large genome-scale gene networks

PubMed Central

Aluru, Maneesha; Zola, Jaroslaw; Nettleton, Dan; Aluru, Srinivas

2013-01-01

Reverse engineering the whole-genome networks of complex multicellular organisms continues to remain a challenge. While simpler models easily scale to large number of genes and gene expression datasets, more accurate models are compute intensive limiting their scale of applicability. To enable fast and accurate reconstruction of large networks, we developed Tool for Inferring Network of Genes (TINGe), a parallel mutual information (MI)-based program. The novel features of our approach include: (i) B-spline-based formulation for linear-time computation of MI, (ii) a novel algorithm for direct permutation testing and (iii) development of parallel algorithms to reduce run-time and facilitate construction of large networks. We assess the quality of our method by comparison with ARACNe (Algorithm for the Reconstruction of Accurate Cellular Networks) and GeneNet and demonstrate its unique capability by reverse engineering the whole-genome network of Arabidopsis thaliana from 3137 Affymetrix ATH1 GeneChips in just 9 min on a 1024-core cluster. We further report on the development of a new software Gene Network Analyzer (GeNA) for extracting context-specific subnetworks from a given set of seed genes. Using TINGe and GeNA, we performed analysis of 241 Arabidopsis AraCyc 8.0 pathways, and the results are made available through the web. PMID:23042249

Large-angle correlations in the cosmic microwave background

NASA Astrophysics Data System (ADS)

Efstathiou, George; Ma, Yin-Zhe; Hanson, Duncan

2010-10-01

It has been argued recently by Copi et al. 2009 that the lack of large angular correlations of the CMB temperature field provides strong evidence against the standard, statistically isotropic, inflationary Lambda cold dark matter (ΛCDM) cosmology. We compare various estimators of the temperature correlation function showing how they depend on assumptions of statistical isotropy and how they perform on the Wilkinson Microwave Anisotropy Probe (WMAP) 5-yr Internal Linear Combination (ILC) maps with and without a sky cut. We show that the low multipole harmonics that determine the large-scale features of the temperature correlation function can be reconstructed accurately from the data that lie outside the sky cuts. The reconstructions are only weakly dependent on the assumed statistical properties of the temperature field. The temperature correlation functions computed from these reconstructions are in good agreement with those computed from the ILC map over the whole sky. We conclude that the large-scale angular correlation function for our realization of the sky is well determined. A Bayesian analysis of the large-scale correlations is presented, which shows that the data cannot exclude the standard ΛCDM model. We discuss the differences between our results and those of Copi et al. Either there exists a violation of statistical isotropy as claimed by Copi et al., or these authors have overestimated the significance of the discrepancy because of a posteriori choices of estimator, statistic and sky cut.

The Numerical Propulsion System Simulation: An Overview

NASA Technical Reports Server (NTRS)

Lytle, John K.

2000-01-01

Advances in computational technology and in physics-based modeling are making large-scale, detailed simulations of complex systems possible within the design environment. For example, the integration of computing, communications, and aerodynamics has reduced the time required to analyze major propulsion system components from days and weeks to minutes and hours. This breakthrough has enabled the detailed simulation of major propulsion system components to become a routine part of designing systems, providing the designer with critical information about the components early in the design process. This paper describes the development of the numerical propulsion system simulation (NPSS), a modular and extensible framework for the integration of multicomponent and multidisciplinary analysis tools using geographically distributed resources such as computing platforms, data bases, and people. The analysis is currently focused on large-scale modeling of complete aircraft engines. This will provide the product developer with a "virtual wind tunnel" that will reduce the number of hardware builds and tests required during the development of advanced aerospace propulsion systems.

DENA: A Configurable Microarchitecture and Design Flow for Biomedical DNA-Based Logic Design.

PubMed

Beiki, Zohre; Jahanian, Ali

2017-10-01

DNA is known as the building block for storing the life codes and transferring the genetic features through the generations. However, it is found that DNA strands can be used for a new type of computation that opens fascinating horizons in computational medicine. Significant contributions are addressed on design of DNA-based logic gates for medical and computational applications but there are serious challenges for designing the medium and large-scale DNA circuits. In this paper, a new microarchitecture and corresponding design flow is proposed to facilitate the design of multistage large-scale DNA logic systems. Feasibility and efficiency of the proposed microarchitecture are evaluated by implementing a full adder and, then, its cascadability is determined by implementing a multistage 8-bit adder. Simulation results show the highlight features of the proposed design style and microarchitecture in terms of the scalability, implementation cost, and signal integrity of the DNA-based logic system compared to the traditional approaches.

Computational Modeling in Structural Materials Processing

NASA Technical Reports Server (NTRS)

Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

1997-01-01

High temperature materials such as silicon carbide, a variety of nitrides, and ceramic matrix composites find use in aerospace, automotive, machine tool industries and in high speed civil transport applications. Chemical vapor deposition (CVD) is widely used in processing such structural materials. Variations of CVD include deposition on substrates, coating of fibers, inside cavities and on complex objects, and infiltration within preforms called chemical vapor infiltration (CVI). Our current knowledge of the process mechanisms, ability to optimize processes, and scale-up for large scale manufacturing is limited. In this regard, computational modeling of the processes is valuable since a validated model can be used as a design tool. The effort is similar to traditional chemically reacting flow modeling with emphasis on multicomponent diffusion, thermal diffusion, large sets of homogeneous reactions, and surface chemistry. In the case of CVI, models for pore infiltration are needed. In the present talk, examples of SiC nitride, and Boron deposition from the author's past work will be used to illustrate the utility of computational process modeling.

NASA's computer science research program

NASA Technical Reports Server (NTRS)

Larsen, R. L.

1983-01-01

Following a major assessment of NASA's computing technology needs, a new program of computer science research has been initiated by the Agency. The program includes work in concurrent processing, management of large scale scientific databases, software engineering, reliable computing, and artificial intelligence. The program is driven by applications requirements in computational fluid dynamics, image processing, sensor data management, real-time mission control and autonomous systems. It consists of university research, in-house NASA research, and NASA's Research Institute for Advanced Computer Science (RIACS) and Institute for Computer Applications in Science and Engineering (ICASE). The overall goal is to provide the technical foundation within NASA to exploit advancing computing technology in aerospace applications.

ELT-scale Adaptive Optics real-time control with thes Intel Xeon Phi Many Integrated Core Architecture

NASA Astrophysics Data System (ADS)

Jenkins, David R.; Basden, Alastair; Myers, Richard M.

2018-05-01

We propose a solution to the increased computational demands of Extremely Large Telescope (ELT) scale adaptive optics (AO) real-time control with the Intel Xeon Phi Knights Landing (KNL) Many Integrated Core (MIC) Architecture. The computational demands of an AO real-time controller (RTC) scale with the fourth power of telescope diameter and so the next generation ELTs require orders of magnitude more processing power for the RTC pipeline than existing systems. The Xeon Phi contains a large number (≥64) of low power x86 CPU cores and high bandwidth memory integrated into a single socketed server CPU package. The increased parallelism and memory bandwidth are crucial to providing the performance for reconstructing wavefronts with the required precision for ELT scale AO. Here, we demonstrate that the Xeon Phi KNL is capable of performing ELT scale single conjugate AO real-time control computation at over 1.0kHz with less than 20μs RMS jitter. We have also shown that with a wavefront sensor camera attached the KNL can process the real-time control loop at up to 966Hz, the maximum frame-rate of the camera, with jitter remaining below 20μs RMS. Future studies will involve exploring the use of a cluster of Xeon Phis for the real-time control of the MCAO and MOAO regimes of AO. We find that the Xeon Phi is highly suitable for ELT AO real time control.

Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity.

PubMed

Jung, Yousung; Shao, Yihan; Head-Gordon, Martin

2007-09-01

The scaled opposite spin Møller-Plesset method (SOS-MP2) is an economical way of obtaining correlation energies that are computationally cheaper, and yet, in a statistical sense, of higher quality than standard MP2 theory, by introducing one empirical parameter. But SOS-MP2 still has a fourth-order scaling step that makes the method inapplicable to very large molecular systems. We reduce the scaling of SOS-MP2 by exploiting the sparsity of expansion coefficients and local integral matrices, by performing local auxiliary basis expansions for the occupied-virtual product distributions. To exploit sparsity of 3-index local quantities, we use a blocking scheme in which entire zero-rows and columns, for a given third global index, are deleted by comparison against a numerical threshold. This approach minimizes sparse matrix book-keeping overhead, and also provides sufficiently large submatrices after blocking, to allow efficient matrix-matrix multiplies. The resulting algorithm is formally cubic scaling, and requires only moderate computational resources (quadratic memory and disk space) and, in favorable cases, is shown to yield effective quadratic scaling behavior in the size regime we can apply it to. Errors associated with local fitting using the attenuated Coulomb metric and numerical thresholds in the blocking procedure are found to be insignificant in terms of the predicted relative energies. A diverse set of test calculations shows that the size of system where significant computational savings can be achieved depends strongly on the dimensionality of the system, and the extent of localizability of the molecular orbitals. Copyright 2007 Wiley Periodicals, Inc.

Implementing Parquet equations using HPX

NASA Astrophysics Data System (ADS)

Kellar, Samuel; Wagle, Bibek; Yang, Shuxiang; Tam, Ka-Ming; Kaiser, Hartmut; Moreno, Juana; Jarrell, Mark

A new C++ runtime system (HPX) enables simulations of complex systems to run more efficiently on parallel and heterogeneous systems. This increased efficiency allows for solutions to larger simulations of the parquet approximation for a system with impurities. The relevancy of the parquet equations depends upon the ability to solve systems which require long runs and large amounts of memory. These limitations, in addition to numerical complications arising from stability of the solutions, necessitate running on large distributed systems. As the computational resources trend towards the exascale and the limitations arising from computational resources vanish efficiency of large scale simulations becomes a focus. HPX facilitates efficient simulations through intelligent overlapping of computation and communication. Simulations such as the parquet equations which require the transfer of large amounts of data should benefit from HPX implementations. Supported by the the NSF EPSCoR Cooperative Agreement No. EPS-1003897 with additional support from the Louisiana Board of Regents.

Conjugate-Gradient Algorithms For Dynamics Of Manipulators

NASA Technical Reports Server (NTRS)

Fijany, Amir; Scheid, Robert E.

1993-01-01

Algorithms for serial and parallel computation of forward dynamics of multiple-link robotic manipulators by conjugate-gradient method developed. Parallel algorithms have potential for speedup of computations on multiple linked, specialized processors implemented in very-large-scale integrated circuits. Such processors used to stimulate dynamics, possibly faster than in real time, for purposes of planning and control.

An Evaluation of the Conditions, Processes, and Consequences of Laptop Computing in K-12 Classrooms

ERIC Educational Resources Information Center

Cavanaugh, Cathy; Dawson, Kara; Ritzhaupt, Albert

2011-01-01

This article examines how laptop computing technology, teacher professional development, and systematic support resulted in changed teaching practices and increased student achievement in 47 K-12 schools in 11 Florida school districts. The overview of a large-scale study documents the type and magnitude of change in student-centered teaching,…

Inferring cortical function in the mouse visual system through large-scale systems neuroscience.

PubMed

Hawrylycz, Michael; Anastassiou, Costas; Arkhipov, Anton; Berg, Jim; Buice, Michael; Cain, Nicholas; Gouwens, Nathan W; Gratiy, Sergey; Iyer, Ramakrishnan; Lee, Jung Hoon; Mihalas, Stefan; Mitelut, Catalin; Olsen, Shawn; Reid, R Clay; Teeter, Corinne; de Vries, Saskia; Waters, Jack; Zeng, Hongkui; Koch, Christof

2016-07-05

The scientific mission of the Project MindScope is to understand neocortex, the part of the mammalian brain that gives rise to perception, memory, intelligence, and consciousness. We seek to quantitatively evaluate the hypothesis that neocortex is a relatively homogeneous tissue, with smaller functional modules that perform a common computational function replicated across regions. We here focus on the mouse as a mammalian model organism with genetics, physiology, and behavior that can be readily studied and manipulated in the laboratory. We seek to describe the operation of cortical circuitry at the computational level by comprehensively cataloging and characterizing its cellular building blocks along with their dynamics and their cell type-specific connectivities. The project is also building large-scale experimental platforms (i.e., brain observatories) to record the activity of large populations of cortical neurons in behaving mice subject to visual stimuli. A primary goal is to understand the series of operations from visual input in the retina to behavior by observing and modeling the physical transformations of signals in the corticothalamic system. We here focus on the contribution that computer modeling and theory make to this long-term effort.

Streaming parallel GPU acceleration of large-scale filter-based spiking neural networks.

PubMed

Slażyński, Leszek; Bohte, Sander

2012-01-01

The arrival of graphics processing (GPU) cards suitable for massively parallel computing promises affordable large-scale neural network simulation previously only available at supercomputing facilities. While the raw numbers suggest that GPUs may outperform CPUs by at least an order of magnitude, the challenge is to develop fine-grained parallel algorithms to fully exploit the particulars of GPUs. Computation in a neural network is inherently parallel and thus a natural match for GPU architectures: given inputs, the internal state for each neuron can be updated in parallel. We show that for filter-based spiking neurons, like the Spike Response Model, the additive nature of membrane potential dynamics enables additional update parallelism. This also reduces the accumulation of numerical errors when using single precision computation, the native precision of GPUs. We further show that optimizing simulation algorithms and data structures to the GPU's architecture has a large pay-off: for example, matching iterative neural updating to the memory architecture of the GPU speeds up this simulation step by a factor of three to five. With such optimizations, we can simulate in better-than-realtime plausible spiking neural networks of up to 50 000 neurons, processing over 35 million spiking events per second.

Performance of an MPI-only semiconductor device simulator on a quad socket/quad core InfiniBand platform.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shadid, John Nicolas; Lin, Paul Tinphone

2009-01-01

This preliminary study considers the scaling and performance of a finite element (FE) semiconductor device simulator on a capacity cluster with 272 compute nodes based on a homogeneous multicore node architecture utilizing 16 cores. The inter-node communication backbone for this Tri-Lab Linux Capacity Cluster (TLCC) machine is comprised of an InfiniBand interconnect. The nonuniform memory access (NUMA) nodes consist of 2.2 GHz quad socket/quad core AMD Opteron processors. The performance results for this study are obtained with a FE semiconductor device simulation code (Charon) that is based on a fully-coupled Newton-Krylov solver with domain decomposition and multilevel preconditioners. Scaling andmore » multicore performance results are presented for large-scale problems of 100+ million unknowns on up to 4096 cores. A parallel scaling comparison is also presented with the Cray XT3/4 Red Storm capability platform. The results indicate that an MPI-only programming model for utilizing the multicore nodes is reasonably efficient on all 16 cores per compute node. However, the results also indicated that the multilevel preconditioner, which is critical for large-scale capability type simulations, scales better on the Red Storm machine than the TLCC machine.« less

Large Eddy Simulation Study for Fluid Disintegration and Mixing

NASA Technical Reports Server (NTRS)

Bellan, Josette; Taskinoglu, Ezgi

2011-01-01

A new modeling approach is based on the concept of large eddy simulation (LES) within which the large scales are computed and the small scales are modeled. The new approach is expected to retain the fidelity of the physics while also being computationally efficient. Typically, only models for the small-scale fluxes of momentum, species, and enthalpy are used to reintroduce in the simulation the physics lost because the computation only resolves the large scales. These models are called subgrid (SGS) models because they operate at a scale smaller than the LES grid. In a previous study of thermodynamically supercritical fluid disintegration and mixing, additional small-scale terms, one in the momentum and one in the energy conservation equations, were identified as requiring modeling. These additional terms were due to the tight coupling between dynamics and real-gas thermodynamics. It was inferred that if these terms would not be modeled, the high density-gradient magnitude regions, experimentally identified as a characteristic feature of these flows, would not be accurately predicted without the additional term in the momentum equation; these high density-gradient magnitude regions were experimentally shown to redistribute turbulence in the flow. And it was also inferred that without the additional term in the energy equation, the heat flux magnitude could not be accurately predicted; the heat flux to the wall of combustion devices is a crucial quantity that determined necessary wall material properties. The present work involves situations where only the term in the momentum equation is important. Without this additional term in the momentum equation, neither the SGS-flux constant-coefficient Smagorinsky model nor the SGS-flux constant-coefficient Gradient model could reproduce in LES the pressure field or the high density-gradient magnitude regions; the SGS-flux constant- coefficient Scale-Similarity model was the most successful in this endeavor although not totally satisfactory. With a model for the additional term in the momentum equation, the predictions of the constant-coefficient Smagorinsky and constant-coefficient Scale-Similarity models were improved to a certain extent; however, most of the improvement was obtained for the Gradient model. The previously derived model and a newly developed model for the additional term in the momentum equation were both tested, with the new model proving even more successful than the previous model at reproducing the high density-gradient magnitude regions. Several dynamic SGS-flux models, in which the SGS-flux model coefficient is computed as part of the simulation, were tested in conjunction with the new model for this additional term in the momentum equation. The most successful dynamic model was a "mixed" model combining the Smagorinsky and Gradient models. This work is directly applicable to simulations of gas turbine engines (aeronautics) and rocket engines (astronautics).

High performance computing applications in neurobiological research

NASA Technical Reports Server (NTRS)

Ross, Muriel D.; Cheng, Rei; Doshay, David G.; Linton, Samuel W.; Montgomery, Kevin; Parnas, Bruce R.

1994-01-01

The human nervous system is a massively parallel processor of information. The vast numbers of neurons, synapses and circuits is daunting to those seeking to understand the neural basis of consciousness and intellect. Pervading obstacles are lack of knowledge of the detailed, three-dimensional (3-D) organization of even a simple neural system and the paucity of large scale, biologically relevant computer simulations. We use high performance graphics workstations and supercomputers to study the 3-D organization of gravity sensors as a prototype architecture foreshadowing more complex systems. Scaled-down simulations run on a Silicon Graphics workstation and scale-up, three-dimensional versions run on the Cray Y-MP and CM5 supercomputers.

Large-scale automated histology in the pursuit of connectomes.

PubMed

Kleinfeld, David; Bharioke, Arjun; Blinder, Pablo; Bock, Davi D; Briggman, Kevin L; Chklovskii, Dmitri B; Denk, Winfried; Helmstaedter, Moritz; Kaufhold, John P; Lee, Wei-Chung Allen; Meyer, Hanno S; Micheva, Kristina D; Oberlaender, Marcel; Prohaska, Steffen; Reid, R Clay; Smith, Stephen J; Takemura, Shinya; Tsai, Philbert S; Sakmann, Bert

2011-11-09

How does the brain compute? Answering this question necessitates neuronal connectomes, annotated graphs of all synaptic connections within defined brain areas. Further, understanding the energetics of the brain's computations requires vascular graphs. The assembly of a connectome requires sensitive hardware tools to measure neuronal and neurovascular features in all three dimensions, as well as software and machine learning for data analysis and visualization. We present the state of the art on the reconstruction of circuits and vasculature that link brain anatomy and function. Analysis at the scale of tens of nanometers yields connections between identified neurons, while analysis at the micrometer scale yields probabilistic rules of connection between neurons and exact vascular connectivity.

Large-Scale Automated Histology in the Pursuit of Connectomes

PubMed Central

Bharioke, Arjun; Blinder, Pablo; Bock, Davi D.; Briggman, Kevin L.; Chklovskii, Dmitri B.; Denk, Winfried; Helmstaedter, Moritz; Kaufhold, John P.; Lee, Wei-Chung Allen; Meyer, Hanno S.; Micheva, Kristina D.; Oberlaender, Marcel; Prohaska, Steffen; Reid, R. Clay; Smith, Stephen J.; Takemura, Shinya; Tsai, Philbert S.; Sakmann, Bert

2011-01-01

How does the brain compute? Answering this question necessitates neuronal connectomes, annotated graphs of all synaptic connections within defined brain areas. Further, understanding the energetics of the brain's computations requires vascular graphs. The assembly of a connectome requires sensitive hardware tools to measure neuronal and neurovascular features in all three dimensions, as well as software and machine learning for data analysis and visualization. We present the state of the art on the reconstruction of circuits and vasculature that link brain anatomy and function. Analysis at the scale of tens of nanometers yields connections between identified neurons, while analysis at the micrometer scale yields probabilistic rules of connection between neurons and exact vascular connectivity. PMID:22072665

McrEngine: A Scalable Checkpointing System Using Data-Aware Aggregation and Compression

DOE PAGES

Islam, Tanzima Zerin; Mohror, Kathryn; Bagchi, Saurabh; ...

2013-01-01

High performance computing (HPC) systems use checkpoint-restart to tolerate failures. Typically, applications store their states in checkpoints on a parallel file system (PFS). As applications scale up, checkpoint-restart incurs high overheads due to contention for PFS resources. The high overheads force large-scale applications to reduce checkpoint frequency, which means more compute time is lost in the event of failure. We alleviate this problem through a scalable checkpoint-restart system, mcrEngine. McrEngine aggregates checkpoints from multiple application processes with knowledge of the data semantics available through widely-used I/O libraries, e.g., HDF5 and netCDF, and compresses them. Our novel scheme improves compressibility ofmore » checkpoints up to 115% over simple concatenation and compression. Our evaluation with large-scale application checkpoints show that mcrEngine reduces checkpointing overhead by up to 87% and restart overhead by up to 62% over a baseline with no aggregation or compression.« less

Quantum information processing with long-wavelength radiation

NASA Astrophysics Data System (ADS)

Murgia, David; Weidt, Sebastian; Randall, Joseph; Lekitsch, Bjoern; Webster, Simon; Navickas, Tomas; Grounds, Anton; Rodriguez, Andrea; Webb, Anna; Standing, Eamon; Pearce, Stuart; Sari, Ibrahim; Kiang, Kian; Rattanasonti, Hwanjit; Kraft, Michael; Hensinger, Winfried

To this point, the entanglement of ions has predominantly been performed using lasers. Using long wavelength radiation with static magnetic field gradients provides an architecture to simplify construction of a large scale quantum computer. The use of microwave-dressed states protects against decoherence from fluctuating magnetic fields, with radio-frequency fields used for qubit manipulation. I will report the realisation of spin-motion entanglement using long-wavelength radiation, and a new method to efficiently prepare dressed-state qubits and qutrits, reducing experimental complexity of gate operations. I will also report demonstration of ground state cooling using long wavelength radiation, which may increase two-qubit entanglement fidelity. I will then report demonstration of a high-fidelity long-wavelength two-ion quantum gate using dressed states. Combining these results with microfabricated ion traps allows for scaling towards a large scale ion trap quantum computer, and provides a platform for quantum simulations of fundamental physics. I will report progress towards the operation of microchip ion traps with extremely high magnetic field gradients for multi-ion quantum gates.

Efficient preconditioning of the electronic structure problem in large scale ab initio molecular dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schiffmann, Florian; VandeVondele, Joost, E-mail: Joost.VandeVondele@mat.ethz.ch

2015-06-28

We present an improved preconditioning scheme for electronic structure calculations based on the orbital transformation method. First, a preconditioner is developed which includes information from the full Kohn-Sham matrix but avoids computationally demanding diagonalisation steps in its construction. This reduces the computational cost of its construction, eliminating a bottleneck in large scale simulations, while maintaining rapid convergence. In addition, a modified form of Hotelling’s iterative inversion is introduced to replace the exact inversion of the preconditioner matrix. This method is highly effective during molecular dynamics (MD), as the solution obtained in earlier MD steps is a suitable initial guess. Filteringmore » small elements during sparse matrix multiplication leads to linear scaling inversion, while retaining robustness, already for relatively small systems. For system sizes ranging from a few hundred to a few thousand atoms, which are typical for many practical applications, the improvements to the algorithm lead to a 2-5 fold speedup per MD step.« less

A comparative analysis of rawinsonde and NIMBUS 6 and TIROS N satellite profile data

NASA Technical Reports Server (NTRS)

Scoggins, J. R.; Carle, W. E.; Knight, K.; Moyer, V.; Cheng, N. M.

1981-01-01

Comparisons are made between rawinsonde and satellite profiles in seven areas for a wide range of surface and weather conditions. Variables considered include temperature, dewpoint temperature, thickness, precipitable water, lapse rate of temperature, stability, geopotential height, mixing ratio, wind direction, wind speed, and kinematic parameters, including vorticity and the advection of vorticity and temperature. In addition, comparisons are made in the form of cross sections and synoptic fields for selected variables. Sounding data from the NIMBUS 6 and TIROS N satellites were used. Geostrophic wind computed from smoothed geopotential heights provided large scale flow patterns that agreed well with the rawinsonde wind fields. Surface wind patterns as well as magnitudes computed by use of the log law to extrapolate wind to a height of 10 m agreed with observations. Results of this study demonstrate rather conclusively that satellite profile data can be used to determine characteristics of large scale systems but that small scale features, such as frontal zones, cannot yet be resolved.

A Composite Network Approach for Assessing Multi-Species Connectivity: An Application to Road Defragmentation Prioritisation

PubMed Central

Saura, Santiago; Rondinini, Carlo

2016-01-01

One of the biggest challenges in large-scale conservation is quantifying connectivity at broad geographic scales and for a large set of species. Because connectivity analyses can be computationally intensive, and the planning process quite complex when multiple taxa are involved, assessing connectivity at large spatial extents for many species turns to be often intractable. Such limitation results in that conducted assessments are often partial by focusing on a few key species only, or are generic by considering a range of dispersal distances and a fixed set of areas to connect that are not directly linked to the actual spatial distribution or mobility of particular species. By using a graph theory framework, here we propose an approach to reduce computational effort and effectively consider large assemblages of species in obtaining multi-species connectivity priorities. We demonstrate the potential of the approach by identifying defragmentation priorities in the Italian road network focusing on medium and large terrestrial mammals. We show that by combining probabilistic species graphs prior to conducting the network analysis (i) it is possible to analyse connectivity once for all species simultaneously, obtaining conservation or restoration priorities that apply for the entire species assemblage; and that (ii) those priorities are well aligned with the ones that would be obtained by aggregating the results of separate connectivity analysis for each of the individual species. This approach offers great opportunities to extend connectivity assessments to large assemblages of species and broad geographic scales. PMID:27768718

Comprehensive Materials and Morphologies Study of Ion Traps (COMMIT) for Scalable Quantum Computation

DTIC Science & Technology

2012-04-21

the photoelectric effect. The typical shortest wavelengths needed for ion traps range from 194 nm for Hg+ to 493 nm for Ba +, corresponding to 6.4-2.5...REPORT Comprehensive Materials and Morphologies Study of Ion Traps (COMMIT) for scalable Quantum Computation - Final Report 14. ABSTRACT 16. SECURITY...CLASSIFICATION OF: Trapped ion systems, are extremely promising for large-scale quantum computation, but face a vexing problem, with motional quantum