49 CFR 1242.46 - Computers and data processing equipment (account XX-27-46).

Code of Federal Regulations, 2011 CFR

2011-10-01

... REPORTS SEPARATION OF COMMON OPERATING EXPENSES BETWEEN FREIGHT SERVICE AND PASSENGER SERVICE FOR RAILROADS 1 Operating Expenses-Equipment § 1242.46 Computers and data processing equipment (account XX-27-46... 49 Transportation 9 2011-10-01 2011-10-01 false Computers and data processing equipment (account...

49 CFR 1242.46 - Computers and data processing equipment (account XX-27-46).

Code of Federal Regulations, 2014 CFR

2014-10-01

... REPORTS SEPARATION OF COMMON OPERATING EXPENSES BETWEEN FREIGHT SERVICE AND PASSENGER SERVICE FOR RAILROADS 1 Operating Expenses-Equipment § 1242.46 Computers and data processing equipment (account XX-27-46... 49 Transportation 9 2014-10-01 2014-10-01 false Computers and data processing equipment (account...

49 CFR 1242.46 - Computers and data processing equipment (account XX-27-46).

Code of Federal Regulations, 2010 CFR

2010-10-01

... REPORTS SEPARATION OF COMMON OPERATING EXPENSES BETWEEN FREIGHT SERVICE AND PASSENGER SERVICE FOR RAILROADS 1 Operating Expenses-Equipment § 1242.46 Computers and data processing equipment (account XX-27-46... 49 Transportation 9 2010-10-01 2010-10-01 false Computers and data processing equipment (account...

Sensitivity of chemistry-transport model simulations to the duration of chemical and transport operators: a case study with GEOS-Chem v10-01

NASA Astrophysics Data System (ADS)

Philip, Sajeev; Martin, Randall V.; Keller, Christoph A.

2016-05-01

Chemistry-transport models involve considerable computational expense. Fine temporal resolution offers accuracy at the expense of computation time. Assessment is needed of the sensitivity of simulation accuracy to the duration of chemical and transport operators. We conduct a series of simulations with the GEOS-Chem chemistry-transport model at different temporal and spatial resolutions to examine the sensitivity of simulated atmospheric composition to operator duration. Subsequently, we compare the species simulated with operator durations from 10 to 60 min as typically used by global chemistry-transport models, and identify the operator durations that optimize both computational expense and simulation accuracy. We find that longer continuous transport operator duration increases concentrations of emitted species such as nitrogen oxides and carbon monoxide since a more homogeneous distribution reduces loss through chemical reactions and dry deposition. The increased concentrations of ozone precursors increase ozone production with longer transport operator duration. Longer chemical operator duration decreases sulfate and ammonium but increases nitrate due to feedbacks with in-cloud sulfur dioxide oxidation and aerosol thermodynamics. The simulation duration decreases by up to a factor of 5 from fine (5 min) to coarse (60 min) operator duration. We assess the change in simulation accuracy with resolution by comparing the root mean square difference in ground-level concentrations of nitrogen oxides, secondary inorganic aerosols, ozone and carbon monoxide with a finer temporal or spatial resolution taken as "truth". Relative simulation error for these species increases by more than a factor of 5 from the shortest (5 min) to longest (60 min) operator duration. Chemical operator duration twice that of the transport operator duration offers more simulation accuracy per unit computation. However, the relative simulation error from coarser spatial resolution generally exceeds that from longer operator duration; e.g., degrading from 2° × 2.5° to 4° × 5° increases error by an order of magnitude. We recommend prioritizing fine spatial resolution before considering different operator durations in offline chemistry-transport models. We encourage chemistry-transport model users to specify in publications the durations of operators due to their effects on simulation accuracy.

Sensitivity of chemical transport model simulations to the duration of chemical and transport operators: a case study with GEOS-Chem v10-01

NASA Astrophysics Data System (ADS)

Philip, S.; Martin, R. V.; Keller, C. A.

2015-11-01

Chemical transport models involve considerable computational expense. Fine temporal resolution offers accuracy at the expense of computation time. Assessment is needed of the sensitivity of simulation accuracy to the duration of chemical and transport operators. We conduct a series of simulations with the GEOS-Chem chemical transport model at different temporal and spatial resolutions to examine the sensitivity of simulated atmospheric composition to temporal resolution. Subsequently, we compare the tracers simulated with operator durations from 10 to 60 min as typically used by global chemical transport models, and identify the timesteps that optimize both computational expense and simulation accuracy. We found that longer transport timesteps increase concentrations of emitted species such as nitrogen oxides and carbon monoxide since a more homogeneous distribution reduces loss through chemical reactions and dry deposition. The increased concentrations of ozone precursors increase ozone production at longer transport timesteps. Longer chemical timesteps decrease sulfate and ammonium but increase nitrate due to feedbacks with in-cloud sulfur dioxide oxidation and aerosol thermodynamics. The simulation duration decreases by an order of magnitude from fine (5 min) to coarse (60 min) temporal resolution. We assess the change in simulation accuracy with resolution by comparing the root mean square difference in ground-level concentrations of nitrogen oxides, ozone, carbon monoxide and secondary inorganic aerosols with a finer temporal or spatial resolution taken as truth. Simulation error for these species increases by more than a factor of 5 from the shortest (5 min) to longest (60 min) temporal resolution. Chemical timesteps twice that of the transport timestep offer more simulation accuracy per unit computation. However, simulation error from coarser spatial resolution generally exceeds that from longer timesteps; e.g. degrading from 2° × 2.5° to 4° × 5° increases error by an order of magnitude. We recommend prioritizing fine spatial resolution before considering different temporal resolutions in offline chemical transport models. We encourage the chemical transport model users to specify in publications the durations of operators due to their effects on simulation accuracy.

Sensitivity Analysis for Coupled Aero-structural Systems

NASA Technical Reports Server (NTRS)

Giunta, Anthony A.

1999-01-01

A novel method has been developed for calculating gradients of aerodynamic force and moment coefficients for an aeroelastic aircraft model. This method uses the Global Sensitivity Equations (GSE) to account for the aero-structural coupling, and a reduced-order modal analysis approach to condense the coupling bandwidth between the aerodynamic and structural models. Parallel computing is applied to reduce the computational expense of the numerous high fidelity aerodynamic analyses needed for the coupled aero-structural system. Good agreement is obtained between aerodynamic force and moment gradients computed with the GSE/modal analysis approach and the same quantities computed using brute-force, computationally expensive, finite difference approximations. A comparison between the computational expense of the GSE/modal analysis method and a pure finite difference approach is presented. These results show that the GSE/modal analysis approach is the more computationally efficient technique if sensitivity analysis is to be performed for two or more aircraft design parameters.

47 CFR 69.156 - Marketing expenses.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 47 Telecommunication 3 2014-10-01 2014-10-01 false Marketing expenses. 69.156 Section 69.156... Computation of Charges for Price Cap Local Exchange Carriers § 69.156 Marketing expenses. Effective July 1, 2000, the marketing expenses formerly allocated to the common line and traffic sensitive baskets, and...

47 CFR 69.156 - Marketing expenses.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 47 Telecommunication 3 2012-10-01 2012-10-01 false Marketing expenses. 69.156 Section 69.156... Computation of Charges for Price Cap Local Exchange Carriers § 69.156 Marketing expenses. Effective July 1, 2000, the marketing expenses formerly allocated to the common line and traffic sensitive baskets, and...

47 CFR 69.156 - Marketing expenses.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 47 Telecommunication 3 2011-10-01 2011-10-01 false Marketing expenses. 69.156 Section 69.156... Computation of Charges for Price Cap Local Exchange Carriers § 69.156 Marketing expenses. Effective July 1, 2000, the marketing expenses formerly allocated to the common line and traffic sensitive baskets, and...

47 CFR 69.156 - Marketing expenses.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 3 2010-10-01 2010-10-01 false Marketing expenses. 69.156 Section 69.156... Computation of Charges for Price Cap Local Exchange Carriers § 69.156 Marketing expenses. Effective July 1, 2000, the marketing expenses formerly allocated to the common line and traffic sensitive baskets, and...

47 CFR 69.156 - Marketing expenses.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 47 Telecommunication 3 2013-10-01 2013-10-01 false Marketing expenses. 69.156 Section 69.156... Computation of Charges for Price Cap Local Exchange Carriers § 69.156 Marketing expenses. Effective July 1, 2000, the marketing expenses formerly allocated to the common line and traffic sensitive baskets, and...

A simple parameterization of aerosol emissions in RAMS

NASA Astrophysics Data System (ADS)

Letcher, Theodore

Throughout the past decade, a high degree of attention has been focused on determining the microphysical impact of anthropogenically enhanced concentrations of Cloud Condensation Nuclei (CCN) on orographic snowfall in the mountains of the western United States. This area has garnered a lot of attention due to the implications this effect may have on local water resource distribution within the Region. Recent advances in computing power and the development of highly advanced microphysical schemes within numerical models have provided an estimation of the sensitivity that orographic snowfall has to changes in atmospheric CCN concentrations. However, what is still lacking is a coupling between these advanced microphysical schemes and a real-world representation of CCN sources. Previously, an attempt to representation the heterogeneous evolution of aerosol was made by coupling three-dimensional aerosol output from the WRF Chemistry model to the Colorado State University (CSU) Regional Atmospheric Modeling System (RAMS) (Ward et al. 2011). The biggest problem associated with this scheme was the computational expense. In fact, the computational expense associated with this scheme was so high, that it was prohibitive for simulations with fine enough resolution to accurately represent microphysical processes. To improve upon this method, a new parameterization for aerosol emission was developed in such a way that it was fully contained within RAMS. Several assumptions went into generating a computationally efficient aerosol emissions parameterization in RAMS. The most notable assumption was the decision to neglect the chemical processes in formed in the formation of Secondary Aerosol (SA), and instead treat SA as primary aerosol via short-term WRF-CHEM simulations. While, SA makes up a substantial portion of the total aerosol burden (much of which is made up of organic material), the representation of this process is highly complex and highly expensive within a numerical model. Furthermore, SA formation is greatly reduced during the winter months due to the lack of naturally produced organic VOC's. Because of these reasons, it was felt that neglecting SOA within the model was the best course of action. The actual parameterization uses a prescribed source map to add aerosol to the model at two vertical levels that surround an arbitrary height decided by the user. To best represent the real-world, the WRF Chemistry model was run using the National Emissions Inventory (NEI2005) to represent anthropogenic emissions and the Model Emissions of Gases and Aerosols from Nature (MEGAN) to represent natural contributions to aerosol. WRF Chemistry was run for one hour, after which the aerosol output along with the hygroscopicity parameter (κ) were saved into a data file that had the capacity to be interpolated to an arbitrary grid used in RAMS. The comparison of this parameterization to observations collected at Mesa Verde National Park (MVNP) during the Inhibition of Snowfall from Pollution Aerosol (ISPA-III) field campaign yielded promising results. The model was able to simulate the variability in near surface aerosol concentration with reasonable accuracy, though with a general low bias. Furthermore, this model compared much better to the observations than did the WRF Chemistry model using a fraction of the computational expense. This emissions scheme was able to show reasonable solutions regarding the aerosol concentrations and can therefore be used to provide an estimate of the seasonal impact of increased CCN on water resources in Western Colorado with relatively low computational expense.

A preprocessing strategy for helioseismic inversions

NASA Astrophysics Data System (ADS)

Christensen-Dalsgaard, J.; Thompson, M. J.

1993-05-01

Helioseismic inversion in general involves considerable computational expense, due to the large number of modes that is typically considered. This is true in particular of the widely used optimally localized averages (OLA) inversion methods, which require the inversion of one or more matrices whose order is the number of modes in the set. However, the number of practically independent pieces of information that a large helioseismic mode set contains is very much less than the number of modes, suggesting that the set might first be reduced before the expensive inversion is performed. We demonstrate with a model problem that by first performing a singular value decomposition the original problem may be transformed into a much smaller one, reducing considerably the cost of the OLA inversion and with no significant loss of information.

48 CFR 227.7103-6 - Contract clauses.

Code of Federal Regulations, 2013 CFR

2013-10-01

... private expense). Do not use the clause when the only deliverable items are computer software or computer software documentation (see 227.72), commercial items developed exclusively at private expense (see 227... the clause in architect-engineer and construction contracts. (b)(1) Use the clause at 252.227-7013...

48 CFR 227.7103-6 - Contract clauses.

Code of Federal Regulations, 2014 CFR

2014-10-01

... private expense). Do not use the clause when the only deliverable items are computer software or computer software documentation (see 227.72), commercial items developed exclusively at private expense (see 227... the clause in architect-engineer and construction contracts. (b)(1) Use the clause at 252.227-7013...

24 CFR 990.165 - Computation of project expense level (PEL).

Code of Federal Regulations, 2010 CFR

2010-04-01

... 24 Housing and Urban Development 4 2010-04-01 2010-04-01 false Computation of project expense level (PEL). 990.165 Section 990.165 Housing and Urban Development Regulations Relating to Housing and Urban Development (Continued) OFFICE OF ASSISTANT SECRETARY FOR PUBLIC AND INDIAN HOUSING, DEPARTMENT OF...

Integrated Reconfigurable Intelligent Systems (IRIS) for Complex Naval Systems

DTIC Science & Technology

2010-02-21

RKF45] and Adams Variable Step- Size Predictor - Corrector methods). While such algorithms naturally are usually used to numerically solve differential...verified by yet another function call. Due to their nature, such methods are referred to as predictor - corrector methods. While computationally expensive...CONTRACT NUMBER N00014-09- C -0394 5b. GRANT NUMBER N/A 5c. PROGRAM ELEMENT NUMBER N/A 6. Author(s) Dr. Dimitri N. Mavris Dr. Yongchang Li 5d

An energy-efficient failure detector for vehicular cloud computing.

PubMed

Liu, Jiaxi; Wu, Zhibo; Dong, Jian; Wu, Jin; Wen, Dongxin

2018-01-01

Failure detectors are one of the fundamental components for maintaining the high availability of vehicular cloud computing. In vehicular cloud computing, lots of RSUs are deployed along the road to improve the connectivity. Many of them are equipped with solar battery due to the unavailability or excess expense of wired electrical power. So it is important to reduce the battery consumption of RSU. However, the existing failure detection algorithms are not designed to save battery consumption RSU. To solve this problem, a new energy-efficient failure detector 2E-FD has been proposed specifically for vehicular cloud computing. 2E-FD does not only provide acceptable failure detection service, but also saves the battery consumption of RSU. Through the comparative experiments, the results show that our failure detector has better performance in terms of speed, accuracy and battery consumption.

An energy-efficient failure detector for vehicular cloud computing

PubMed Central

Liu, Jiaxi; Wu, Zhibo; Wu, Jin; Wen, Dongxin

2018-01-01

Failure detectors are one of the fundamental components for maintaining the high availability of vehicular cloud computing. In vehicular cloud computing, lots of RSUs are deployed along the road to improve the connectivity. Many of them are equipped with solar battery due to the unavailability or excess expense of wired electrical power. So it is important to reduce the battery consumption of RSU. However, the existing failure detection algorithms are not designed to save battery consumption RSU. To solve this problem, a new energy-efficient failure detector 2E-FD has been proposed specifically for vehicular cloud computing. 2E-FD does not only provide acceptable failure detection service, but also saves the battery consumption of RSU. Through the comparative experiments, the results show that our failure detector has better performance in terms of speed, accuracy and battery consumption. PMID:29352282

Nonlinear Dynamic Model-Based Multiobjective Sensor Network Design Algorithm for a Plant with an Estimator-Based Control System

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

Paul, Prokash; Bhattacharyya, Debangsu; Turton, Richard

Here, a novel sensor network design (SND) algorithm is developed for maximizing process efficiency while minimizing sensor network cost for a nonlinear dynamic process with an estimator-based control system. The multiobjective optimization problem is solved following a lexicographic approach where the process efficiency is maximized first followed by minimization of the sensor network cost. The partial net present value, which combines the capital cost due to the sensor network and the operating cost due to deviation from the optimal efficiency, is proposed as an alternative objective. The unscented Kalman filter is considered as the nonlinear estimator. The large-scale combinatorial optimizationmore » problem is solved using a genetic algorithm. The developed SND algorithm is applied to an acid gas removal (AGR) unit as part of an integrated gasification combined cycle (IGCC) power plant with CO 2 capture. Due to the computational expense, a reduced order nonlinear model of the AGR process is identified and parallel computation is performed during implementation.« less

Nonlinear Dynamic Model-Based Multiobjective Sensor Network Design Algorithm for a Plant with an Estimator-Based Control System

DOE PAGES

Paul, Prokash; Bhattacharyya, Debangsu; Turton, Richard; ...

2017-06-06

Here, a novel sensor network design (SND) algorithm is developed for maximizing process efficiency while minimizing sensor network cost for a nonlinear dynamic process with an estimator-based control system. The multiobjective optimization problem is solved following a lexicographic approach where the process efficiency is maximized first followed by minimization of the sensor network cost. The partial net present value, which combines the capital cost due to the sensor network and the operating cost due to deviation from the optimal efficiency, is proposed as an alternative objective. The unscented Kalman filter is considered as the nonlinear estimator. The large-scale combinatorial optimizationmore » problem is solved using a genetic algorithm. The developed SND algorithm is applied to an acid gas removal (AGR) unit as part of an integrated gasification combined cycle (IGCC) power plant with CO 2 capture. Due to the computational expense, a reduced order nonlinear model of the AGR process is identified and parallel computation is performed during implementation.« less

Gesture Therapy: A Vision-Based System for Arm Rehabilitation after Stroke

NASA Astrophysics Data System (ADS)

Sucar, L. Enrique; Azcárate, Gildardo; Leder, Ron S.; Reinkensmeyer, David; Hernández, Jorge; Sanchez, Israel; Saucedo, Pedro

Each year millions of people in the world survive a stroke, in the U.S. alone the figure is over 600,000 people per year. Movement impairments after stroke are typically treated with intensive, hands-on physical and occupational therapy for several weeks after the initial injury. However, due to economic pressures, stroke patients are receiving less therapy and going home sooner, so the potential benefit of the therapy is not completely realized. Thus, it is important to develop rehabilitation technology that allows individuals who had suffered a stroke to practice intensive movement training without the expense of an always-present therapist. Current solutions are too expensive, as they require a robotic system for rehabilitation. We have developed a low-cost, computer vision system that allows individuals with stroke to practice arm movement exercises at home or at the clinic, with periodic interactions with a therapist. The system integrates a web based virtual environment for facilitating repetitive movement training, with state-of-the art computer vision algorithms that track the hand of a patient and obtain its 3-D coordinates, using two inexpensive cameras and a conventional personal computer. An initial prototype of the system has been evaluated in a pilot clinical study with promising results.

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

Mueller, Juliane

MISO is an optimization framework for solving computationally expensive mixed-integer, black-box, global optimization problems. MISO uses surrogate models to approximate the computationally expensive objective function. Hence, derivative information, which is generally unavailable for black-box simulation objective functions, is not needed. MISO allows the user to choose the initial experimental design strategy, the type of surrogate model, and the sampling strategy.

48 CFR 9905.506-60 - Illustrations.

Code of Federal Regulations, 2013 CFR

2013-10-01

..., installs a computer service center to begin operations on May 1. The operating expense related to the new... operating expenses of the computer service center for the 8-month part of the cost accounting period may be... 48 Federal Acquisition Regulations System 7 2013-10-01 2012-10-01 true Illustrations. 9905.506-60...

26 CFR 1.50B-1 - Definitions of WIN expenses and WIN employees.

Code of Federal Regulations, 2010 CFR

2010-04-01

... employee. (c) Trade or business expenses. The term “WIN expenses” includes only salaries and wages which... 26 Internal Revenue 1 2010-04-01 2010-04-01 true Definitions of WIN expenses and WIN employees. 1... INCOME TAXES Rules for Computing Credit for Expenses of Work Incentive Programs § 1.50B-1 Definitions of...

Reduced order surrogate modelling (ROSM) of high dimensional deterministic simulations

NASA Astrophysics Data System (ADS)

Mitry, Mina

Often, computationally expensive engineering simulations can prohibit the engineering design process. As a result, designers may turn to a less computationally demanding approximate, or surrogate, model to facilitate their design process. However, owing to the the curse of dimensionality, classical surrogate models become too computationally expensive for high dimensional data. To address this limitation of classical methods, we develop linear and non-linear Reduced Order Surrogate Modelling (ROSM) techniques. Two algorithms are presented, which are based on a combination of linear/kernel principal component analysis and radial basis functions. These algorithms are applied to subsonic and transonic aerodynamic data, as well as a model for a chemical spill in a channel. The results of this thesis show that ROSM can provide a significant computational benefit over classical surrogate modelling, sometimes at the expense of a minor loss in accuracy.

47 CFR 32.6112 - Motor vehicle expense.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 2 2010-10-01 2010-10-01 false Motor vehicle expense. 32.6112 Section 32.6112 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES UNIFORM SYSTEM OF ACCOUNTS.../or to other Plant Specific Operations Expense accounts. These amounts shall be computed on the basis...

47 CFR 32.6121 - Land and building expense.

Code of Federal Regulations, 2013 CFR

2013-10-01

... operate the telecommunications network shall be charged to Account 6531, Power Expense, and the cost of separately metered electricity used for operating specific types of equipment, such as computers, shall be... SYSTEM OF ACCOUNTS FOR TELECOMMUNICATIONS COMPANIES Instructions for Expense Accounts § 32.6121 Land and...

47 CFR 32.6121 - Land and building expense.

Code of Federal Regulations, 2012 CFR

2012-10-01

... operate the telecommunications network shall be charged to Account 6531, Power Expense, and the cost of separately metered electricity used for operating specific types of equipment, such as computers, shall be... SYSTEM OF ACCOUNTS FOR TELECOMMUNICATIONS COMPANIES Instructions for Expense Accounts § 32.6121 Land and...

47 CFR 32.6121 - Land and building expense.

Code of Federal Regulations, 2011 CFR

2011-10-01

... operate the telecommunications network shall be charged to Account 6531, Power Expense, and the cost of separately metered electricity used for operating specific types of equipment, such as computers, shall be... SYSTEM OF ACCOUNTS FOR TELECOMMUNICATIONS COMPANIES Instructions for Expense Accounts § 32.6121 Land and...

47 CFR 32.6121 - Land and building expense.

Code of Federal Regulations, 2014 CFR

2014-10-01

... operate the telecommunications network shall be charged to Account 6531, Power Expense, and the cost of separately metered electricity used for operating specific types of equipment, such as computers, shall be... SYSTEM OF ACCOUNTS FOR TELECOMMUNICATIONS COMPANIES Instructions for Expense Accounts § 32.6121 Land and...

47 CFR 32.6121 - Land and building expense.

Code of Federal Regulations, 2010 CFR

2010-10-01

... operate the telecommunications network shall be charged to Account 6531, Power Expense, and the cost of separately metered electricity used for operating specific types of equipment, such as computers, shall be... SYSTEM OF ACCOUNTS FOR TELECOMMUNICATIONS COMPANIES Instructions for Expense Accounts § 32.6121 Land and...

A Computationally Efficient Parallel Levenberg-Marquardt Algorithm for Large-Scale Big-Data Inversion

NASA Astrophysics Data System (ADS)

Lin, Y.; O'Malley, D.; Vesselinov, V. V.

2015-12-01

Inverse modeling seeks model parameters given a set of observed state variables. However, for many practical problems due to the facts that the observed data sets are often large and model parameters are often numerous, conventional methods for solving the inverse modeling can be computationally expensive. We have developed a new, computationally-efficient Levenberg-Marquardt method for solving large-scale inverse modeling. Levenberg-Marquardt methods require the solution of a dense linear system of equations which can be prohibitively expensive to compute for large-scale inverse problems. Our novel method projects the original large-scale linear problem down to a Krylov subspace, such that the dimensionality of the measurements can be significantly reduced. Furthermore, instead of solving the linear system for every Levenberg-Marquardt damping parameter, we store the Krylov subspace computed when solving the first damping parameter and recycle it for all the following damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved by using these computational techniques. We apply this new inverse modeling method to invert for a random transitivity field. Our algorithm is fast enough to solve for the distributed model parameters (transitivity) at each computational node in the model domain. The inversion is also aided by the use regularization techniques. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). Julia is an advanced high-level scientific programing language that allows for efficient memory management and utilization of high-performance computational resources. By comparing with a Levenberg-Marquardt method using standard linear inversion techniques, our Levenberg-Marquardt method yields speed-up ratio of 15 in a multi-core computational environment and a speed-up ratio of 45 in a single-core computational environment. Therefore, our new inverse modeling method is a powerful tool for large-scale applications.

7 CFR 1484.53 - What are the requirements for documenting and reporting contributions?

Code of Federal Regulations, 2010 CFR

2010-01-01

... contribution must be documented by the Cooperator, showing the method of computing non-cash contributions, salaries, and travel expenses. (b) Each Cooperator must keep records of the methods used to compute the value of non-cash contributions, and (1) Copies of invoices or receipts for expenses paid by the U.S...

26 CFR 1.213-1 - Medical, dental, etc., expenses.

Code of Federal Regulations, 2010 CFR

2010-04-01

... medical care includes the diagnosis, cure, mitigation, treatment, or prevention of disease. Expenses paid... taxable year for insurance that constitute expenses paid for medical care shall, for purposes of computing... care of the taxpayer, his spouse, or a dependent of the taxpayer and not be compensated for by...

26 CFR 1.556-2 - Adjustments to taxable income.

Code of Federal Regulations, 2010 CFR

2010-04-01

... of deductions for trade or business expenses and depreciation which are allocable to the operation... computed without the deduction of the amount disallowed under section 556(b)(5), relating to expenses and... disallowed under section 556(b)(5), relating to expenses and depreciation applicable to property of the...

Reactive transport modeling in the subsurface environment with OGS-IPhreeqc

NASA Astrophysics Data System (ADS)

He, Wenkui; Beyer, Christof; Fleckenstein, Jan; Jang, Eunseon; Kalbacher, Thomas; Naumov, Dimitri; Shao, Haibing; Wang, Wenqing; Kolditz, Olaf

2015-04-01

Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over multiple compute nodes. The plausibility of the new coupling is verified by several benchmark tests. In addition, the efficiency of the new coupling approach is demonstrated by its application in a large scale scenario, in which the environmental fate of pesticides in a complex soil-aquifer system is studied.

Reactive transport modeling in variably saturated porous media with OGS-IPhreeqc

NASA Astrophysics Data System (ADS)

He, W.; Beyer, C.; Fleckenstein, J. H.; Jang, E.; Kalbacher, T.; Shao, H.; Wang, W.; Kolditz, O.

2014-12-01

Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over multiple compute nodes. The plausibility of the new coupling is verified by several benchmark tests. In addition, the efficiency of the new coupling approach is demonstrated by its application in a large scale scenario, in which the environmental fate of pesticides in a complex soil-aquifer system is studied.

Fast and Reliable Thermodynamic Approach for Determining the Protonation State of the Asp Dyad.

PubMed

Huang, Jinfeng; Sun, Bin; Yao, Yuan; Liu, Junjun

2017-09-25

The protonation state of the asp dyad is significantly important in revealing enzymatic mechanisms and developing drugs. However, it is hard to determine by calculating free energy changes between possible protonation states, because the free energy changes due to protein conformational flexibility are usually much larger than those originating from different locations of protons. Sophisticated and computationally expensive methods such as free energy perturbation, thermodynamic integration (TI), and quantum mechanics/molecular mechanics are therefore usually used for this purpose. In the present study, we have developed a simple thermodynamic approach to effectively eliminating the free energy changes arising from protein conformational flexibility and estimating the free energy changes only originated from the locations of protons, which provides a fast and reliable method for determining the protonation state of asp dyads. The test of this approach on a total of 15 asp dyad systems, including BACE-1 and HIV-1 protease, shows that the predictions from this approach are all consistent with experiments or with the computationally expensive TI calculations. It is clear that our thermodynamic approach could be used to rapidly and reliably determine the protonation state of the asp dyad.

Stereo Correspondence Using Moment Invariants

NASA Astrophysics Data System (ADS)

Premaratne, Prashan; Safaei, Farzad

Autonomous navigation is seen as a vital tool in harnessing the enormous potential of Unmanned Aerial Vehicles (UAV) and small robotic vehicles for both military and civilian use. Even though, laser based scanning solutions for Simultaneous Location And Mapping (SLAM) is considered as the most reliable for depth estimation, they are not feasible for use in UAV and land-based small vehicles due to their physical size and weight. Stereovision is considered as the best approach for any autonomous navigation solution as stereo rigs are considered to be lightweight and inexpensive. However, stereoscopy which estimates the depth information through pairs of stereo images can still be computationally expensive and unreliable. This is mainly due to some of the algorithms used in successful stereovision solutions require high computational requirements that cannot be met by small robotic vehicles. In our research, we implement a feature-based stereovision solution using moment invariants as a metric to find corresponding regions in image pairs that will reduce the computational complexity and improve the accuracy of the disparity measures that will be significant for the use in UAVs and in small robotic vehicles.

A survey of GPU-based medical image computing techniques

PubMed Central

Shi, Lin; Liu, Wen; Zhang, Heye; Xie, Yongming

2012-01-01

Medical imaging currently plays a crucial role throughout the entire clinical applications from medical scientific research to diagnostics and treatment planning. However, medical imaging procedures are often computationally demanding due to the large three-dimensional (3D) medical datasets to process in practical clinical applications. With the rapidly enhancing performances of graphics processors, improved programming support, and excellent price-to-performance ratio, the graphics processing unit (GPU) has emerged as a competitive parallel computing platform for computationally expensive and demanding tasks in a wide range of medical image applications. The major purpose of this survey is to provide a comprehensive reference source for the starters or researchers involved in GPU-based medical image processing. Within this survey, the continuous advancement of GPU computing is reviewed and the existing traditional applications in three areas of medical image processing, namely, segmentation, registration and visualization, are surveyed. The potential advantages and associated challenges of current GPU-based medical imaging are also discussed to inspire future applications in medicine. PMID:23256080

Effect of solutes on the lattice parameters and elastic stiffness coefficients of body-centered tetragonal Fe

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

Fellinger, Michael R.; Hector, Jr., Louis G.; Trinkle, Dallas R.

In this study, we compute changes in the lattice parameters and elastic stiffness coefficients C ij of body-centered tetragonal (bct) Fe due to Al, B, C, Cu, Mn, Si, and N solutes. Solute strain misfit tensors determine changes in the lattice parameters as well as strain contributions to the changes in the C ij. We also compute chemical contributions to the changes in the C ij, and show that the sum of the strain and chemical contributions agree with more computationally expensive direct calculations that simultaneously incorporate both contributions. Octahedral interstitial solutes, with C being the most important addition inmore » steels, must be present to stabilize the bct phase over the body-centered cubic phase. We therefore compute the effects of interactions between interstitial C solutes and substitutional solutes on the bct lattice parameters and C ij for all possible solute configurations in the dilute limit, and thermally average the results to obtain effective changes in properties due to each solute. Finally, the computed data can be used to estimate solute-induced changes in mechanical properties such as strength and ductility, and can be directly incorporated into mesoscale simulations of multiphase steels to model solute effects on the bct martensite phase.« less

GPGPU-based explicit finite element computations for applications in biomechanics: the performance of material models, element technologies, and hardware generations.

PubMed

Strbac, V; Pierce, D M; Vander Sloten, J; Famaey, N

2017-12-01

Finite element (FE) simulations are increasingly valuable in assessing and improving the performance of biomedical devices and procedures. Due to high computational demands such simulations may become difficult or even infeasible, especially when considering nearly incompressible and anisotropic material models prevalent in analyses of soft tissues. Implementations of GPGPU-based explicit FEs predominantly cover isotropic materials, e.g. the neo-Hookean model. To elucidate the computational expense of anisotropic materials, we implement the Gasser-Ogden-Holzapfel dispersed, fiber-reinforced model and compare solution times against the neo-Hookean model. Implementations of GPGPU-based explicit FEs conventionally rely on single-point (under) integration. To elucidate the expense of full and selective-reduced integration (more reliable) we implement both and compare corresponding solution times against those generated using underintegration. To better understand the advancement of hardware, we compare results generated using representative Nvidia GPGPUs from three recent generations: Fermi (C2075), Kepler (K20c), and Maxwell (GTX980). We explore scaling by solving the same boundary value problem (an extension-inflation test on a segment of human aorta) with progressively larger FE meshes. Our results demonstrate substantial improvements in simulation speeds relative to two benchmark FE codes (up to 300[Formula: see text] while maintaining accuracy), and thus open many avenues to novel applications in biomechanics and medicine.

75 FR 1269 - Dried Prunes Produced in California; Decreased Assessment Rate

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-11

... rate was possible due to significant decreases in operating expenses and contingencies, and a... and for contingencies. Most of the Committee's expenses reflect its portion of the joint..., $11,780 for operating expenses, and $15,908 for contingencies. In comparison, budgeted expenses for...

Converting laserdisc video to digital video: a demonstration project using brain animations.

PubMed

Jao, C S; Hier, D B; Brint, S U

1995-01-01

Interactive laserdiscs are of limited value in large group learning situations due to the expense of establishing multiple workstations. The authors implemented an alternative to laserdisc video by using indexed digital video combined with an expert system. High-quality video was captured from a laserdisc player and combined with waveform audio into an audio-video-interleave (AVI) file format in the Microsoft Video-for-Windows environment (Microsoft Corp., Seattle, WA). With the use of an expert system, a knowledge-based computer program provided random access to these indexed AVI files. The program can be played on any multimedia computer without the need for laserdiscs. This system offers a high level of interactive video without the overhead and cost of a laserdisc player.

Solvers for the Cardiac Bidomain Equations

PubMed Central

Vigmond, E.J.; Weber dos Santos, R.; Prassl, A.J.; Deo, M.; Plank, G.

2010-01-01

The bidomain equations are widely used for the simulation of electrical activity in cardiac tissue. They are especially important for accurately modelling extracellular stimulation, as evidenced by their prediction of virtual electrode polarization before experimental verification. However, solution of the equations is computationally expensive due to the fine spatial and temporal discretization needed. This limits the size and duration of the problem which can be modeled. Regardless of the specific form into which they are cast, the computational bottleneck becomes the repeated solution of a large, linear system. The purpose of this review is to give an overview of the equations, and the methods by which they have been solved. Of particular note are recent developments in multigrid methods, which have proven to be the most efficient. PMID:17900668

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

I. W. Ginsberg

Multiresolutional decompositions known as spectral fingerprints are often used to extract spectral features from multispectral/hyperspectral data. In this study, the authors investigate the use of wavelet-based algorithms for generating spectral fingerprints. The wavelet-based algorithms are compared to the currently used method, traditional convolution with first-derivative Gaussian filters. The comparison analyses consists of two parts: (a) the computational expense of the new method is compared with the computational costs of the current method and (b) the outputs of the wavelet-based methods are compared with those of the current method to determine any practical differences in the resulting spectral fingerprints. The resultsmore » show that the wavelet-based algorithms can greatly reduce the computational expense of generating spectral fingerprints, while practically no differences exist in the resulting fingerprints. The analysis is conducted on a database of hyperspectral signatures, namely, Hyperspectral Digital Image Collection Experiment (HYDICE) signatures. The reduction in computational expense is by a factor of about 30, and the average Euclidean distance between resulting fingerprints is on the order of 0.02.« less

Metamodels for Computer-Based Engineering Design: Survey and Recommendations

NASA Technical Reports Server (NTRS)

Simpson, Timothy W.; Peplinski, Jesse; Koch, Patrick N.; Allen, Janet K.

1997-01-01

The use of statistical techniques to build approximations of expensive computer analysis codes pervades much of todays engineering design. These statistical approximations, or metamodels, are used to replace the actual expensive computer analyses, facilitating multidisciplinary, multiobjective optimization and concept exploration. In this paper we review several of these techniques including design of experiments, response surface methodology, Taguchi methods, neural networks, inductive learning, and kriging. We survey their existing application in engineering design and then address the dangers of applying traditional statistical techniques to approximate deterministic computer analysis codes. We conclude with recommendations for the appropriate use of statistical approximation techniques in given situations and how common pitfalls can be avoided.

Finite Element Simulation of Articular Contact Mechanics with Quadratic Tetrahedral Elements

PubMed Central

Maas, Steve A.; Ellis, Benjamin J.; Rawlins, David S.; Weiss, Jeffrey A.

2016-01-01

Although it is easier to generate finite element discretizations with tetrahedral elements, trilinear hexahedral (HEX8) elements are more often used in simulations of articular contact mechanics. This is due to numerical shortcomings of linear tetrahedral (TET4) elements, limited availability of quadratic tetrahedron elements in combination with effective contact algorithms, and the perceived increased computational expense of quadratic finite elements. In this study we implemented both ten-node (TET10) and fifteen-node (TET15) quadratic tetrahedral elements in FEBio (www.febio.org) and compared their accuracy, robustness in terms of convergence behavior and computational cost for simulations relevant to articular contact mechanics. Suitable volume integration and surface integration rules were determined by comparing the results of several benchmark contact problems. The results demonstrated that the surface integration rule used to evaluate the contact integrals for quadratic elements affected both convergence behavior and accuracy of predicted stresses. The computational expense and robustness of both quadratic tetrahedral formulations compared favorably to the HEX8 models. Of note, the TET15 element demonstrated superior convergence behavior and lower computational cost than both the TET10 and HEX8 elements for meshes with similar numbers of degrees of freedom in the contact problems that we examined. Finally, the excellent accuracy and relative efficiency of these quadratic tetrahedral elements was illustrated by comparing their predictions with those for a HEX8 mesh for simulation of articular contact in a fully validated model of the hip. These results demonstrate that TET10 and TET15 elements provide viable alternatives to HEX8 elements for simulation of articular contact mechanics. PMID:26900037

Parameterized reduced-order models using hyper-dual numbers.

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

Fike, Jeffrey A.; Brake, Matthew Robert

2013-10-01

The goal of most computational simulations is to accurately predict the behavior of a real, physical system. Accurate predictions often require very computationally expensive analyses and so reduced order models (ROMs) are commonly used. ROMs aim to reduce the computational cost of the simulations while still providing accurate results by including all of the salient physics of the real system in the ROM. However, real, physical systems often deviate from the idealized models used in simulations due to variations in manufacturing or other factors. One approach to this issue is to create a parameterized model in order to characterize themore » effect of perturbations from the nominal model on the behavior of the system. This report presents a methodology for developing parameterized ROMs, which is based on Craig-Bampton component mode synthesis and the use of hyper-dual numbers to calculate the derivatives necessary for the parameterization.« less

Using quantum chemistry muscle to flex massive systems: How to respond to something perturbing

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

Bertoni, Colleen

Computational chemistry uses the theoretical advances of quantum mechanics and the algorithmic and hardware advances of computer science to give insight into chemical problems. It is currently possible to do highly accurate quantum chemistry calculations, but the most accurate methods are very computationally expensive. Thus it is only feasible to do highly accurate calculations on small molecules, since typically more computationally efficient methods are also less accurate. The overall goal of my dissertation work has been to try to decrease the computational expense of calculations without decreasing the accuracy. In particular, my dissertation work focuses on fragmentation methods, intermolecular interactionsmore » methods, analytic gradients, and taking advantage of new hardware.« less

47 CFR 36.311 - Network Support/General Support Expenses-Accounts 6110 and 6120 (Class B Telephone Companies...

Code of Federal Regulations, 2014 CFR

2014-10-01

... (Class A Telephone Companies). 36.311 Section 36.311 Telecommunication FEDERAL COMMUNICATIONS COMMISSION..., office equipment, and general purpose computers. (b) The expenses in these account are apportioned among...

47 CFR 36.311 - Network Support/General Support Expenses-Accounts 6110 and 6120 (Class B Telephone Companies...

Code of Federal Regulations, 2013 CFR

2013-10-01

... (Class A Telephone Companies). 36.311 Section 36.311 Telecommunication FEDERAL COMMUNICATIONS COMMISSION..., office equipment, and general purpose computers. (b) The expenses in these account are apportioned among...

47 CFR 36.311 - Network Support/General Support Expenses-Accounts 6110 and 6120 (Class B Telephone Companies...

Code of Federal Regulations, 2012 CFR

2012-10-01

... (Class A Telephone Companies). 36.311 Section 36.311 Telecommunication FEDERAL COMMUNICATIONS COMMISSION..., office equipment, and general purpose computers. (b) The expenses in these account are apportioned among...

Extending the length and time scales of Gram-Schmidt Lyapunov vector computations

NASA Astrophysics Data System (ADS)

Costa, Anthony B.; Green, Jason R.

2013-08-01

Lyapunov vectors have found growing interest recently due to their ability to characterize systems out of thermodynamic equilibrium. The computation of orthogonal Gram-Schmidt vectors requires multiplication and QR decomposition of large matrices, which grow as N2 (with the particle count). This expense has limited such calculations to relatively small systems and short time scales. Here, we detail two implementations of an algorithm for computing Gram-Schmidt vectors. The first is a distributed-memory message-passing method using Scalapack. The second uses the newly-released MAGMA library for GPUs. We compare the performance of both codes for Lennard-Jones fluids from N=100 to 1300 between Intel Nahalem/Infiniband DDR and NVIDIA C2050 architectures. To our best knowledge, these are the largest systems for which the Gram-Schmidt Lyapunov vectors have been computed, and the first time their calculation has been GPU-accelerated. We conclude that Lyapunov vector calculations can be significantly extended in length and time by leveraging the power of GPU-accelerated linear algebra.

Cyclone Simulation via Action Minimization

NASA Astrophysics Data System (ADS)

Plotkin, D. A.; Weare, J.; Abbot, D. S.

2016-12-01

A postulated impact of climate change is an increase in intensity of tropical cyclones (TCs). This hypothesized effect results from the fact that TCs are powered subsaturated boundary layer air picking up water vapor from the surface ocean as it flows inwards towards the eye. This water vapor serves as the energy input for TCs, which can be idealized as heat engines. The inflowing air has a nearly identical temperature as the surface ocean; therefore, warming of the surface leads to a warmer atmospheric boundary layer. By the Clausius-Clapeyron relationship, warmer boundary layer air can hold more water vapor and thus results in more energetic storms. Changes in TC intensity are difficult to predict due to the presence of fine structures (e.g. convective structures and rainbands) with length scales of less than 1 km, while general circulation models (GCMs) generally have horizontal resolutions of tens of kilometers. The models are therefore unable to capture these features, which are critical to accurately simulating cyclone structure and intensity. Further, strong TCs are rare events, meaning that long multi-decadal simulations are necessary to generate meaningful statistics about intense TC activity. This adds to the computational expense, making it yet more difficult to generate accurate statistics about long-term changes in TC intensity due to global warming via direct simulation. We take an alternative approach, applying action minimization techniques developed in molecular dynamics to the WRF weather/climate model. We construct artificial model trajectories that lead from quiescent (TC-free) states to TC states, then minimize the deviation of these trajectories from true model dynamics. We can thus create Monte Carlo model ensembles that are biased towards cyclogenesis, which reduces computational expense by limiting time spent in non-TC states. This allows for: 1) selective interrogation of model states with TCs; 2) finding the likeliest paths for transitions between TC-free and TC states; and 3) an increase in horizontal resolution due to computational savings achieved by reducing time spent simulating TC-free states. This increase in resolution, coupled with a decrease in simulation time, allows for prediction of the change in TC frequency and intensity distributions resulting from climate change.

Manifold learning of brain MRIs by deep learning.

PubMed

Brosch, Tom; Tam, Roger

2013-01-01

Manifold learning of medical images plays a potentially important role for modeling anatomical variability within a population with pplications that include segmentation, registration, and prediction of clinical parameters. This paper describes a novel method for learning the manifold of 3D brain images that, unlike most existing manifold learning methods, does not require the manifold space to be locally linear, and does not require a predefined similarity measure or a prebuilt proximity graph. Our manifold learning method is based on deep learning, a machine learning approach that uses layered networks (called deep belief networks, or DBNs) and has received much attention recently in the computer vision field due to their success in object recognition tasks. DBNs have traditionally been too computationally expensive for application to 3D images due to the large number of trainable parameters. Our primary contributions are (1) a much more computationally efficient training method for DBNs that makes training on 3D medical images with a resolution of up to 128 x 128 x 128 practical, and (2) the demonstration that DBNs can learn a low-dimensional manifold of brain volumes that detects modes of variations that correlate to demographic and disease parameters.

Administering Minnesota's tax-forfeited land: some trends in revenues and expenses.

Treesearch

David C. Lothner; Edwin Kallio; David T. Davis

1978-01-01

Revenues received from managing Minnesota county land increased at a slower rate than the expenses incurred in their management over the 1960-74 period. However, due to a substantial land sale program, the revenues received exceeded the expenses incurred throughout the period.

76 FR 9349 - Jim Woodruff Project

Federal Register 2010, 2011, 2012, 2013, 2014

2011-02-17

... month. Southeastern would compute its purchased power obligation for each delivery point monthly... rates to include a pass-through of purchased power expenses. The capacity and energy charges to preference customers can be reduced because purchased power expenses will be recovered in a separate, pass...

SOP: parallel surrogate global optimization with Pareto center selection for computationally expensive single objective problems

DOE PAGES

Krityakierne, Tipaluck; Akhtar, Taimoor; Shoemaker, Christine A.

2016-02-02

This paper presents a parallel surrogate-based global optimization method for computationally expensive objective functions that is more effective for larger numbers of processors. To reach this goal, we integrated concepts from multi-objective optimization and tabu search into, single objective, surrogate optimization. Our proposed derivative-free algorithm, called SOP, uses non-dominated sorting of points for which the expensive function has been previously evaluated. The two objectives are the expensive function value of the point and the minimum distance of the point to previously evaluated points. Based on the results of non-dominated sorting, P points from the sorted fronts are selected as centersmore » from which many candidate points are generated by random perturbations. Based on surrogate approximation, the best candidate point is subsequently selected for expensive evaluation for each of the P centers, with simultaneous computation on P processors. Centers that previously did not generate good solutions are tabu with a given tenure. We show almost sure convergence of this algorithm under some conditions. The performance of SOP is compared with two RBF based methods. The test results show that SOP is an efficient method that can reduce time required to find a good near optimal solution. In a number of cases the efficiency of SOP is so good that SOP with 8 processors found an accurate answer in less wall-clock time than the other algorithms did with 32 processors.« less

Thermochemical Modeling of Nonequilibrium Oxygen Flows

NASA Astrophysics Data System (ADS)

Neitzel, Kevin Joseph

The development of hypersonic vehicles leans heavily on computational simulation due to the high enthalpy flow conditions that are expensive and technically challenging to replicate experimentally. The accuracy of the nonequilibrium modeling in the computer simulations dictates the design margin that is required for the thermal protection system and flight dynamics. Previous hypersonic vehicles, such as Apollo and the Space Shuttle, were primarily concerned with re-entry TPS design. The strong flow conditions of re-entry, involving Mach numbers of 25, quickly dissociate the oxygen molecules in air. Sustained flight, hypersonic vehicles will be designed to operate in Mach number ranges of 5 to 10. The oxygen molecules will not quickly dissociate and will play an important role in the flow field behavior. The development of nonequilibrium models of oxygen is crucial for limiting modeling uncertainty. Thermochemical nonequilibrium modeling is investigated for oxygen flows. Specifically, the vibrational relaxation and dissociation behavior that dominate the nonequilibrium physics in this flight regime are studied in detail. The widely used two-temperature (2T) approach is compared to the higher fidelity and more computationally expensive state-to-state (STS) approach. This dissertation utilizes a wide range of rate sources, including newly available STS rates, to conduct a comprehensive study of modeling approaches for hypersonic nonequilibrium thermochemical modeling. Additionally, the physical accuracy of the computational methods are assessed by comparing the numerical results with available experimental data. The numerical results and experimental measurements present strong nonequilibrium, and even non-Boltzmann behavior in the vibrational energy mode for the sustained hypersonic flight regime. The STS approach is able to better capture the behavior observed in the experimental data, especially for stronger nonequilibrium conditions. Additionally, a reduced order model (ROM) modification to the 2T model is developed to improve the capability of the 2T approach framework.

Finite element simulation of articular contact mechanics with quadratic tetrahedral elements.

PubMed

Maas, Steve A; Ellis, Benjamin J; Rawlins, David S; Weiss, Jeffrey A

2016-03-21

Although it is easier to generate finite element discretizations with tetrahedral elements, trilinear hexahedral (HEX8) elements are more often used in simulations of articular contact mechanics. This is due to numerical shortcomings of linear tetrahedral (TET4) elements, limited availability of quadratic tetrahedron elements in combination with effective contact algorithms, and the perceived increased computational expense of quadratic finite elements. In this study we implemented both ten-node (TET10) and fifteen-node (TET15) quadratic tetrahedral elements in FEBio (www.febio.org) and compared their accuracy, robustness in terms of convergence behavior and computational cost for simulations relevant to articular contact mechanics. Suitable volume integration and surface integration rules were determined by comparing the results of several benchmark contact problems. The results demonstrated that the surface integration rule used to evaluate the contact integrals for quadratic elements affected both convergence behavior and accuracy of predicted stresses. The computational expense and robustness of both quadratic tetrahedral formulations compared favorably to the HEX8 models. Of note, the TET15 element demonstrated superior convergence behavior and lower computational cost than both the TET10 and HEX8 elements for meshes with similar numbers of degrees of freedom in the contact problems that we examined. Finally, the excellent accuracy and relative efficiency of these quadratic tetrahedral elements was illustrated by comparing their predictions with those for a HEX8 mesh for simulation of articular contact in a fully validated model of the hip. These results demonstrate that TET10 and TET15 elements provide viable alternatives to HEX8 elements for simulation of articular contact mechanics. Copyright © 2016 Elsevier Ltd. All rights reserved.

A Case against Computer Symbolic Manipulation in School Mathematics Today.

ERIC Educational Resources Information Center

Waits, Bert K.; Demana, Franklin

1992-01-01

Presented are two reasons discouraging computer symbol manipulation systems use in school mathematics at present: cost for computer laboratories or expensive pocket computers; and impracticality of exact solution representations. Although development with this technology in mathematics education advances, graphing calculators are recommended to…

The Effect of Computer Automation on Institutional Review Board (IRB) Office Efficiency

ERIC Educational Resources Information Center

Oder, Karl; Pittman, Stephanie

2015-01-01

Companies purchase computer systems to make their processes more efficient through automation. Some academic medical centers (AMC) have purchased computer systems for their institutional review boards (IRB) to increase efficiency and compliance with regulations. IRB computer systems are expensive to purchase, deploy, and maintain. An AMC should…

Simplified Models for Accelerated Structural Prediction of Conjugated Semiconducting Polymers

DOE PAGES

Henry, Michael M.; Jones, Matthew L.; Oosterhout, Stefan D.; ...

2017-11-08

We perform molecular dynamics simulations of poly(benzodithiophene-thienopyrrolodione) (BDT-TPD) oligomers in order to evaluate the accuracy with which unoptimized molecular models can predict experimentally characterized morphologies. The predicted morphologies are characterized using simulated grazing-incidence X-ray scattering (GIXS) and compared to the experimental scattering patterns. We find that approximating the aromatic rings in BDT-TPD with rigid bodies, rather than combinations of bond, angle, and dihedral constraints, results in 14% lower computational cost and provides nearly equivalent structural predictions compared to the flexible model case. The predicted glass transition temperature of BDT-TPD (410 +/- 32 K) is found to be in agreement withmore » experiments. Predicted morphologies demonstrate short-range structural order due to stacking of the chain backbones (p-p stacking around 3.9 A), and long-range spatial correlations due to the self-organization of backbone stacks into 'ribbons' (lamellar ordering around 20.9 A), representing the best-to-date computational predictions of structure of complex conjugated oligomers. We find that expensive simulated annealing schedules are not needed to predict experimental structures here, with instantaneous quenches providing nearly equivalent predictions at a fraction of the computational cost of annealing. We therefore suggest utilizing rigid bodies and fast cooling schedules for high-throughput screening studies of semiflexible polymers and oligomers to utilize their significant computational benefits where appropriate.« less

Simplified Models for Accelerated Structural Prediction of Conjugated Semiconducting Polymers

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

Henry, Michael M.; Jones, Matthew L.; Oosterhout, Stefan D.

We perform molecular dynamics simulations of poly(benzodithiophene-thienopyrrolodione) (BDT-TPD) oligomers in order to evaluate the accuracy with which unoptimized molecular models can predict experimentally characterized morphologies. The predicted morphologies are characterized using simulated grazing-incidence X-ray scattering (GIXS) and compared to the experimental scattering patterns. We find that approximating the aromatic rings in BDT-TPD with rigid bodies, rather than combinations of bond, angle, and dihedral constraints, results in 14% lower computational cost and provides nearly equivalent structural predictions compared to the flexible model case. The predicted glass transition temperature of BDT-TPD (410 +/- 32 K) is found to be in agreement withmore » experiments. Predicted morphologies demonstrate short-range structural order due to stacking of the chain backbones (p-p stacking around 3.9 A), and long-range spatial correlations due to the self-organization of backbone stacks into 'ribbons' (lamellar ordering around 20.9 A), representing the best-to-date computational predictions of structure of complex conjugated oligomers. We find that expensive simulated annealing schedules are not needed to predict experimental structures here, with instantaneous quenches providing nearly equivalent predictions at a fraction of the computational cost of annealing. We therefore suggest utilizing rigid bodies and fast cooling schedules for high-throughput screening studies of semiflexible polymers and oligomers to utilize their significant computational benefits where appropriate.« less

Multifidelity-CMA: a multifidelity approach for efficient personalisation of 3D cardiac electromechanical models.

PubMed

Molléro, Roch; Pennec, Xavier; Delingette, Hervé; Garny, Alan; Ayache, Nicholas; Sermesant, Maxime

2018-02-01

Personalised computational models of the heart are of increasing interest for clinical applications due to their discriminative and predictive abilities. However, the simulation of a single heartbeat with a 3D cardiac electromechanical model can be long and computationally expensive, which makes some practical applications, such as the estimation of model parameters from clinical data (the personalisation), very slow. Here we introduce an original multifidelity approach between a 3D cardiac model and a simplified "0D" version of this model, which enables to get reliable (and extremely fast) approximations of the global behaviour of the 3D model using 0D simulations. We then use this multifidelity approximation to speed-up an efficient parameter estimation algorithm, leading to a fast and computationally efficient personalisation method of the 3D model. In particular, we show results on a cohort of 121 different heart geometries and measurements. Finally, an exploitable code of the 0D model with scripts to perform parameter estimation will be released to the community.

Extending the length and time scales of Gram–Schmidt Lyapunov vector computations

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

Costa, Anthony B., E-mail: acosta@northwestern.edu; Green, Jason R., E-mail: jason.green@umb.edu; Department of Chemistry, University of Massachusetts Boston, Boston, MA 02125

Lyapunov vectors have found growing interest recently due to their ability to characterize systems out of thermodynamic equilibrium. The computation of orthogonal Gram–Schmidt vectors requires multiplication and QR decomposition of large matrices, which grow as N{sup 2} (with the particle count). This expense has limited such calculations to relatively small systems and short time scales. Here, we detail two implementations of an algorithm for computing Gram–Schmidt vectors. The first is a distributed-memory message-passing method using Scalapack. The second uses the newly-released MAGMA library for GPUs. We compare the performance of both codes for Lennard–Jones fluids from N=100 to 1300 betweenmore » Intel Nahalem/Infiniband DDR and NVIDIA C2050 architectures. To our best knowledge, these are the largest systems for which the Gram–Schmidt Lyapunov vectors have been computed, and the first time their calculation has been GPU-accelerated. We conclude that Lyapunov vector calculations can be significantly extended in length and time by leveraging the power of GPU-accelerated linear algebra.« less

78 FR 50374 - Proposed Information Collection; Comment Request; Information and Communication Technology Survey

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-19

... expenses (purchases; and operating leases and rental payments) for four types of information and communication technology equipment and software (computers and peripheral equipment; ICT equipment, excluding computers and peripherals; electromedical and electrotherapeutic apparatus; and computer software, including...

Adaptive Mesh Refinement for Microelectronic Device Design

NASA Technical Reports Server (NTRS)

Cwik, Tom; Lou, John; Norton, Charles

1999-01-01

Finite element and finite volume methods are used in a variety of design simulations when it is necessary to compute fields throughout regions that contain varying materials or geometry. Convergence of the simulation can be assessed by uniformly increasing the mesh density until an observable quantity stabilizes. Depending on the electrical size of the problem, uniform refinement of the mesh may be computationally infeasible due to memory limitations. Similarly, depending on the geometric complexity of the object being modeled, uniform refinement can be inefficient since regions that do not need refinement add to the computational expense. In either case, convergence to the correct (measured) solution is not guaranteed. Adaptive mesh refinement methods attempt to selectively refine the region of the mesh that is estimated to contain proportionally higher solution errors. The refinement may be obtained by decreasing the element size (h-refinement), by increasing the order of the element (p-refinement) or by a combination of the two (h-p refinement). A successful adaptive strategy refines the mesh to produce an accurate solution measured against the correct fields without undue computational expense. This is accomplished by the use of a) reliable a posteriori error estimates, b) hierarchal elements, and c) automatic adaptive mesh generation. Adaptive methods are also useful when problems with multi-scale field variations are encountered. These occur in active electronic devices that have thin doped layers and also when mixed physics is used in the calculation. The mesh needs to be fine at and near the thin layer to capture rapid field or charge variations, but can coarsen away from these layers where field variations smoothen and charge densities are uniform. This poster will present an adaptive mesh refinement package that runs on parallel computers and is applied to specific microelectronic device simulations. Passive sensors that operate in the infrared portion of the spectrum as well as active device simulations that model charge transport and Maxwell's equations will be presented.

Low-Cost Terminal Alternative for Learning Center Managers. Final Report.

ERIC Educational Resources Information Center

Nix, C. Jerome; And Others

This study established the feasibility of replacing high performance and relatively expensive computer terminals with less expensive ones adequate for supporting specific tasks of Advanced Instructional System (AIS) at Lowry AFB, Colorado. Surveys of user requirements and available devices were conducted and the results used in a system analysis.…

A Lumped Computational Model for Sodium Sulfur Battery Analysis

NASA Astrophysics Data System (ADS)

Wu, Fan

Due to the cost of materials and time consuming testing procedures, development of new batteries is a slow and expensive practice. The purpose of this study is to develop a computational model and assess the capabilities of such a model designed to aid in the design process and control of sodium sulfur batteries. To this end, a transient lumped computational model derived from an integral analysis of the transport of species, energy and charge throughout the battery has been developed. The computation processes are coupled with the use of Faraday's law, and solutions for the species concentrations, electrical potential and current are produced in a time marching fashion. Properties required for solving the governing equations are calculated and updated as a function of time based on the composition of each control volume. The proposed model is validated against multi- dimensional simulations and experimental results from literatures, and simulation results using the proposed model is presented and analyzed. The computational model and electrochemical model used to solve the equations for the lumped model are compared with similar ones found in the literature. The results obtained from the current model compare favorably with those from experiments and other models.

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.

Web-Based Job Submission Interface for the GAMESS Computational Chemistry Program

ERIC Educational Resources Information Center

Perri, M. J.; Weber, S. H.

2014-01-01

A Web site is described that facilitates use of the free computational chemistry software: General Atomic and Molecular Electronic Structure System (GAMESS). Its goal is to provide an opportunity for undergraduate students to perform computational chemistry experiments without the need to purchase expensive software.

Computing Systems | High-Performance Computing | NREL

Science.gov Websites

investigate, build, and test models of complex phenomena or entire integrated systems-that cannot be directly observed or manipulated in the lab, or would be too expensive or time consuming. Models and visualizations

Test-Free Fracture Toughness

NASA Technical Reports Server (NTRS)

Minnetyan, Levon; Chamis, Christos C. (Technical Monitor)

2003-01-01

Computational simulation results can give the prediction of damage growth and progression and fracture toughness of composite structures. The experimental data from literature provide environmental effects on the fracture behavior of metallic or fiber composite structures. However, the traditional experimental methods to analyze the influence of the imposed conditions are expensive and time consuming. This research used the CODSTRAN code to model the temperature effects, scaling effects and the loading effects of fiber/braided composite specimens with and without fiber-optic sensors on the damage initiation and energy release rates. The load-displacement relationship and fracture toughness assessment approach is compared with the test results from literature and it is verified that the computational simulation, with the use of established material modeling and finite element modules, adequately tracks the changes of fracture toughness and subsequent fracture propagation for any fiber/braided composite structure due to the change of fiber orientations, presence of large diameter optical fibers, and any loading conditions.

Test-Free Fracture Toughness

NASA Technical Reports Server (NTRS)

Minnetyan, Levon; Chamis, Christos C. (Technical Monitor)

2003-01-01

Computational simulation results can give the prediction of damage growth and progression and fracture toughness of composite structures. The experimental data from literature provide environmental effects on the fracture behavior of metallic or fiber composite structures. However, the traditional experimental methods to analyze the influence of the imposed conditions are expensive and time consuming. This research used the CODSTRAN code to model the temperature effects, scaling effects and the loading effects of fiberbraided composite specimens with and without fiber-optic sensors on the damage initiation and energy release rates. The load-displacement relationship and fracture toughness assessment approach is compared with the test results from literature and it is verified that the computational simulation, with the use of established material modeling and finite element modules, adequately tracks the changes of fracture toughness and subsequent fracture propagation for any fiberbraided composite structure due to the change of fiber orientations, presence of large diameter optical fibers, and any loading conditions.

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

Fang, Xiao; Blazek, Jonathan A.; McEwen, Joseph E.

Cosmological perturbation theory is a powerful tool to predict the statistics of large-scale structure in the weakly non-linear regime, but even at 1-loop order it results in computationally expensive mode-coupling integrals. Here we present a fast algorithm for computing 1-loop power spectra of quantities that depend on the observer's orientation, thereby generalizing the FAST-PT framework (McEwen et al., 2016) that was originally developed for scalars such as the matter density. This algorithm works for an arbitrary input power spectrum and substantially reduces the time required for numerical evaluation. We apply the algorithm to four examples: intrinsic alignments of galaxies inmore » the tidal torque model; the Ostriker-Vishniac effect; the secondary CMB polarization due to baryon flows; and the 1-loop matter power spectrum in redshift space. Code implementing this algorithm and these applications is publicly available at https://github.com/JoeMcEwen/FAST-PT.« less

Hybrid discrete/continuum algorithms for stochastic reaction networks

DOE PAGES

Safta, Cosmin; Sargsyan, Khachik; Debusschere, Bert; ...

2014-10-22

Direct solutions of the Chemical Master Equation (CME) governing Stochastic Reaction Networks (SRNs) are generally prohibitively expensive due to excessive numbers of possible discrete states in such systems. To enhance computational efficiency we develop a hybrid approach where the evolution of states with low molecule counts is treated with the discrete CME model while that of states with large molecule counts is modeled by the continuum Fokker-Planck equation. The Fokker-Planck equation is discretized using a 2nd order finite volume approach with appropriate treatment of flux components to avoid negative probability values. The numerical construction at the interface between the discretemore » and continuum regions implements the transfer of probability reaction by reaction according to the stoichiometry of the system. As a result, the performance of this novel hybrid approach is explored for a two-species circadian model with computational efficiency gains of about one order of magnitude.« less

Gadolinium-enhanced computed tomographic angiography: current status.

PubMed

Rosioreanu, Alex; Alberico, Ronald A; Litwin, Alan; Hon, Man; Grossman, Zachary D; Katz, Douglas S

2005-01-01

This article reviews the research to date, as well as our clinical experience from two institutions, on gadolinium-enhanced computed tomographic angiography (gCTA) for imaging the body. gCTA may be an appropriate examination for the small percentage of patients who would benefit from noninvasive vascular imaging, but who have contraindications to both iodinated contrast and magnetic resonance imaging. gCTA is more expensive than CTA with iodinated contrast, due to the dose of gadolinium administered, and gCTA has limitations compared with CTA with iodinated contrast, in that parenchymal organs are not optimally enhanced at doses of 0.5 mmol/kg or lower. However, in our experience, gCTA has been a very useful problem-solving examination in carefully selected patients. With the advent of 16-64 detector CT, in combination with bolus tracking, we believe that the overall dose of gadolinium needed for diagnostic CTA examinations, while relatively high, can be safely administered.

Enhanced Wang Landau sampling of adsorbed protein conformations.

PubMed

Radhakrishna, Mithun; Sharma, Sumit; Kumar, Sanat K

2012-03-21

Using computer simulations to model the folding of proteins into their native states is computationally expensive due to the extraordinarily low degeneracy of the ground state. In this paper, we develop an efficient way to sample these folded conformations using Wang Landau sampling coupled with the configurational bias method (which uses an unphysical "temperature" that lies between the collapse and folding transition temperatures of the protein). This method speeds up the folding process by roughly an order of magnitude over existing algorithms for the sequences studied. We apply this method to study the adsorption of intrinsically disordered hydrophobic polar protein fragments on a hydrophobic surface. We find that these fragments, which are unstructured in the bulk, acquire secondary structure upon adsorption onto a strong hydrophobic surface. Apparently, the presence of a hydrophobic surface allows these random coil fragments to fold by providing hydrophobic contacts that were lost in protein fragmentation. © 2012 American Institute of Physics

Model-based spectral estimation of Doppler signals using parallel genetic algorithms.

PubMed

Solano González, J; Rodríguez Vázquez, K; García Nocetti, D F

2000-05-01

Conventional spectral analysis methods use a fast Fourier transform (FFT) on consecutive or overlapping windowed data segments. For Doppler ultrasound signals, this approach suffers from an inadequate frequency resolution due to the time segment duration and the non-stationarity characteristics of the signals. Parametric or model-based estimators can give significant improvements in the time-frequency resolution at the expense of a higher computational complexity. This work describes an approach which implements in real-time a parametric spectral estimator method using genetic algorithms (GAs) in order to find the optimum set of parameters for the adaptive filter that minimises the error function. The aim is to reduce the computational complexity of the conventional algorithm by using the simplicity associated to GAs and exploiting its parallel characteristics. This will allow the implementation of higher order filters, increasing the spectrum resolution, and opening a greater scope for using more complex methods.

41 CFR 301-10.301 - How do I compute my mileage reimbursement?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 41 Public Contracts and Property Management 4 2010-07-01 2010-07-01 false How do I compute my...-TRANSPORTATION EXPENSES Privately Owned Vehicle (POV) § 301-10.301 How do I compute my mileage reimbursement? You compute mileage reimbursement by multiplying the distance traveled, determined under § 301-10.302 of this...

Is Your School Y2K-OK?

ERIC Educational Resources Information Center

Bates, Martine G.

1999-01-01

The most vulnerable Y2K areas for schools are networked computers, free-standing personal computers, software, and embedded chips in utilities such as telephones and fire alarms. Expensive, time-consuming procedures and software have been developed for testing and bringing most computers into compliance. Districts need a triage prioritization…

Understanding the Internet.

ERIC Educational Resources Information Center

Oblinger, Diana

The Internet is an international network linking hundreds of smaller computer networks in North America, Europe, and Asia. Using the Internet, computer users can connect to a variety of computers with little effort or expense. The potential for use by college faculty is enormous. The largest problem faced by most users is understanding what such…

"Mini", "Midi" and the Student.

ERIC Educational Resources Information Center

Edwards, Perry; Broadwell, Bruce

Mini- and midi-computers have been introduced into the computer science program at Sierra College to afford students more direct contact with computers. The college's administration combined with the Science and Business departments to share the expense and utilization of the program. The National Cash Register Century 100 and the Data General…

48 CFR 970.5227-1 - Rights in data-facilities.

Code of Federal Regulations, 2010 CFR

2010-10-01

... software. (2) Computer software, as used in this clause, means (i) computer programs which are data... software. The term “data” does not include data incidental to the administration of this contract, such as... this clause, means data, other than computer software, developed at private expense that embody trade...

Acceleration of fluoro-CT reconstruction for a mobile C-Arm on GPU and FPGA hardware: a simulation study

NASA Astrophysics Data System (ADS)

Xue, Xinwei; Cheryauka, Arvi; Tubbs, David

2006-03-01

CT imaging in interventional and minimally-invasive surgery requires high-performance computing solutions that meet operational room demands, healthcare business requirements, and the constraints of a mobile C-arm system. The computational requirements of clinical procedures using CT-like data are increasing rapidly, mainly due to the need for rapid access to medical imagery during critical surgical procedures. The highly parallel nature of Radon transform and CT algorithms enables embedded computing solutions utilizing a parallel processing architecture to realize a significant gain of computational intensity with comparable hardware and program coding/testing expenses. In this paper, using a sample 2D and 3D CT problem, we explore the programming challenges and the potential benefits of embedded computing using commodity hardware components. The accuracy and performance results obtained on three computational platforms: a single CPU, a single GPU, and a solution based on FPGA technology have been analyzed. We have shown that hardware-accelerated CT image reconstruction can be achieved with similar levels of noise and clarity of feature when compared to program execution on a CPU, but gaining a performance increase at one or more orders of magnitude faster. 3D cone-beam or helical CT reconstruction and a variety of volumetric image processing applications will benefit from similar accelerations.

RenderMan design principles

NASA Technical Reports Server (NTRS)

Apodaca, Tony; Porter, Tom

1989-01-01

The two worlds of interactive graphics and realistic graphics have remained separate. Fast graphics hardware runs simple algorithms and generates simple looking images. Photorealistic image synthesis software runs slowly on large expensive computers. The time has come for these two branches of computer graphics to merge. The speed and expense of graphics hardware is no longer the barrier to the wide acceptance of photorealism. There is every reason to believe that high quality image synthesis will become a standard capability of every graphics machine, from superworkstation to personal computer. The significant barrier has been the lack of a common language, an agreed-upon set of terms and conditions, for 3-D modeling systems to talk to 3-D rendering systems for computing an accurate rendition of that scene. Pixar has introduced RenderMan to serve as that common language. RenderMan, specifically the extensibility it offers in shading calculations, is discussed.

Extending Strong Scaling of Quantum Monte Carlo to the Exascale

NASA Astrophysics Data System (ADS)

Shulenburger, Luke; Baczewski, Andrew; Luo, Ye; Romero, Nichols; Kent, Paul

Quantum Monte Carlo is one of the most accurate and most computationally expensive methods for solving the electronic structure problem. In spite of its significant computational expense, its massively parallel nature is ideally suited to petascale computers which have enabled a wide range of applications to relatively large molecular and extended systems. Exascale capabilities have the potential to enable the application of QMC to significantly larger systems, capturing much of the complexity of real materials such as defects and impurities. However, both memory and computational demands will require significant changes to current algorithms to realize this possibility. This talk will detail both the causes of the problem and potential solutions. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corp, a wholly owned subsidiary of Lockheed Martin Corp, for the US Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000.

A Study of Ship Acquisition Cost Estimating in the Naval Sea Systems Command. Appendices

DTIC Science & Technology

1977-10-01

Shipbuilding Is A Heovy Fabrication Industry Pro- ducing Small Numbers Of Expensive, Complex Units Of Output PAGE A-2 (1) Due to its heavy ...estimate future ship construction costs. - A-l 1. SHIPBUILDING IS A HEAVY FABRICATION INDUSTRY PRODUCING SMALL NUMBERS OF EXPENSIVE, COMPLEX...extensively in production line industries such as automotive products and the airframe industry. (1) Due To Its Heavy Construction Orientation

Is It Deductible? Sound Tax Advice for Board Members.

ERIC Educational Resources Information Center

Spence, Robert W.; Dakan, T. Teal

1982-01-01

Discusses school board members' expenses that may be tax deductible, including newsletter funds and such business expenses as those for travel, telephone calls, organizational dues, professional publications, cards, gifts, entertainment, and a home office. (JM)

Total Health-Related Costs Due to Absenteeism, Presenteeism, and Medical and Pharmaceutical Expenses in Japanese Employers

PubMed Central

Nagata, Tomohisa; Mori, Koji; Ohtani, Makoto; Nagata, Masako; Kajiki, Shigeyuki; Fujino, Yoshihisa; Matsuda, Shinya; Loeppke, Ronald

2018-01-01

Objective: This study aimed to examine a detailed breakdown of costs (absenteeism, presenteeism, and medical/pharmaceutical expenses), of the employees in four pharmaceutical companies in Japan. Methods: This is a cross-sectional study. Absenteeism and presenteeism were measured by a self-administered questionnaire for workers, and their costs were estimated using the human capital approach. Presenteeism was evaluated by the degree affected quality and quantity of work. Medical and pharmaceutical expenses were obtained by insurance claims. Results: The monetary value due to absenteeism was $520 per person per year (11%), that of presenteeism was $3055 (64%), and medical/pharmaceutical expenses were $1165 (25%). Two of the highest total cost burdens from chronic illness were related to mental (behavioral) health conditions and musculoskeletal disorders. Conclusion: A total cost approach can help employers set priorities for occupational health, safety, and population health management initiatives. PMID:29394196

Anharmonic interatomic force constants and thermal conductivity from Grüneisen parameters: An application to graphene

NASA Astrophysics Data System (ADS)

Lee, Ching Hua; Gan, Chee Kwan

2017-07-01

Phonon-mediated thermal conductivity, which is of great technological relevance, arises due fundamentally to anharmonic scattering from interatomic potentials. Despite its prevalence, accurate first-principles calculations of thermal conductivity remain challenging, primarily due to the high computational cost of anharmonic interatomic force constant (IFC) calculations. Meanwhile, the related anharmonic phenomenon of thermal expansion is much more tractable, being computable from the Grüneisen parameters associated with phonon frequency shifts due to crystal deformations. In this work, we propose an approach for computing the largest cubic IFCs from the Grüneisen parameter data. This allows an approximate determination of the thermal conductivity via a much less expensive route. The key insight is that although the Grüneisen parameters cannot possibly contain all the information on the cubic IFCs, being derivable from spatially uniform deformations, they can still unambiguously and accurately determine the largest and most physically relevant ones. By fitting the anisotropic Grüneisen parameter data along judiciously designed deformations, we can deduce (i.e., reverse-engineer) the dominant cubic IFCs and estimate three-phonon scattering amplitudes. We illustrate our approach by explicitly computing the largest cubic IFCs and thermal conductivity of graphene, especially for its out-of-plane (flexural) modes that exhibit anomalously large anharmonic shifts and thermal conductivity contributions. Our calculations on graphene not only exhibit reasonable agreement with established density-functional theory results, but they also present a pedagogical opportunity for introducing an elegant analytic treatment of the Grüneisen parameters of generic two-band models. Our approach can be readily extended to more complicated crystalline materials with nontrivial anharmonic lattice effects.

Predictive uncertainty analysis of plume distribution for geological carbon sequestration using sparse-grid Bayesian method

NASA Astrophysics Data System (ADS)

Shi, X.; Zhang, G.

2013-12-01

Because of the extensive computational burden, parametric uncertainty analyses are rarely conducted for geological carbon sequestration (GCS) process based multi-phase models. The difficulty of predictive uncertainty analysis for the CO2 plume migration in realistic GCS models is not only due to the spatial distribution of the caprock and reservoir (i.e. heterogeneous model parameters), but also because the GCS optimization estimation problem has multiple local minima due to the complex nonlinear multi-phase (gas and aqueous), and multi-component (water, CO2, salt) transport equations. The geological model built by Doughty and Pruess (2004) for the Frio pilot site (Texas) was selected and assumed to represent the 'true' system, which was composed of seven different facies (geological units) distributed among 10 layers. We chose to calibrate the permeabilities of these facies. Pressure and gas saturation values from this true model were then extracted and used as observations for subsequent model calibration. Random noise was added to the observations to approximate realistic field conditions. Each simulation of the model lasts about 2 hours. In this study, we develop a new approach that improves computational efficiency of Bayesian inference by constructing a surrogate system based on an adaptive sparse-grid stochastic collocation method. This surrogate response surface global optimization algorithm is firstly used to calibrate the model parameters, then prediction uncertainty of the CO2 plume position is quantified due to the propagation from parametric uncertainty in the numerical experiments, which is also compared to the actual plume from the 'true' model. Results prove that the approach is computationally efficient for multi-modal optimization and prediction uncertainty quantification for computationally expensive simulation models. Both our inverse methodology and findings can be broadly applicable to GCS in heterogeneous storage formations.

A Computationally Efficient Hypothesis Testing Method for Epistasis Analysis using Multifactor Dimensionality Reduction

PubMed Central

Pattin, Kristine A.; White, Bill C.; Barney, Nate; Gui, Jiang; Nelson, Heather H.; Kelsey, Karl R.; Andrew, Angeline S.; Karagas, Margaret R.; Moore, Jason H.

2008-01-01

Multifactor dimensionality reduction (MDR) was developed as a nonparametric and model-free data mining method for detecting, characterizing, and interpreting epistasis in the absence of significant main effects in genetic and epidemiologic studies of complex traits such as disease susceptibility. The goal of MDR is to change the representation of the data using a constructive induction algorithm to make nonadditive interactions easier to detect using any classification method such as naïve Bayes or logistic regression. Traditionally, MDR constructed variables have been evaluated with a naïve Bayes classifier that is combined with 10-fold cross validation to obtain an estimate of predictive accuracy or generalizability of epistasis models. Traditionally, we have used permutation testing to statistically evaluate the significance of models obtained through MDR. The advantage of permutation testing is that it controls for false-positives due to multiple testing. The disadvantage is that permutation testing is computationally expensive. This is in an important issue that arises in the context of detecting epistasis on a genome-wide scale. The goal of the present study was to develop and evaluate several alternatives to large-scale permutation testing for assessing the statistical significance of MDR models. Using data simulated from 70 different epistasis models, we compared the power and type I error rate of MDR using a 1000-fold permutation test with hypothesis testing using an extreme value distribution (EVD). We find that this new hypothesis testing method provides a reasonable alternative to the computationally expensive 1000-fold permutation test and is 50 times faster. We then demonstrate this new method by applying it to a genetic epidemiology study of bladder cancer susceptibility that was previously analyzed using MDR and assessed using a 1000-fold permutation test. PMID:18671250

Cupola Furnace Computer Process Model

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

Seymour Katz

2004-12-31

The cupola furnace generates more than 50% of the liquid iron used to produce the 9+ million tons of castings annually. The cupola converts iron and steel into cast iron. The main advantages of the cupola furnace are lower energy costs than those of competing furnaces (electric) and the ability to melt less expensive metallic scrap than the competing furnaces. However the chemical and physical processes that take place in the cupola furnace are highly complex making it difficult to operate the furnace in optimal fashion. The results are low energy efficiency and poor recovery of important and expensive alloymore » elements due to oxidation. Between 1990 and 2004 under the auspices of the Department of Energy, the American Foundry Society and General Motors Corp. a computer simulation of the cupola furnace was developed that accurately describes the complex behavior of the furnace. When provided with the furnace input conditions the model provides accurate values of the output conditions in a matter of seconds. It also provides key diagnostics. Using clues from the diagnostics a trained specialist can infer changes in the operation that will move the system toward higher efficiency. Repeating the process in an iterative fashion leads to near optimum operating conditions with just a few iterations. More advanced uses of the program have been examined. The program is currently being combined with an ''Expert System'' to permit optimization in real time. The program has been combined with ''neural network'' programs to affect very easy scanning of a wide range of furnace operation. Rudimentary efforts were successfully made to operate the furnace using a computer. References to these more advanced systems will be found in the ''Cupola Handbook''. Chapter 27, American Foundry Society, Des Plaines, IL (1999).« less

[Diagnostic possibilities of digital volume tomography].

PubMed

Lemkamp, Michael; Filippi, Andreas; Berndt, Dorothea; Lambrecht, J Thomas

2006-01-01

Cone beam computed tomography allows high quality 3D images of cranio-facial structures. Although detail resolution is increased, x-ray exposition is reduced compared to classic computer tomography. The volume is analysed in three orthogonal plains, which can be rotated independently without quality loss. Cone beam computed tomography seems to be a less expensive and less x-ray exposing alternative to classic computer tomography.

hPIN/hTAN: Low-Cost e-Banking Secure against Untrusted Computers

NASA Astrophysics Data System (ADS)

Li, Shujun; Sadeghi, Ahmad-Reza; Schmitz, Roland

We propose hPIN/hTAN, a low-cost token-based e-banking protection scheme when the adversary has full control over the user's computer. Compared with existing hardware-based solutions, hPIN/hTAN depends on neither second trusted channel, nor secure keypad, nor computationally expensive encryption module.

The AAHA Computer Program. American Animal Hospital Association.

PubMed

Albers, J W

1986-07-01

The American Animal Hospital Association Computer Program should benefit all small animal practitioners. Through the availability of well-researched and well-developed certified software, veterinarians will have increased confidence in their purchase decisions. With the expansion of computer applications to improve practice management efficiency, veterinary computer systems will further justify their initial expense. The development of the Association's veterinary computer network will provide a variety of important services to the profession.

Microplasma fabrication: from semiconductor technology for 2D-chips and microfluidic channels to rapid prototyping and 3D-printing of microplasma devices

NASA Astrophysics Data System (ADS)

Shatford, R.; Karanassios, Vassili

2014-05-01

Microplasmas are receiving attention in recent conferences and current scientific literature. In our laboratory, microplasmas-on-chips proved to be particularly attractive. The 2D- and 3D-chips we developed became hybrid because they were fitted with a quartz plate (quartz was used due to its transparency to UV). Fabrication of 2D- and 3D-chips for microplasma research is described. The fabrication methods described ranged from semiconductor fabrication technology, to Computer Numerical Control (CNC) machining, to 3D-printing. These methods may prove to be useful for those contemplating in entering microplasma research but have no access to expensive semiconductor fabrication equipment.

Numerical experience with a class of algorithms for nonlinear optimization using inexact function and gradient information

NASA Technical Reports Server (NTRS)

Carter, Richard G.

1989-01-01

For optimization problems associated with engineering design, parameter estimation, image reconstruction, and other optimization/simulation applications, low accuracy function and gradient values are frequently much less expensive to obtain than high accuracy values. Here, researchers investigate the computational performance of trust region methods for nonlinear optimization when high accuracy evaluations are unavailable or prohibitively expensive, and confirm earlier theoretical predictions when the algorithm is convergent even with relative gradient errors of 0.5 or more. The proper choice of the amount of accuracy to use in function and gradient evaluations can result in orders-of-magnitude savings in computational cost.

Multiobjective Aerodynamic Shape Optimization Using Pareto Differential Evolution and Generalized Response Surface Metamodels

NASA Technical Reports Server (NTRS)

Madavan, Nateri K.

2004-01-01

Differential Evolution (DE) is a simple, fast, and robust evolutionary algorithm that has proven effective in determining the global optimum for several difficult single-objective optimization problems. The DE algorithm has been recently extended to multiobjective optimization problem by using a Pareto-based approach. In this paper, a Pareto DE algorithm is applied to multiobjective aerodynamic shape optimization problems that are characterized by computationally expensive objective function evaluations. To improve computational expensive the algorithm is coupled with generalized response surface meta-models based on artificial neural networks. Results are presented for some test optimization problems from the literature to demonstrate the capabilities of the method.

Simulation tools for robotics research and assessment

NASA Astrophysics Data System (ADS)

Fields, MaryAnne; Brewer, Ralph; Edge, Harris L.; Pusey, Jason L.; Weller, Ed; Patel, Dilip G.; DiBerardino, Charles A.

2016-05-01

The Robotics Collaborative Technology Alliance (RCTA) program focuses on four overlapping technology areas: Perception, Intelligence, Human-Robot Interaction (HRI), and Dexterous Manipulation and Unique Mobility (DMUM). In addition, the RCTA program has a requirement to assess progress of this research in standalone as well as integrated form. Since the research is evolving and the robotic platforms with unique mobility and dexterous manipulation are in the early development stage and very expensive, an alternate approach is needed for efficient assessment. Simulation of robotic systems, platforms, sensors, and algorithms, is an attractive alternative to expensive field-based testing. Simulation can provide insight during development and debugging unavailable by many other means. This paper explores the maturity of robotic simulation systems for applications to real-world problems in robotic systems research. Open source (such as Gazebo and Moby), commercial (Simulink, Actin, LMS), government (ANVEL/VANE), and the RCTA-developed RIVET simulation environments are examined with respect to their application in the robotic research domains of Perception, Intelligence, HRI, and DMUM. Tradeoffs for applications to representative problems from each domain are presented, along with known deficiencies and disadvantages. In particular, no single robotic simulation environment adequately covers the needs of the robotic researcher in all of the domains. Simulation for DMUM poses unique constraints on the development of physics-based computational models of the robot, the environment and objects within the environment, and the interactions between them. Most current robot simulations focus on quasi-static systems, but dynamic robotic motion places an increased emphasis on the accuracy of the computational models. In order to understand the interaction of dynamic multi-body systems, such as limbed robots, with the environment, it may be necessary to build component-level computational models to provide the necessary simulation fidelity for accuracy. However, the Perception domain remains the most problematic for adequate simulation performance due to the often cartoon nature of computer rendering and the inability to model realistic electromagnetic radiation effects, such as multiple reflections, in real-time.

Large Eddy/Reynolds-Averaged Navier-Stokes Simulations of CUBRC Base Heating Experiments

NASA Technical Reports Server (NTRS)

Salazar, Giovanni; Edwards, Jack R.; Amar, Adam J.

2012-01-01

ven with great advances in computational techniques and computing power during recent decades, the modeling of unsteady separated flows, such as those encountered in the wake of a re-entry vehicle, continues to be one of the most challenging problems in CFD. Of most interest to the aerothermodynamics community is accurately predicting transient heating loads on the base of a blunt body, which would result in reduced uncertainties and safety margins when designing a re-entry vehicle. However, the prediction of heat transfer can vary widely depending on the turbulence model employed. Therefore, selecting a turbulence model which realistically captures as much of the flow physics as possible will result in improved results. Reynolds Averaged Navier Stokes (RANS) models have become increasingly popular due to their good performance with attached flows, and the relatively quick turnaround time to obtain results. However, RANS methods cannot accurately simulate unsteady separated wake flows, and running direct numerical simulation (DNS) on such complex flows is currently too computationally expensive. Large Eddy Simulation (LES) techniques allow for the computation of the large eddies, which contain most of the Reynolds stress, while modeling the smaller (subgrid) eddies. This results in models which are more computationally expensive than RANS methods, but not as prohibitive as DNS. By complimenting an LES approach with a RANS model, a hybrid LES/RANS method resolves the larger turbulent scales away from surfaces with LES, and switches to a RANS model inside boundary layers. As pointed out by Bertin et al., this type of hybrid approach has shown a lot of promise for predicting turbulent flows, but work is needed to verify that these models work well in hypersonic flows. The very limited amounts of flight and experimental data available presents an additional challenge for researchers. Recently, a joint study by NASA and CUBRC has focused on collecting heat transfer data on the backshell of a scaled model of the Orion Multi-Purpose Crew Vehicle (MPCV). Heat augmentation effects due to the presence of cavities and RCS jet firings were also investigated. The high quality data produced by this effort presents a new set of data which can be used to assess the performance of CFD methods. In this work, a hybrid LES/RANS model developed at North Carolina State University (NCSU) is used to simulate several runs from these experiments, and evaluate the performance of high fidelity methods as compared to more typical RANS models. .

Hermite regularization of the lattice Boltzmann method for open source computational aeroacoustics.

PubMed

Brogi, F; Malaspinas, O; Chopard, B; Bonadonna, C

2017-10-01

The lattice Boltzmann method (LBM) is emerging as a powerful engineering tool for aeroacoustic computations. However, the LBM has been shown to present accuracy and stability issues in the medium-low Mach number range, which is of interest for aeroacoustic applications. Several solutions have been proposed but are often too computationally expensive, do not retain the simplicity and the advantages typical of the LBM, or are not described well enough to be usable by the community due to proprietary software policies. An original regularized collision operator is proposed, based on the expansion of Hermite polynomials, that greatly improves the accuracy and stability of the LBM without significantly altering its algorithm. The regularized LBM can be easily coupled with both non-reflective boundary conditions and a multi-level grid strategy, essential ingredients for aeroacoustic simulations. Excellent agreement was found between this approach and both experimental and numerical data on two different benchmarks: the laminar, unsteady flow past a 2D cylinder and the 3D turbulent jet. Finally, most of the aeroacoustic computations with LBM have been done with commercial software, while here the entire theoretical framework is implemented using an open source library (palabos).

Teacher Tax Tips.

ERIC Educational Resources Information Center

Freeman, Paul

1979-01-01

Discusses income tax deductions for vocational agriculture teachers for expenses incurred through automobiles used for school business, course work expenses, professional dues, classroom supplies, books, cost of bus driving license, liability insurance, and special clothing. A specific example for claiming the deductions on an automobile is…

A review on recent contribution of meshfree methods to structure and fracture mechanics applications.

PubMed

Daxini, S D; Prajapati, J M

2014-01-01

Meshfree methods are viewed as next generation computational techniques. With evident limitations of conventional grid based methods, like FEM, in dealing with problems of fracture mechanics, large deformation, and simulation of manufacturing processes, meshfree methods have gained much attention by researchers. A number of meshfree methods have been proposed till now for analyzing complex problems in various fields of engineering. Present work attempts to review recent developments and some earlier applications of well-known meshfree methods like EFG and MLPG to various types of structure mechanics and fracture mechanics applications like bending, buckling, free vibration analysis, sensitivity analysis and topology optimization, single and mixed mode crack problems, fatigue crack growth, and dynamic crack analysis and some typical applications like vibration of cracked structures, thermoelastic crack problems, and failure transition in impact problems. Due to complex nature of meshfree shape functions and evaluation of integrals in domain, meshless methods are computationally expensive as compared to conventional mesh based methods. Some improved versions of original meshfree methods and other techniques suggested by researchers to improve computational efficiency of meshfree methods are also reviewed here.

Correlation Filters for Detection of Cellular Nuclei in Histopathology Images.

PubMed

Ahmad, Asif; Asif, Amina; Rajpoot, Nasir; Arif, Muhammad; Minhas, Fayyaz Ul Amir Afsar

2017-11-21

Nuclei detection in histology images is an essential part of computer aided diagnosis of cancers and tumors. It is a challenging task due to diverse and complicated structures of cells. In this work, we present an automated technique for detection of cellular nuclei in hematoxylin and eosin stained histopathology images. Our proposed approach is based on kernelized correlation filters. Correlation filters have been widely used in object detection and tracking applications but their strength has not been explored in the medical imaging domain up till now. Our experimental results show that the proposed scheme gives state of the art accuracy and can learn complex nuclear morphologies. Like deep learning approaches, the proposed filters do not require engineering of image features as they can operate directly on histopathology images without significant preprocessing. However, unlike deep learning methods, the large-margin correlation filters developed in this work are interpretable, computationally efficient and do not require specialized or expensive computing hardware. A cloud based webserver of the proposed method and its python implementation can be accessed at the following URL: http://faculty.pieas.edu.pk/fayyaz/software.html#corehist .

Sub-grid drag model for immersed vertical cylinders in fluidized beds

DOE PAGES

Verma, Vikrant; Li, Tingwen; Dietiker, Jean -Francois; ...

2017-01-03

Immersed vertical cylinders are often used as heat exchanger in gas-solid fluidized beds. Computational Fluid Dynamics (CFD) simulations are computationally expensive for large scale systems with bundles of cylinders. Therefore sub-grid models are required to facilitate simulations on a coarse grid, where internal cylinders are treated as a porous medium. The influence of cylinders on the gas-solid flow tends to enhance segregation and affect the gas-solid drag. A correction to gas-solid drag must be modeled using a suitable sub-grid constitutive relationship. In the past, Sarkar et al. have developed a sub-grid drag model for horizontal cylinder arrays based on 2Dmore » simulations. However, the effect of a vertical cylinder arrangement was not considered due to computational complexities. In this study, highly resolved 3D simulations with vertical cylinders were performed in small periodic domains. These simulations were filtered to construct a sub-grid drag model which can then be implemented in coarse-grid simulations. Gas-solid drag was filtered for different solids fractions and a significant reduction in drag was identified when compared with simulation without cylinders and simulation with horizontal cylinders. Slip velocities significantly increase when vertical cylinders are present. Lastly, vertical suspension drag due to vertical cylinders is insignificant however substantial horizontal suspension drag is observed which is consistent to the finding for horizontal cylinders.« less

GPU-accelerated element-free reverse-time migration with Gauss points partition

NASA Astrophysics Data System (ADS)

Zhou, Zhen; Jia, Xiaofeng; Qiang, Xiaodong

2018-06-01

An element-free method (EFM) has been demonstrated successfully in elasticity, heat conduction and fatigue crack growth problems. We present the theory of EFM and its numerical applications in seismic modelling and reverse time migration (RTM). Compared with the finite difference method and the finite element method, the EFM has unique advantages: (1) independence of grids in computation and (2) lower expense and more flexibility (because only the information of the nodes and the boundary of the concerned area is required). However, in EFM, due to improper computation and storage of some large sparse matrices, such as the mass matrix and the stiffness matrix, the method is difficult to apply to seismic modelling and RTM for a large velocity model. To solve the problem of storage and computation efficiency, we propose a concept of Gauss points partition and utilise the graphics processing unit to improve the computational efficiency. We employ the compressed sparse row format to compress the intermediate large sparse matrices and attempt to simplify the operations by solving the linear equations with CULA solver. To improve the computation efficiency further, we introduce the concept of the lumped mass matrix. Numerical experiments indicate that the proposed method is accurate and more efficient than the regular EFM.

Highly parameterized model calibration with cloud computing: an example of regional flow model calibration in northeast Alberta, Canada

NASA Astrophysics Data System (ADS)

Hayley, Kevin; Schumacher, J.; MacMillan, G. J.; Boutin, L. C.

2014-05-01

Expanding groundwater datasets collected by automated sensors, and improved groundwater databases, have caused a rapid increase in calibration data available for groundwater modeling projects. Improved methods of subsurface characterization have increased the need for model complexity to represent geological and hydrogeological interpretations. The larger calibration datasets and the need for meaningful predictive uncertainty analysis have both increased the degree of parameterization necessary during model calibration. Due to these competing demands, modern groundwater modeling efforts require a massive degree of parallelization in order to remain computationally tractable. A methodology for the calibration of highly parameterized, computationally expensive models using the Amazon EC2 cloud computing service is presented. The calibration of a regional-scale model of groundwater flow in Alberta, Canada, is provided as an example. The model covers a 30,865-km2 domain and includes 28 hydrostratigraphic units. Aquifer properties were calibrated to more than 1,500 static hydraulic head measurements and 10 years of measurements during industrial groundwater use. Three regionally extensive aquifers were parameterized (with spatially variable hydraulic conductivity fields), as was the aerial recharge boundary condition, leading to 450 adjustable parameters in total. The PEST-based model calibration was parallelized on up to 250 computing nodes located on Amazon's EC2 servers.

26 CFR 1.50B-3 - Estates and trusts.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 26 Internal Revenue 1 2010-04-01 2010-04-01 true Estates and trusts. 1.50B-3 Section 1.50B-3... Computing Credit for Expenses of Work Incentive Programs § 1.50B-3 Estates and trusts. (a) General rule—(1) In general. In the case of an estate or trust, WIN expenses (as defined in paragraph (a) of § 1.50B-1...

Paradigm Paralysis and the Plight of the PC in Education.

ERIC Educational Resources Information Center

O'Neil, Mick

1998-01-01

Examines the varied factors involved in providing Internet access in K-12 education, including expense, computer installation and maintenance, and security, and explores how the network computer could be useful in this context. Operating systems and servers are discussed. (MSE)

Computational Modeling in Concert with Laboratory Studies: Application to B Cell Differentiation

EPA Science Inventory

Remediation is expensive, so accurate prediction of dose-response is important to help control costs. Dose response is a function of biological mechanisms. Computational models of these mechanisms improve the efficiency of research and provide the capability for prediction.

A Talking Computers System for Persons with Vision and Speech Handicaps. Final Report.

ERIC Educational Resources Information Center

Visek & Maggs, Urbana, IL.

This final report contains a detailed description of six software systems designed to assist individuals with blindness and/or speech disorders in using inexpensive, off-the-shelf computers rather than expensive custom-made devices. The developed software is not written in the native machine language of any particular brand of computer, but in the…

[Cost analysis for navigation in knee endoprosthetics].

PubMed

Cerha, O; Kirschner, S; Günther, K-P; Lützner, J

2009-12-01

Total knee arthroplasty (TKA) is one of the most frequent procedures in orthopaedic surgery. The outcome depends on a range of factors including alignment of the leg and the positioning of the implant in addition to patient-associated factors. Computer-assisted navigation systems can improve the restoration of a neutral leg alignment. This procedure has been established especially in Europe and North America. The additional expenses are not reimbursed in the German DRG system (Diagnosis Related Groups). In the present study a cost analysis of computer-assisted TKA compared to the conventional technique was performed. The acquisition expenses of various navigation systems (5 and 10 year depreciation), annual costs for maintenance and software updates as well as the accompanying costs per operation (consumables, additional operating time) were considered. The additional operating time was determined on the basis of a meta-analysis according to the current literature. Situations with 25, 50, 100, 200 and 500 computer-assisted TKAs per year were simulated. The amount of the incremental costs of the computer-assisted TKA depends mainly on the annual volume and the additional operating time. A relevant decrease of the incremental costs was detected between 50 and 100 procedures per year. In a model with 100 computer-assisted TKAs per year an additional operating time of 14 mins and a 10 year depreciation of the investment costs, the incremental expenses amount to 300-395 depending on the navigation system. Computer-assisted TKA is associated with additional costs. From an economical point of view an amount of more than 50 procedures per year appears to be favourable. The cost-effectiveness could be estimated if long-term results will show a reduction of revisions or a better clinical outcome.

Use of less expensive cigarettes in six cities in China: findings from the International Tobacco Control (ITC) China Survey.

PubMed

Li, Qiang; Hyland, Andrew; Fong, Geoffrey T; Jiang, Yuan; Elton-Marshall, Tara

2010-10-01

The existence of less expensive cigarettes in China may undermine public health. The aim of the current study is to examine the use of less expensive cigarettes in six cities in China. Data was from the baseline wave of the International Tobacco Control (ITC) China Survey of 4815 adult urban smokers in 6 cities, conducted between April and August 2006. The percentage of smokers who reported buying less expensive cigarettes (the lowest pricing tertile within each city) at last purchase was computed. Complex sample multivariate logistic regression models were used to identify factors associated with use of less expensive cigarettes. The association between the use of less expensive cigarettes and intention to quit smoking was also examined. Smokers who reported buying less expensive cigarettes at last purchase tended to be older, heavier smokers, to have lower education and income, and to think more about the money spent on smoking in the last month. Smokers who bought less expensive cigarettes at the last purchase and who were less knowledgeable about the health harm of smoking were less likely to intend to quit smoking. Measures need to be taken to minimise the price differential among cigarette brands and to increase smokers' health knowledge, which may in turn increase their intentions to quit.

A Study of Complex Deep Learning Networks on High Performance, Neuromorphic, and Quantum Computers

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

Potok, Thomas E; Schuman, Catherine D; Young, Steven R

Current Deep Learning models use highly optimized convolutional neural networks (CNN) trained on large graphical processing units (GPU)-based computers with a fairly simple layered network topology, i.e., highly connected layers, without intra-layer connections. Complex topologies have been proposed, but are intractable to train on current systems. Building the topologies of the deep learning network requires hand tuning, and implementing the network in hardware is expensive in both cost and power. In this paper, we evaluate deep learning models using three different computing architectures to address these problems: quantum computing to train complex topologies, high performance computing (HPC) to automatically determinemore » network topology, and neuromorphic computing for a low-power hardware implementation. Due to input size limitations of current quantum computers we use the MNIST dataset for our evaluation. The results show the possibility of using the three architectures in tandem to explore complex deep learning networks that are untrainable using a von Neumann architecture. We show that a quantum computer can find high quality values of intra-layer connections and weights, while yielding a tractable time result as the complexity of the network increases; a high performance computer can find optimal layer-based topologies; and a neuromorphic computer can represent the complex topology and weights derived from the other architectures in low power memristive hardware. This represents a new capability that is not feasible with current von Neumann architecture. It potentially enables the ability to solve very complicated problems unsolvable with current computing technologies.« less

Pseudo-point transport technique: a new method for solving the Boltzmann transport equation in media with highly fluctuating cross sections

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

Nakhai, B.

A new method for solving radiation transport problems is presented. The heart of the technique is a new cross section processing procedure for the calculation of group-to-point and point-to-group cross sections sets. The method is ideally suited for problems which involve media with highly fluctuating cross sections, where the results of the traditional multigroup calculations are beclouded by the group averaging procedures employed. Extensive computational efforts, which would be required to evaluate double integrals in the multigroup treatment numerically, prohibit iteration to optimize the energy boundaries. On the other hand, use of point-to-point techniques (as in the stochastic technique) ismore » often prohibitively expensive due to the large computer storage requirement. The pseudo-point code is a hybrid of the two aforementioned methods (group-to-group and point-to-point) - hence the name pseudo-point - that reduces the computational efforts of the former and the large core requirements of the latter. The pseudo-point code generates the group-to-point or the point-to-group transfer matrices, and can be coupled with the existing transport codes to calculate pointwise energy-dependent fluxes. This approach yields much more detail than is available from the conventional energy-group treatments. Due to the speed of this code, several iterations could be performed (in affordable computing efforts) to optimize the energy boundaries and the weighting functions. The pseudo-point technique is demonstrated by solving six problems, each depicting a certain aspect of the technique. The results are presented as flux vs energy at various spatial intervals. The sensitivity of the technique to the energy grid and the savings in computational effort are clearly demonstrated.« less

12 CFR 611.1255 - Exit fee calculation.

Code of Federal Regulations, 2010 CFR

2010-01-01

... statements, as of the termination date, must be independently audited by a qualified public accountant. (4.... Related expenses include, but are not limited to, legal services, accounting services, tax services... of current and deferred tax expenses, if any, due to the termination. (iii) Add to assets the dollar...

49 CFR Appendix A to Part 1511 - Aviation Security Infrastructure Fee

Code of Federal Regulations, 2012 CFR

2012-10-01

.... Please also submit the same information in Microsoft Word either on a computer disk or by e-mail to TSA..., including Checkpoint Screening Supervisors. 7. All associated expensed non-labor costs including computers, communications equipment, time management systems, supplies, parking, identification badging, furniture, fixtures...

49 CFR Appendix A to Part 1511 - Aviation Security Infrastructure Fee

Code of Federal Regulations, 2014 CFR

2014-10-01

.... Please also submit the same information in Microsoft Word either on a computer disk or by e-mail to TSA..., including Checkpoint Screening Supervisors. 7. All associated expensed non-labor costs including computers, communications equipment, time management systems, supplies, parking, identification badging, furniture, fixtures...

49 CFR Appendix A to Part 1511 - Aviation Security Infrastructure Fee

Code of Federal Regulations, 2013 CFR

2013-10-01

.... Please also submit the same information in Microsoft Word either on a computer disk or by e-mail to TSA..., including Checkpoint Screening Supervisors. 7. All associated expensed non-labor costs including computers, communications equipment, time management systems, supplies, parking, identification badging, furniture, fixtures...

Computer-assisted coding and clinical documentation: first things first.

PubMed

Tully, Melinda; Carmichael, Angela

2012-10-01

Computer-assisted coding tools have the potential to drive improvements in seven areas: Transparency of coding. Productivity (generally by 20 to 25 percent for inpatient claims). Accuracy (by improving specificity of documentation). Cost containment (by reducing overtime expenses, audit fees, and denials). Compliance. Efficiency. Consistency.

18 CFR 367.1630 - Account 163, Stores expense undistributed.

Code of Federal Regulations, 2010 CFR

2010-04-01

... damages. (7) Insurance on materials and supplies and on stores equipment. (8) Losses due to breakage... 18 Conservation of Power and Water Resources 1 2010-04-01 2010-04-01 false Account 163, Stores expense undistributed. 367.1630 Section 367.1630 Conservation of Power and Water Resources FEDERAL ENERGY...

Genome-wide association study for feed efficiency traits using SNP and haplotype models

USDA-ARS?s Scientific Manuscript database

Feed costs comprise the majority of variable expenses in beef cattle systems making feed efficiency an important economic consideration within the beef industry. Due to the expense of recording individual feed intake phenotypes, a genomic-enabled approach could be advantageous towards improving this...

41 CFR 302-16.2 - What are miscellaneous expenses?

Code of Federal Regulations, 2012 CFR

2012-07-01

... relocating that are not covered by other relocation benefits detailed in Chapter 302. (b) Expenses allowable... use taxes imposed when bringing vehicles into certain jurisdictions Transportation of pets The only... other house pets, as well as costs due to stringent air carrier rules. Other animals (horses, fish...

41 CFR 302-16.2 - What are miscellaneous expenses?

Code of Federal Regulations, 2014 CFR

2014-07-01

... relocating that are not covered by other relocation benefits detailed in chapter 302. (b) Expenses allowable... use taxes imposed when bringing vehicles into certain jurisdictions Transportation of pets The only... other house pets, as well as costs due to stringent air carrier rules. Other animals (horses, fish...

41 CFR 302-16.2 - What are miscellaneous expenses?

Code of Federal Regulations, 2013 CFR

2013-07-01

... relocating that are not covered by other relocation benefits detailed in Chapter 302. (b) Expenses allowable... use taxes imposed when bringing vehicles into certain jurisdictions Transportation of pets The only... other house pets, as well as costs due to stringent air carrier rules. Other animals (horses, fish...

Basic investigation of dual-energy x-ray absorptiometry for bone densitometry using computed radiography

NASA Astrophysics Data System (ADS)

Shimura, Kazuo; Nakajima, Nobuyoshi; Tanaka, Hiroshi; Ishida, Masamitsu; Kato, Hisatoyo

1993-09-01

Dual-energy X-ray absorptiometry (DXA) is one of the bone densitometry techniques to diagnose osteoporosis, and has been gradually getting popular due to its high degree of precision. However, DXA involves a time-consuming examination because of its pencil-beam scan, and the equipment is expensive. In this study, we examined a new bone densitometry technique (CR-DXA) utilizing an X-ray imaging system and Computed Radiography (CR) used for medical X-ray image diagnosis. High level of measurement precision and accuracy could be achieved by X-ray rube voltage/filter optimization and various nonuniformity corrections based on simulation and experiment. The phantom study using a bone mineral block showed precision of 0.83% c.v. (coefficient of variation), and accuracy of 0.01 g/cm2, suggesting that a practically equivalent degree of measurement precision and accuracy to that of the DXA approach is achieved. CR-DXA is considered to provide bone mineral densitometry to facilitate simple, quick and precise bone mineral density measurement.

Formation of algae growth constitutive relations for improved algae modeling.

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

Gharagozloo, Patricia E.; Drewry, Jessica Louise.

This SAND report summarizes research conducted as a part of a two year Laboratory Directed Research and Development (LDRD) project to improve our abilities to model algal cultivation. Algae-based biofuels have generated much excitement due to their potentially large oil yield from relatively small land use and without interfering with the food or water supply. Algae mitigate atmospheric CO2 through metabolism. Efficient production of algal biofuels could reduce dependence on foreign oil by providing a domestic renewable energy source. Important factors controlling algal productivity include temperature, nutrient concentrations, salinity, pH, and the light-to-biomass conversion rate. Computational models allow for inexpensivemore » predictions of algae growth kinetics in these non-ideal conditions for various bioreactor sizes and geometries without the need for multiple expensive measurement setups. However, these models need to be calibrated for each algal strain. In this work, we conduct a parametric study of key marine algae strains and apply the findings to a computational model.« less

Efficient Constant-Time Complexity Algorithm for Stochastic Simulation of Large Reaction Networks.

PubMed

Thanh, Vo Hong; Zunino, Roberto; Priami, Corrado

2017-01-01

Exact stochastic simulation is an indispensable tool for a quantitative study of biochemical reaction networks. The simulation realizes the time evolution of the model by randomly choosing a reaction to fire and update the system state according to a probability that is proportional to the reaction propensity. Two computationally expensive tasks in simulating large biochemical networks are the selection of next reaction firings and the update of reaction propensities due to state changes. We present in this work a new exact algorithm to optimize both of these simulation bottlenecks. Our algorithm employs the composition-rejection on the propensity bounds of reactions to select the next reaction firing. The selection of next reaction firings is independent of the number reactions while the update of propensities is skipped and performed only when necessary. It therefore provides a favorable scaling for the computational complexity in simulating large reaction networks. We benchmark our new algorithm with the state of the art algorithms available in literature to demonstrate its applicability and efficiency.

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

Fath, L., E-mail: lukas.fath@kit.edu; Hochbruck, M., E-mail: marlis.hochbruck@kit.edu; Singh, C.V., E-mail: chandraveer.singh@utoronto.ca

Classical integration methods for molecular dynamics are inherently limited due to resonance phenomena occurring at certain time-step sizes. The mollified impulse method can partially avoid this problem by using appropriate filters based on averaging or projection techniques. However, existing filters are computationally expensive and tedious in implementation since they require either analytical Hessians or they need to solve nonlinear systems from constraints. In this work we follow a different approach based on corotation for the construction of a new filter for (flexible) biomolecular simulations. The main advantages of the proposed filter are its excellent stability properties and ease of implementationmore » in standard softwares without Hessians or solving constraint systems. By simulating multiple realistic examples such as peptide, protein, ice equilibrium and ice–ice friction, the new filter is shown to speed up the computations of long-range interactions by approximately 20%. The proposed filtered integrators allow step sizes as large as 10 fs while keeping the energy drift less than 1% on a 50 ps simulation.« less

Advanced 3D Characterization and Reconstruction of Reactor Materials FY16 Final Report

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

Fromm, Bradley; Hauch, Benjamin; Sridharan, Kumar

2016-12-01

A coordinated effort to link advanced materials characterization methods and computational modeling approaches is critical to future success for understanding and predicting the behavior of reactor materials that operate at extreme conditions. The difficulty and expense of working with nuclear materials have inhibited the use of modern characterization techniques on this class of materials. Likewise, mesoscale simulation efforts have been impeded due to insufficient experimental data necessary for initialization and validation of the computer models. The objective of this research is to develop methods to integrate advanced materials characterization techniques developed for reactor materials with state-of-the-art mesoscale modeling and simulationmore » tools. Research to develop broad-ion beam sample preparation, high-resolution electron backscatter diffraction, and digital microstructure reconstruction techniques; and methods for integration of these techniques into mesoscale modeling tools are detailed. Results for both irradiated and un-irradiated reactor materials are presented for FY14 - FY16 and final remarks are provided.« less

Extending atomistic simulation timescale in solid/liquid systems: crystal growth from solution by a parallel-replica dynamics and continuum hybrid method.

PubMed

Lu, Chun-Yaung; Voter, Arthur F; Perez, Danny

2014-01-28

Deposition of solid material from solution is ubiquitous in nature. However, due to the inherent complexity of such systems, this process is comparatively much less understood than deposition from a gas or vacuum. Further, the accurate atomistic modeling of such systems is computationally expensive, therefore leaving many intriguing long-timescale phenomena out of reach. We present an atomistic/continuum hybrid method for extending the simulation timescales of dynamics at solid/liquid interfaces. We demonstrate the method by simulating the deposition of Ag on Ag (001) from solution with a significant speedup over standard MD. The results reveal specific features of diffusive deposition dynamics, such as a dramatic increase in the roughness of the film.

An asymptotically consistent approximant for the equatorial bending angle of light due to Kerr black holes

NASA Astrophysics Data System (ADS)

Barlow, Nathaniel S.; Weinstein, Steven J.; Faber, Joshua A.

2017-07-01

An accurate closed-form expression is provided to predict the bending angle of light as a function of impact parameter for equatorial orbits around Kerr black holes of arbitrary spin. This expression is constructed by assuring that the weak- and strong-deflection limits are explicitly satisfied while maintaining accuracy at intermediate values of impact parameter via the method of asymptotic approximants (Barlow et al 2017 Q. J. Mech. Appl. Math. 70 21-48). To this end, the strong deflection limit for a prograde orbit around an extremal black hole is examined, and the full non-vanishing asymptotic behavior is determined. The derived approximant may be an attractive alternative to computationally expensive elliptical integrals used in black hole simulations.

48 CFR 227.7103-6 - Contract clauses.

Code of Federal Regulations, 2011 CFR

2011-10-01

... expense). Do not use the clause when the only deliverable items are computer software or computer software... architect-engineer and construction contracts. (b)(1) Use the clause at 252.227-7013 with its Alternate I in... Software Previously Delivered to the Government, in solicitations when the resulting contract will require...

48 CFR 227.7103-6 - Contract clauses.

Code of Federal Regulations, 2012 CFR

2012-10-01

... expense). Do not use the clause when the only deliverable items are computer software or computer software... architect-engineer and construction contracts. (b)(1) Use the clause at 252.227-7013 with its Alternate I in... Software Previously Delivered to the Government, in solicitations when the resulting contract will require...

A COMPUTATIONALLY EFFICIENT HYBRID APPROACH FOR DYNAMIC GAS/AEROSOL TRANSFER IN AIR QUALITY MODELS. (R826371C005)

EPA Science Inventory

Dynamic mass transfer methods have been developed to better describe the interaction of the aerosol population with semi-volatile species such as nitrate, ammonia, and chloride. Unfortunately, these dynamic methods are computationally expensive. Assumptions are often made to r...

Looking At Display Technologies

ERIC Educational Resources Information Center

Bull, Glen; Bull, Gina

2005-01-01

A projection system in a classroom with an Internet connection provides a window on the world. Until recently, projectors were expensive and difficult to maintain. Technological advances have resulted in solid-state projectors that require little maintenance and cost no more than a computer. Adding a second or third computer to a classroom…

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.

Use of less expensive cigarettes in six cities in China: findings from the International Tobacco Control (ITC) China Survey

PubMed Central

Hyland, Andrew; Fong, Geoffrey T; Jiang, Yuan; Elton-Marshall, Tara

2010-01-01

Objective The existence of less expensive cigarettes in China may undermine public health. The aim of the current study is to examine the use of less expensive cigarettes in six cities in China. Methods Data was from the baseline wave of the International Tobacco Control (ITC) China Survey of 4815 adult urban smokers in 6 cities, conducted between April and August 2006. The percentage of smokers who reported buying less expensive cigarettes (the lowest pricing tertile within each city) at last purchase was computed. Complex sample multivariate logistic regression models were used to identify factors associated with use of less expensive cigarettes. The association between the use of less expensive cigarettes and intention to quit smoking was also examined. Results Smokers who reported buying less expensive cigarettes at last purchase tended to be older, heavier smokers, to have lower education and income, and to think more about the money spent on smoking in the last month. Smokers who bought less expensive cigarettes at the last purchase and who were less knowledgeable about the health harm of smoking were less likely to intend to quit smoking. Conclusions Measures need to be taken to minimise the price differential among cigarette brands and to increase smokers' health knowledge, which may in turn increase their intentions to quit. PMID:20935199

The Advantages of Using Technology in Second Language Education: Technology Integration in Foreign Language Teaching Demonstrates the Shift from a Behavioral to a Constructivist Learning Approach

ERIC Educational Resources Information Center

Wang, Li

2005-01-01

With the advent of networked computers and Internet technology, computer-based instruction has been widely used in language classrooms throughout the United States. Computer technologies have dramatically changed the way people gather information, conduct research and communicate with others worldwide. Considering the tremendous startup expenses,…

Evaluation of a grid based molecular dynamics approach for polypeptide simulations.

PubMed

Merelli, Ivan; Morra, Giulia; Milanesi, Luciano

2007-09-01

Molecular dynamics is very important for biomedical research because it makes possible simulation of the behavior of a biological macromolecule in silico. However, molecular dynamics is computationally rather expensive: the simulation of some nanoseconds of dynamics for a large macromolecule such as a protein takes very long time, due to the high number of operations that are needed for solving the Newton's equations in the case of a system of thousands of atoms. In order to obtain biologically significant data, it is desirable to use high-performance computation resources to perform these simulations. Recently, a distributed computing approach based on replacing a single long simulation with many independent short trajectories has been introduced, which in many cases provides valuable results. This study concerns the development of an infrastructure to run molecular dynamics simulations on a grid platform in a distributed way. The implemented software allows the parallel submission of different simulations that are singularly short but together bring important biological information. Moreover, each simulation is divided into a chain of jobs to avoid data loss in case of system failure and to contain the dimension of each data transfer from the grid. The results confirm that the distributed approach on grid computing is particularly suitable for molecular dynamics simulations thanks to the elevated scalability.

A New Biogeochemical Computational Framework Integrated within the Community Land Model

NASA Astrophysics Data System (ADS)

Fang, Y.; Li, H.; Liu, C.; Huang, M.; Leung, L.

2012-12-01

Terrestrial biogeochemical processes, particularly carbon cycle dynamics, have been shown to significantly influence regional and global climate changes. Modeling terrestrial biogeochemical processes within the land component of Earth System Models such as the Community Land model (CLM), however, faces three major challenges: 1) extensive efforts in modifying modeling structures and rewriting computer programs to incorporate biogeochemical processes with increasing complexity, 2) expensive computational cost to solve the governing equations due to numerical stiffness inherited from large variations in the rates of biogeochemical processes, and 3) lack of an efficient framework to systematically evaluate various mathematical representations of biogeochemical processes. To address these challenges, we introduce a new computational framework to incorporate biogeochemical processes into CLM, which consists of a new biogeochemical module with a generic algorithm and reaction database. New and updated biogeochemical processes can be incorporated into CLM without significant code modification. To address the stiffness issue, algorithms and criteria will be developed to identify fast processes, which will be replaced with algebraic equations and decoupled from slow processes. This framework can serve as a generic and user-friendly platform to test out different mechanistic process representations and datasets and gain new insight on the behavior of the terrestrial ecosystems in response to climate change in a systematic way.

Efficient Monte Carlo Estimation of the Expected Value of Sample Information Using Moment Matching.

PubMed

Heath, Anna; Manolopoulou, Ioanna; Baio, Gianluca

2018-02-01

The Expected Value of Sample Information (EVSI) is used to calculate the economic value of a new research strategy. Although this value would be important to both researchers and funders, there are very few practical applications of the EVSI. This is due to computational difficulties associated with calculating the EVSI in practical health economic models using nested simulations. We present an approximation method for the EVSI that is framed in a Bayesian setting and is based on estimating the distribution of the posterior mean of the incremental net benefit across all possible future samples, known as the distribution of the preposterior mean. Specifically, this distribution is estimated using moment matching coupled with simulations that are available for probabilistic sensitivity analysis, which is typically mandatory in health economic evaluations. This novel approximation method is applied to a health economic model that has previously been used to assess the performance of other EVSI estimators and accurately estimates the EVSI. The computational time for this method is competitive with other methods. We have developed a new calculation method for the EVSI which is computationally efficient and accurate. This novel method relies on some additional simulation so can be expensive in models with a large computational cost.

Use of Hilbert Curves in Parallelized CUDA code: Interaction of Interstellar Atoms with the Heliosphere

NASA Astrophysics Data System (ADS)

Destefano, Anthony; Heerikhuisen, Jacob

2015-04-01

Fully 3D particle simulations can be a computationally and memory expensive task, especially when high resolution grid cells are required. The problem becomes further complicated when parallelization is needed. In this work we focus on computational methods to solve these difficulties. Hilbert curves are used to map the 3D particle space to the 1D contiguous memory space. This method of organization allows for minimized cache misses on the GPU as well as a sorted structure that is equivalent to an octal tree data structure. This type of sorted structure is attractive for uses in adaptive mesh implementations due to the logarithm search time. Implementations using the Message Passing Interface (MPI) library and NVIDIA's parallel computing platform CUDA will be compared, as MPI is commonly used on server nodes with many CPU's. We will also compare static grid structures with those of adaptive mesh structures. The physical test bed will be simulating heavy interstellar atoms interacting with a background plasma, the heliosphere, simulated from fully consistent coupled MHD/kinetic particle code. It is known that charge exchange is an important factor in space plasmas, specifically it modifies the structure of the heliosphere itself. We would like to thank the Alabama Supercomputer Authority for the use of their computational resources.

Cloud computing can simplify HIT infrastructure management.

PubMed

Glaser, John

2011-08-01

Software as a Service (SaaS), built on cloud computing technology, is emerging as the forerunner in IT infrastructure because it helps healthcare providers reduce capital investments. Cloud computing leads to predictable, monthly, fixed operating expenses for hospital IT staff. Outsourced cloud computing facilities are state-of-the-art data centers boasting some of the most sophisticated networking equipment on the market. The SaaS model helps hospitals safeguard against technology obsolescence, minimizes maintenance requirements, and simplifies management.

Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

PubMed Central

Yamashita, Takefumi; Peng, Yuxing; Knight, Chris; Voth, Gregory A.

2012-01-01

It is a computationally demanding task to explicitly simulate the electronic degrees of freedom in a system to observe the chemical transformations of interest, while at the same time sampling the time and length scales required to converge statistical properties and thus reduce artifacts due to initial conditions, finite-size effects, and limited sampling. One solution that significantly reduces the computational expense consists of molecular models in which effective interactions between particles govern the dynamics of the system. If the interaction potentials in these models are developed to reproduce calculated properties from electronic structure calculations and/or ab initio molecular dynamics simulations, then one can calculate accurate properties at a fraction of the computational cost. Multiconfigurational algorithms model the system as a linear combination of several chemical bonding topologies to simulate chemical reactions, also sometimes referred to as “multistate”. These algorithms typically utilize energy and force calculations already found in popular molecular dynamics software packages, thus facilitating their implementation without significant changes to the structure of the code. However, the evaluation of energies and forces for several bonding topologies per simulation step can lead to poor computational efficiency if redundancy is not efficiently removed, particularly with respect to the calculation of long-ranged Coulombic interactions. This paper presents accurate approximations (effective long-range interaction and resulting hybrid methods) and multiple-program parallelization strategies for the efficient calculation of electrostatic interactions in reactive molecular simulations. PMID:25100924

An efficient hybrid pseudospectral/finite-difference scheme for solving the TTI pure P-wave equation

NASA Astrophysics Data System (ADS)

Zhan, Ge; Pestana, Reynam C.; Stoffa, Paul L.

2013-04-01

The pure P-wave equation for modelling and migration in tilted transversely isotropic (TTI) media has attracted more and more attention in imaging seismic data with anisotropy. The desirable feature is that it is absolutely free of shear-wave artefacts and the consequent alleviation of numerical instabilities generally suffered by some systems of coupled equations. However, due to several forward-backward Fourier transforms in wavefield updating at each time step, the computational cost is significant, and thereby hampers its prevalence. We propose to use a hybrid pseudospectral (PS) and finite-difference (FD) scheme to solve the pure P-wave equation. In the hybrid solution, most of the cost-consuming wavenumber terms in the equation are replaced by inexpensive FD operators, which in turn accelerates the computation and reduces the computational cost. To demonstrate the benefit in cost saving of the new scheme, 2D and 3D reverse-time migration (RTM) examples using the hybrid solution to the pure P-wave equation are carried out, and respective runtimes are listed and compared. Numerical results show that the hybrid strategy demands less computation time and is faster than using the PS method alone. Furthermore, this new TTI RTM algorithm with the hybrid method is computationally less expensive than that with the FD solution to conventional TTI coupled equations.

Creation of a Rapid High-Fidelity Aerodynamics Module for a Multidisciplinary Design Environment

NASA Technical Reports Server (NTRS)

Srinivasan, Muktha; Whittecar, William; Edwards, Stephen; Mavris, Dimitri N.

2012-01-01

In the traditional aerospace vehicle design process, each successive design phase is accompanied by an increment in the modeling fidelity of the disciplinary analyses being performed. This trend follows a corresponding shrinking of the design space as more and more design decisions are locked in. The correlated increase in knowledge about the design and decrease in design freedom occurs partly because increases in modeling fidelity are usually accompanied by significant increases in the computational expense of performing the analyses. When running high fidelity analyses, it is not usually feasible to explore a large number of variations, and so design space exploration is reserved for conceptual design, and higher fidelity analyses are run only once a specific point design has been selected to carry forward. The designs produced by this traditional process have been recognized as being limited by the uncertainty that is present early on due to the use of lower fidelity analyses. For example, uncertainty in aerodynamics predictions produces uncertainty in trajectory optimization, which can impact overall vehicle sizing. This effect can become more significant when trajectories are being shaped by active constraints. For example, if an optimal trajectory is running up against a normal load factor constraint, inaccuracies in the aerodynamic coefficient predictions can cause a feasible trajectory to be considered infeasible, or vice versa. For this reason, a trade must always be performed between the desired fidelity and the resources available. Apart from this trade between fidelity and computational expense, it is very desirable to use higher fidelity analyses earlier in the design process. A large body of work has been performed to this end, led by efforts in the area of surrogate modeling. In surrogate modeling, an up-front investment is made by running a high fidelity code over a Design of Experiments (DOE); once completed, the DOE data is used to create a surrogate model, which captures the relationships between input variables and responses into regression equations. Depending on the dimensionality of the problem and the fidelity of the code for which a surrogate model is being created, the initial DOE can itself be computationally prohibitive to run. Cokriging, a modeling approach from the field of geostatistics, provides a desirable compromise between computational expense and fidelity. To do this, cokriging leverages a large body of data generated by a low fidelity analysis, combines it with a smaller set of data from a higher fidelity analysis, and creates a kriging surrogate model with prediction fidelity approaching that of the higher fidelity analysis. When integrated into a multidisciplinary environment, a disciplinary analysis module employing cokriging can raise the analysis fidelity without drastically impacting the expense of design iterations. This is demonstrated through the creation of an aerodynamics analysis module in NASA s OpenMDAO framework. Aerodynamic analyses including Missile DATCOM, APAS, and USM3D are leveraged to create high fidelity aerodynamics decks for parametric vehicle geometries, which are created in NASA s Vehicle Sketch Pad (VSP). Several trade studies are performed to examine the achieved level of model fidelity, and the overall impact to vehicle design is quantified.

A simple grid implementation with Berkeley Open Infrastructure for Network Computing using BLAST as a model

PubMed Central

Pinthong, Watthanai; Muangruen, Panya

2016-01-01

Development of high-throughput technologies, such as Next-generation sequencing, allows thousands of experiments to be performed simultaneously while reducing resource requirement. Consequently, a massive amount of experiment data is now rapidly generated. Nevertheless, the data are not readily usable or meaningful until they are further analysed and interpreted. Due to the size of the data, a high performance computer (HPC) is required for the analysis and interpretation. However, the HPC is expensive and difficult to access. Other means were developed to allow researchers to acquire the power of HPC without a need to purchase and maintain one such as cloud computing services and grid computing system. In this study, we implemented grid computing in a computer training center environment using Berkeley Open Infrastructure for Network Computing (BOINC) as a job distributor and data manager combining all desktop computers to virtualize the HPC. Fifty desktop computers were used for setting up a grid system during the off-hours. In order to test the performance of the grid system, we adapted the Basic Local Alignment Search Tools (BLAST) to the BOINC system. Sequencing results from Illumina platform were aligned to the human genome database by BLAST on the grid system. The result and processing time were compared to those from a single desktop computer and HPC. The estimated durations of BLAST analysis for 4 million sequence reads on a desktop PC, HPC and the grid system were 568, 24 and 5 days, respectively. Thus, the grid implementation of BLAST by BOINC is an efficient alternative to the HPC for sequence alignment. The grid implementation by BOINC also helped tap unused computing resources during the off-hours and could be easily modified for other available bioinformatics software. PMID:27547555

Group Velocity Dispersion Curves from Wigner-Ville Distributions

NASA Astrophysics Data System (ADS)

Lloyd, Simon; Bokelmann, Goetz; Sucic, Victor

2013-04-01

With the widespread adoption of ambient noise tomography, and the increasing number of local earthquakes recorded worldwide due to dense seismic networks and many very dense temporary experiments, we consider it worthwhile to evaluate alternative Methods to measure surface wave group velocity dispersions curves. Moreover, the increased computing power of even a simple desktop computer makes it feasible to routinely use methods other than the typically employed multiple filtering technique (MFT). To that end we perform tests with synthetic and observed seismograms using the Wigner-Ville distribution (WVD) frequency time analysis, and compare dispersion curves measured with WVD and MFT with each other. Initial results suggest WVD to be at least as good as MFT at measuring dispersion, albeit at a greater computational expense. We therefore need to investigate if, and under which circumstances, WVD yields better dispersion curves than MFT, before considering routinely applying the method. As both MFT and WVD generally work well for teleseismic events and at longer periods, we explore how well the WVD method performs at shorter periods and for local events with smaller epicentral distances. Such dispersion information could potentially be beneficial for improving velocity structure resolution within the crust.

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

Kadoura, Ahmad, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Sun, Shuyu, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Siripatana, Adil, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa

In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercriticalmore » isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH{sub 4}, N{sub 2}, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO{sub 2} and C{sub 2} H{sub 6}.« less

Nanoinformatics knowledge infrastructures: bringing efficient information management to nanomedical research.

PubMed

de la Iglesia, D; Cachau, R E; García-Remesal, M; Maojo, V

2013-11-27

Nanotechnology represents an area of particular promise and significant opportunity across multiple scientific disciplines. Ongoing nanotechnology research ranges from the characterization of nanoparticles and nanomaterials to the analysis and processing of experimental data seeking correlations between nanoparticles and their functionalities and side effects. Due to their special properties, nanoparticles are suitable for cellular-level diagnostics and therapy, offering numerous applications in medicine, e.g. development of biomedical devices, tissue repair, drug delivery systems and biosensors. In nanomedicine, recent studies are producing large amounts of structural and property data, highlighting the role for computational approaches in information management. While in vitro and in vivo assays are expensive, the cost of computing is falling. Furthermore, improvements in the accuracy of computational methods (e.g. data mining, knowledge discovery, modeling and simulation) have enabled effective tools to automate the extraction, management and storage of these vast data volumes. Since this information is widely distributed, one major issue is how to locate and access data where it resides (which also poses data-sharing limitations). The novel discipline of nanoinformatics addresses the information challenges related to nanotechnology research. In this paper, we summarize the needs and challenges in the field and present an overview of extant initiatives and efforts.

Launch of the I13-2 data beamline at the Diamond Light Source synchrotron

NASA Astrophysics Data System (ADS)

Bodey, A. J.; Rau, C.

2017-06-01

Users of the Diamond-Manchester Imaging Branchline I13-2 commonly spend many months analysing the large volumes of tomographic data generated in a single beamtime. This is due to the difficulties inherent in performing complicated, computationally-expensive analyses on large datasets with workstations of limited computing power. To improve productivity, a ‘data beamline’ was launched in January 2016. Users are scheduled for visits to the data beamline in the same way as for regular beamlines, with bookings made via the User Administration System and provision of financial support for travel and subsistence. Two high-performance graphics workstations were acquired, with sufficient RAM to enable simultaneous analysis of several tomographic volumes. Users are given high priority on Diamond’s central computing cluster for the duration of their visit, and if necessary, archived data are restored to a high-performance disk array. Within the first six months of operation, thirteen user visits were made, lasting an average of 4.5 days each. The I13-2 data beamline was the first to be launched at Diamond Light Source and, to the authors’ knowledge, the first to be formalised in this way at any synchrotron.

A comparison of artificial compressibility and fractional step methods for incompressible flow computations

NASA Technical Reports Server (NTRS)

Chan, Daniel C.; Darian, Armen; Sindir, Munir

1992-01-01

We have applied and compared the efficiency and accuracy of two commonly used numerical methods for the solution of Navier-Stokes equations. The artificial compressibility method augments the continuity equation with a transient pressure term and allows one to solve the modified equations as a coupled system. Due to its implicit nature, one can have the luxury of taking a large temporal integration step at the expense of higher memory requirement and larger operation counts per step. Meanwhile, the fractional step method splits the Navier-Stokes equations into a sequence of differential operators and integrates them in multiple steps. The memory requirement and operation count per time step are low, however, the restriction on the size of time marching step is more severe. To explore the strengths and weaknesses of these two methods, we used them for the computation of a two-dimensional driven cavity flow with Reynolds number of 100 and 1000, respectively. Three grid sizes, 41 x 41, 81 x 81, and 161 x 161 were used. The computations were considered after the L2-norm of the change of the dependent variables in two consecutive time steps has fallen below 10(exp -5).

Nanoinformatics knowledge infrastructures: bringing efficient information management to nanomedical research

NASA Astrophysics Data System (ADS)

de la Iglesia, D.; Cachau, R. E.; García-Remesal, M.; Maojo, V.

2013-01-01

Nanotechnology represents an area of particular promise and significant opportunity across multiple scientific disciplines. Ongoing nanotechnology research ranges from the characterization of nanoparticles and nanomaterials to the analysis and processing of experimental data seeking correlations between nanoparticles and their functionalities and side effects. Due to their special properties, nanoparticles are suitable for cellular-level diagnostics and therapy, offering numerous applications in medicine, e.g. development of biomedical devices, tissue repair, drug delivery systems and biosensors. In nanomedicine, recent studies are producing large amounts of structural and property data, highlighting the role for computational approaches in information management. While in vitro and in vivo assays are expensive, the cost of computing is falling. Furthermore, improvements in the accuracy of computational methods (e.g. data mining, knowledge discovery, modeling and simulation) have enabled effective tools to automate the extraction, management and storage of these vast data volumes. Since this information is widely distributed, one major issue is how to locate and access data where it resides (which also poses data-sharing limitations). The novel discipline of nanoinformatics addresses the information challenges related to nanotechnology research. In this paper, we summarize the needs and challenges in the field and present an overview of extant initiatives and efforts.

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

Krityakierne, Tipaluck; Akhtar, Taimoor; Shoemaker, Christine A.

This paper presents a parallel surrogate-based global optimization method for computationally expensive objective functions that is more effective for larger numbers of processors. To reach this goal, we integrated concepts from multi-objective optimization and tabu search into, single objective, surrogate optimization. Our proposed derivative-free algorithm, called SOP, uses non-dominated sorting of points for which the expensive function has been previously evaluated. The two objectives are the expensive function value of the point and the minimum distance of the point to previously evaluated points. Based on the results of non-dominated sorting, P points from the sorted fronts are selected as centersmore » from which many candidate points are generated by random perturbations. Based on surrogate approximation, the best candidate point is subsequently selected for expensive evaluation for each of the P centers, with simultaneous computation on P processors. Centers that previously did not generate good solutions are tabu with a given tenure. We show almost sure convergence of this algorithm under some conditions. The performance of SOP is compared with two RBF based methods. The test results show that SOP is an efficient method that can reduce time required to find a good near optimal solution. In a number of cases the efficiency of SOP is so good that SOP with 8 processors found an accurate answer in less wall-clock time than the other algorithms did with 32 processors.« less

Computational investigations and grid refinement study of 3D transient flow in a cylindrical tank using OpenFOAM

NASA Astrophysics Data System (ADS)

Mohd Sakri, F.; Mat Ali, M. S.; Sheikh Salim, S. A. Z.

2016-10-01

The study of physic fluid for a liquid draining inside a tank is easily accessible using numerical simulation. However, numerical simulation is expensive when the liquid draining involves the multi-phase problem. Since an accurate numerical simulation can be obtained if a proper method for error estimation is accomplished, this paper provides systematic assessment of error estimation due to grid convergence error using OpenFOAM. OpenFOAM is an open source CFD-toolbox and it is well-known among the researchers and institutions because of its free applications and ready to use. In this study, three types of grid resolution are used: coarse, medium and fine grids. Grid Convergence Index (GCI) is applied to estimate the error due to the grid sensitivity. A monotonic convergence condition is obtained in this study that shows the grid convergence error has been progressively reduced. The fine grid has the GCI value below 1%. The extrapolated value from Richardson Extrapolation is in the range of the GCI obtained.

A multi-approach feature extractions for iris recognition

NASA Astrophysics Data System (ADS)

Sanpachai, H.; Settapong, M.

2014-04-01

Biometrics is a promising technique that is used to identify individual traits and characteristics. Iris recognition is one of the most reliable biometric methods. As iris texture and color is fully developed within a year of birth, it remains unchanged throughout a person's life. Contrary to fingerprint, which can be altered due to several aspects including accidental damage, dry or oily skin and dust. Although iris recognition has been studied for more than a decade, there are limited commercial products available due to its arduous requirement such as camera resolution, hardware size, expensive equipment and computational complexity. However, at the present time, technology has overcome these obstacles. Iris recognition can be done through several sequential steps which include pre-processing, features extractions, post-processing, and matching stage. In this paper, we adopted the directional high-low pass filter for feature extraction. A box-counting fractal dimension and Iris code have been proposed as feature representations. Our approach has been tested on CASIA Iris Image database and the results are considered successful.

Superintendents' Perceptions of 1:1 Initiative Implementation and Sustainability

ERIC Educational Resources Information Center

Cole, Bobby Virgil, Jr.; Sauers, Nicholas J.

2018-01-01

One of the fastest growing, most discussed, and most expensive technology initiatives over the last decade has been one-to-one (1:1) computing initiatives. The purpose of this study was to examine key factors that influenced implementing and sustaining 1:1 computing initiatives from the perspective of school superintendents. Nine superintendents…

Data Bases at a State Institution--Costs, Uses and Needs. AIR Forum Paper 1978.

ERIC Educational Resources Information Center

McLaughlin, Gerald W.

The cost-benefit of administrative data at a state college is placed in perspective relative to the institutional involvement in computer use. The costs of computer operations, personnel, and peripheral equipment expenses related to instruction are analyzed. Data bases and systems support institutional activities, such as registration, and aid…

Film Library Information Management System.

ERIC Educational Resources Information Center

Minnella, C. Vincent; And Others

The computer program described not only allows the user to determine rental sources for a particular film title quickly, but also to select the least expensive of the sources. This program developed at SUNY Cortland's Sperry Learning Resources Center and Computer Center is designed to maintain accurate data on rental and purchase films in both…

Data Structures for Extreme Scale Computing

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

Kahan, Simon

As computing problems of national importance grow, the government meets the increased demand by funding the development of ever larger systems. The overarching goal of the work supported in part by this grant is to increase efficiency of programming and performing computations on these large computing systems. In past work, we have demonstrated that some of these computations once thought to require expensive hardware designs and/or complex, special-purpose programming may be executed efficiently on low-cost commodity cluster computing systems using a general-purpose “latency-tolerant” programming framework. One important developed application of the ideas underlying this framework is graph database technology supportingmore » social network pattern matching used by US intelligence agencies to more quickly identify potential terrorist threats. This database application has been spun out by the Pacific Northwest National Laboratory, a Department of Energy Laboratory, into a commercial start-up, Trovares Inc. We explore an alternative application of the same underlying ideas to a well-studied challenge arising in engineering: solving unstructured sparse linear equations. Solving these equations is key to predicting the behavior of large electronic circuits before they are fabricated. Predicting that behavior ahead of fabrication means that designs can optimized and errors corrected ahead of the expense of manufacture.« less

The Financial Impact of the ‘Zero-Markup Policy for Essential Drugs’ on Patients in County Hospitals in Western Rural China

PubMed Central

Zhou, Zhongliang; Su, Yanfang; Campbell, Benjamin; Zhou, Zhiying; Gao, Jianmin; Yu, Qiang; Chen, Jiuhao; Pan, Yishan

2015-01-01

Objective With a quasi-experimental design, this study aims to assess whether the Zero-markup Policy for Essential Drugs (ZPED) reduces the medical expense for patients at county hospitals, the major healthcare provider in rural China. Methods Data from Ningshan county hospital and Zhenping county hospital, China, include 2014 outpatient records and 9239 inpatient records. Quantitative methods are employed to evaluate ZPED. Both hospital-data difference-in-differences and individual-data regressions are applied to analyze the data from inpatient and outpatient departments. Results In absolute terms, the total expense per visit reduced by 19.02 CNY (3.12 USD) for outpatient services and 399.6 CNY (65.60 USD) for inpatient services. In relative terms, the expense per visit was reduced by 11% for both outpatient and inpatient services. Due to the reduction of inpatient expense, the estimated reduction of outpatient visits is 2% among the general population and 3.39% among users of outpatient services. The drug expense per visit dropped by 27.20 CNY (4.47 USD) for outpatient services and 278.7 CNY (45.75 USD) for inpatient services. The proportion of drug expense out of total expense per visit dropped by 11.73 percentage points in outpatient visits and by 3.92 percentage points in inpatient visits. Conclusion Implementation of ZPED is a benefit for patients in both absolute and relative terms. The absolute monetary reduction of the per-visit inpatient expense is 20 times of that in outpatient care. According to cross-price elasticity, the substitution between inpatient and outpatient due to the change in inpatient price is small. Furthermore, given that the relative reductions are the same for outpatient and inpatient visits, according to relative thinking theory, the incentive to utilize outpatient or inpatient care attributed to ZPED is equivalent, regardless of the 20-times price difference in absolute terms. PMID:25790443

Financial Burden Faced by Families due to Out-of-pocket Expenses during the Treatment of their Cancer Children: An Indian Perspective.

PubMed

Sneha, Latha M; Sai, Jeyanth; Ashwini, S; Ramaswamy, Sunitha; Rajan, Mahalakshmi; Scott, Julius X

2017-01-01

Life-saving cancer therapy is costly and may result in financial burden for these families. Financial costs for treating childhood cancer care are traditionally assessed based on the amount spent for diagnostic tests, hospitalization, and chemotherapy. The financial costs for travel, accommodation, out-of-pocket expenses for food, phone bills, and loss of income due to reduction or termination of parental employment are hidden nonmedical expenses that are rarely accounted for. Studies on the financial implications of pediatric cancer treatment are based on the Western model of healthcare with good government/state insurance coverage and hence literature on lifestyle implications for families in developing nations with limited resources is still scarce. The aim of this study is to find out the details of out-of-pocket expenses incurred by the families during their treatment of cancer children and its implications on their quality of life. Settings and Design: This study was conducted in a tertiary care center for pediatric malignancies for over 1-year period. About seventy families whose children were diagnosed with acute leukemia and undergoing treatment at our center were asked to fill a questionnaire detailing their out-of-pocket expenses. Nonmedical expenses accounts for about 46% of their monthly household income of parents from rural areas and 22% of their household income from urban areas. On an average, a family from rural area spends four times the normal amount spent on home for their daily food expenditure. Thirty-eight percent of families have borrowed money from money lenders with an average interest rate of about 12.5% which pushes them to a state of debt for the next few years. Out-of-pocket expenses contribute a significant proportion to the financial burden of the families with childhood malignancies and these invisible expenses should be recognized and provide adequate support to lessen the burden of this economic impact.

The financial impact of the 'zero-markup policy for essential drugs' on patients in county hospitals in western rural China.

PubMed

Zhou, Zhongliang; Su, Yanfang; Campbell, Benjamin; Zhou, Zhiying; Gao, Jianmin; Yu, Qiang; Chen, Jiuhao; Pan, Yishan

2015-01-01

With a quasi-experimental design, this study aims to assess whether the Zero-markup Policy for Essential Drugs (ZPED) reduces the medical expense for patients at county hospitals, the major healthcare provider in rural China. Data from Ningshan county hospital and Zhenping county hospital, China, include 2014 outpatient records and 9239 inpatient records. Quantitative methods are employed to evaluate ZPED. Both hospital-data difference-in-differences and individual-data regressions are applied to analyze the data from inpatient and outpatient departments. In absolute terms, the total expense per visit reduced by 19.02 CNY (3.12 USD) for outpatient services and 399.6 CNY (65.60 USD) for inpatient services. In relative terms, the expense per visit was reduced by 11% for both outpatient and inpatient services. Due to the reduction of inpatient expense, the estimated reduction of outpatient visits is 2% among the general population and 3.39% among users of outpatient services. The drug expense per visit dropped by 27.20 CNY (4.47 USD) for outpatient services and 278.7 CNY (45.75 USD) for inpatient services. The proportion of drug expense out of total expense per visit dropped by 11.73 percentage points in outpatient visits and by 3.92 percentage points in inpatient visits. Implementation of ZPED is a benefit for patients in both absolute and relative terms. The absolute monetary reduction of the per-visit inpatient expense is 20 times of that in outpatient care. According to cross-price elasticity, the substitution between inpatient and outpatient due to the change in inpatient price is small. Furthermore, given that the relative reductions are the same for outpatient and inpatient visits, according to relative thinking theory, the incentive to utilize outpatient or inpatient care attributed to ZPED is equivalent, regardless of the 20-times price difference in absolute terms.

Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations

NASA Astrophysics Data System (ADS)

Sagui, Celeste; Pedersen, Lee G.; Darden, Thomas A.

2004-01-01

The accurate simulation of biologically active macromolecules faces serious limitations that originate in the treatment of electrostatics in the empirical force fields. The current use of "partial charges" is a significant source of errors, since these vary widely with different conformations. By contrast, the molecular electrostatic potential (MEP) obtained through the use of a distributed multipole moment description, has been shown to converge to the quantum MEP outside the van der Waals surface, when higher order multipoles are used. However, in spite of the considerable improvement to the representation of the electronic cloud, higher order multipoles are not part of current classical biomolecular force fields due to the excessive computational cost. In this paper we present an efficient formalism for the treatment of higher order multipoles in Cartesian tensor formalism. The Ewald "direct sum" is evaluated through a McMurchie-Davidson formalism [L. McMurchie and E. Davidson, J. Comput. Phys. 26, 218 (1978)]. The "reciprocal sum" has been implemented in three different ways: using an Ewald scheme, a particle mesh Ewald (PME) method, and a multigrid-based approach. We find that even though the use of the McMurchie-Davidson formalism considerably reduces the cost of the calculation with respect to the standard matrix implementation of multipole interactions, the calculation in direct space remains expensive. When most of the calculation is moved to reciprocal space via the PME method, the cost of a calculation where all multipolar interactions (up to hexadecapole-hexadecapole) are included is only about 8.5 times more expensive than a regular AMBER 7 [D. A. Pearlman et al., Comput. Phys. Commun. 91, 1 (1995)] implementation with only charge-charge interactions. The multigrid implementation is slower but shows very promising results for parallelization. It provides a natural way to interface with continuous, Gaussian-based electrostatics in the future. It is hoped that this new formalism will facilitate the systematic implementation of higher order multipoles in classical biomolecular force fields.

Practice expenses in the MFS (Medicare fee schedule): the service-class approach.

PubMed

Latimer, E A; Kane, N M

1995-01-01

The practice expense component of the Medicare fee schedule (MFS), which is currently based on historical charges and rewards physician procedures at the expense of cognitive services, is due to be changed by January 1, 1998. The Physician Payment Review Commission (PPRC) and others have proposed microcosting direct costs and allocating all indirect costs on a common basis, such as physician time or work plus direct costs. Without altering the treatment of direct costs, the service-class approach disaggregates indirect costs into six practice function costs. The practice function costs are then allocated to classes of services using cost-accounting and statistical methods. This approach would make the practice expense component more resource-based than other proposed alternatives.

Numerical prediction of the energy efficiency of the three-dimensional fish school using the discretized Adomian decomposition method

NASA Astrophysics Data System (ADS)

Lin, Yinwei

2018-06-01

A three-dimensional modeling of fish school performed by a modified Adomian decomposition method (ADM) discretized by the finite difference method is proposed. To our knowledge, few studies of the fish school are documented due to expensive cost of numerical computing and tedious three-dimensional data analysis. Here, we propose a simple model replied on the Adomian decomposition method to estimate the efficiency of energy saving of the flow motion of the fish school. First, the analytic solutions of Navier-Stokes equations are used for numerical validation. The influences of the distance between the side-by-side two fishes are studied on the energy efficiency of the fish school. In addition, the complete error analysis for this method is presented.

Correlation energy extrapolation by many-body expansion

DOE PAGES

Boschen, Jeffery S.; Theis, Daniel; Ruedenberg, Klaus; ...

2017-01-09

Accounting for electron correlation is required for high accuracy calculations of molecular energies. The full configuration interaction (CI) approach can fully capture the electron correlation within a given basis, but it does so at a computational expense that is impractical for all but the smallest chemical systems. In this work, a new methodology is presented to approximate configuration interaction calculations at a reduced computational expense and memory requirement, namely, the correlation energy extrapolation by many-body expansion (CEEMBE). This method combines a MBE approximation of the CI energy with an extrapolated correction obtained from CI calculations using subsets of the virtualmore » orbitals. The extrapolation approach is inspired by, and analogous to, the method of correlation energy extrapolation by intrinsic scaling. Benchmark calculations of the new method are performed on diatomic fluorine and ozone. Finally, the method consistently achieves agreement with CI calculations to within a few mhartree and often achieves agreement to within ~1 millihartree or less, while requiring significantly less computational resources.« less

Correlation energy extrapolation by many-body expansion

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

Boschen, Jeffery S.; Theis, Daniel; Ruedenberg, Klaus

Accounting for electron correlation is required for high accuracy calculations of molecular energies. The full configuration interaction (CI) approach can fully capture the electron correlation within a given basis, but it does so at a computational expense that is impractical for all but the smallest chemical systems. In this work, a new methodology is presented to approximate configuration interaction calculations at a reduced computational expense and memory requirement, namely, the correlation energy extrapolation by many-body expansion (CEEMBE). This method combines a MBE approximation of the CI energy with an extrapolated correction obtained from CI calculations using subsets of the virtualmore » orbitals. The extrapolation approach is inspired by, and analogous to, the method of correlation energy extrapolation by intrinsic scaling. Benchmark calculations of the new method are performed on diatomic fluorine and ozone. Finally, the method consistently achieves agreement with CI calculations to within a few mhartree and often achieves agreement to within ~1 millihartree or less, while requiring significantly less computational resources.« less

45 CFR 2507.5 - How does the Corporation process requests for records?

Code of Federal Regulations, 2013 CFR

2013-10-01

... compelled to create new records or do statistical computations. For example, the Corporation is not required... feasible way to respond to a request. The Corporation is not required to perform any research for the... duplicating all of them. For example, if it requires less time and expense to provide a computer record as a...

26 CFR 1.179-5 - Time and manner of making election.

Code of Federal Regulations, 2010 CFR

2010-04-01

... desktop computer costing $1,500. On Taxpayer's 2003 Federal tax return filed on April 15, 2004, Taxpayer elected to expense under section 179 the full cost of the laptop computer and the full cost of the desktop... provided by the Internal Revenue Code, the regulations under the Code, or other guidance published in the...

Innovative Leaders Take the Phone and Run: Profiles of Four Trailblazing Programs

ERIC Educational Resources Information Center

Norris, Cathleen; Soloway, Elliot; Menchhofer, Kyle; Bauman, Billie Diane; Dickerson, Mindy; Schad, Lenny; Tomko, Sue

2010-01-01

While the Internet changed everything, mobile will change everything squared. The Internet is just a roadway, and computers--the equivalent of cars for the Internet--have been expensive. The keepers of the information roadway--the telecommunication companies--will give one a "computer," such as cell phone, mobile learning device, or MLD,…

75 FR 25161 - Defense Federal Acquisition Regulation Supplement; Presumption of Development at Private Expense

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-07

... asserted restrictions on technical data and computer software. DATES: Comments on the proposed rule should... restrictions on technical data and computer software. More specifically, the proposed rule affects these...) items (as defined at 41 U.S.C. 431(c)). Since COTS items are a subtype of commercial items, this change...

17 CFR 240.17a-3 - Records to be made by certain exchange members, brokers and dealers.

Code of Federal Regulations, 2011 CFR

2011-04-01

... records) reflecting all assets and liabilities, income and expense and capital accounts. (3) Ledger..., and a record of the computation of aggregate indebtedness and net capital, as of the trial balance...) thereof shall make a record of the computation of aggregate indebtedness and net capital as of the trial...

Application of Sequence Comparison Methods to Multisensor Data Fusion and Target Recognition

DTIC Science & Technology

1993-06-18

lin- ear comparison). A particularly attractive aspect of the proposed fusion scheme is that it has the potential to work for any object with (1...radar sensing is a historical custom - however, the reader should keep in mind that the fundamental issue in this research is to explore and exploit...reduce the computationally expensive need to compute partial derivatives. In usual practice, the computationally more attractive filter design is

20 CFR 10.802 - How should an employee prepare and submit requests for reimbursement for medical expenses...

Code of Federal Regulations, 2010 CFR

2010-04-01

... expenses? 10.802 Section 10.802 Employees' Benefits OFFICE OF WORKERS' COMPENSATION PROGRAMS, DEPARTMENT OF... services, supplies or appliances due to an injury sustained in the performance of duty, he or she may... medical report as provided in § 10.800, to OWCP for consideration. (1) The provider of such service shall...

7 CFR 3560.102 - Housing project management.

Code of Federal Regulations, 2011 CFR

2011-01-01

..., unless the machine becomes the property of the project after purchase. (iii) Determining if Expenses are... computer learning center activities benefiting tenants are not covered in this prohibition. (viii) It is...

7 CFR 3560.102 - Housing project management.

Code of Federal Regulations, 2013 CFR

2013-01-01

..., unless the machine becomes the property of the project after purchase. (iii) Determining if Expenses are... computer learning center activities benefiting tenants are not covered in this prohibition. (viii) It is...

7 CFR 3560.102 - Housing project management.

Code of Federal Regulations, 2012 CFR

2012-01-01

..., unless the machine becomes the property of the project after purchase. (iii) Determining if Expenses are... computer learning center activities benefiting tenants are not covered in this prohibition. (viii) It is...

7 CFR 3560.102 - Housing project management.

Code of Federal Regulations, 2014 CFR

2014-01-01

..., unless the machine becomes the property of the project after purchase. (iii) Determining if Expenses are... computer learning center activities benefiting tenants are not covered in this prohibition. (viii) It is...

An iterative method for hydrodynamic interactions in Brownian dynamics simulations of polymer dynamics

NASA Astrophysics Data System (ADS)

Miao, Linling; Young, Charles D.; Sing, Charles E.

2017-07-01

Brownian Dynamics (BD) simulations are a standard tool for understanding the dynamics of polymers in and out of equilibrium. Quantitative comparison can be made to rheological measurements of dilute polymer solutions, as well as direct visual observations of fluorescently labeled DNA. The primary computational challenge with BD is the expensive calculation of hydrodynamic interactions (HI), which are necessary to capture physically realistic dynamics. The full HI calculation, performed via a Cholesky decomposition every time step, scales with the length of the polymer as O(N3). This limits the calculation to a few hundred simulated particles. A number of approximations in the literature can lower this scaling to O(N2 - N2.25), and explicit solvent methods scale as O(N); however both incur a significant constant per-time step computational cost. Despite this progress, there remains a need for new or alternative methods of calculating hydrodynamic interactions; large polymer chains or semidilute polymer solutions remain computationally expensive. In this paper, we introduce an alternative method for calculating approximate hydrodynamic interactions. Our method relies on an iterative scheme to establish self-consistency between a hydrodynamic matrix that is averaged over simulation and the hydrodynamic matrix used to run the simulation. Comparison to standard BD simulation and polymer theory results demonstrates that this method quantitatively captures both equilibrium and steady-state dynamics after only a few iterations. The use of an averaged hydrodynamic matrix allows the computationally expensive Brownian noise calculation to be performed infrequently, so that it is no longer the bottleneck of the simulation calculations. We also investigate limitations of this conformational averaging approach in ring polymers.

Automatic Data Filter Customization Using a Genetic Algorithm

NASA Technical Reports Server (NTRS)

Mandrake, Lukas

2013-01-01

This work predicts whether a retrieval algorithm will usefully determine CO2 concentration from an input spectrum of GOSAT (Greenhouse Gases Observing Satellite). This was done to eliminate needless runtime on atmospheric soundings that would never yield useful results. A space of 50 dimensions was examined for predictive power on the final CO2 results. Retrieval algorithms are frequently expensive to run, and wasted effort defeats requirements and expends needless resources. This algorithm could be used to help predict and filter unneeded runs in any computationally expensive regime. Traditional methods such as the Fischer discriminant analysis and decision trees can attempt to predict whether a sounding will be properly processed. However, this work sought to detect a subsection of the dimensional space that can be simply filtered out to eliminate unwanted runs. LDAs (linear discriminant analyses) and other systems examine the entire data and judge a "best fit," giving equal weight to complex and problematic regions as well as simple, clear-cut regions. In this implementation, a genetic space of "left" and "right" thresholds outside of which all data are rejected was defined. These left/right pairs are created for each of the 50 input dimensions. A genetic algorithm then runs through countless potential filter settings using a JPL computer cluster, optimizing the tossed-out data s yield (proper vs. improper run removal) and number of points tossed. This solution is robust to an arbitrary decision boundary within the data and avoids the global optimization problem of whole-dataset fitting using LDA or decision trees. It filters out runs that would not have produced useful CO2 values to save needless computation. This would be an algorithmic preprocessing improvement to any computationally expensive system.

Crystallographic Lattice Boltzmann Method

PubMed Central

Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

2016-01-01

Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098

Tapering the sky response for angular power spectrum estimation from low-frequency radio-interferometric data.

PubMed

Choudhuri, Samir; Bharadwaj, Somnath; Roy, Nirupam; Ghosh, Abhik; Ali, Sk Saiyad

2016-06-11

It is important to correctly subtract point sources from radio-interferometric data in order to measure the power spectrum of diffuse radiation like the Galactic synchrotron or the Epoch of Reionization 21-cm signal. It is computationally very expensive and challenging to image a very large area and accurately subtract all the point sources from the image. The problem is particularly severe at the sidelobes and the outer parts of the main lobe where the antenna response is highly frequency dependent and the calibration also differs from that of the phase centre. Here, we show that it is possible to overcome this problem by tapering the sky response. Using simulated 150 MHz observations, we demonstrate that it is possible to suppress the contribution due to point sources from the outer parts by using the Tapered Gridded Estimator to measure the angular power spectrum C ℓ of the sky signal. We also show from the simulation that this method can self-consistently compute the noise bias and accurately subtract it to provide an unbiased estimation of C ℓ .

A Comparison of Approximation Modeling Techniques: Polynomial Versus Interpolating Models

NASA Technical Reports Server (NTRS)

Giunta, Anthony A.; Watson, Layne T.

1998-01-01

Two methods of creating approximation models are compared through the calculation of the modeling accuracy on test problems involving one, five, and ten independent variables. Here, the test problems are representative of the modeling challenges typically encountered in realistic engineering optimization problems. The first approximation model is a quadratic polynomial created using the method of least squares. This type of polynomial model has seen considerable use in recent engineering optimization studies due to its computational simplicity and ease of use. However, quadratic polynomial models may be of limited accuracy when the response data to be modeled have multiple local extrema. The second approximation model employs an interpolation scheme known as kriging developed in the fields of spatial statistics and geostatistics. This class of interpolating model has the flexibility to model response data with multiple local extrema. However, this flexibility is obtained at an increase in computational expense and a decrease in ease of use. The intent of this study is to provide an initial exploration of the accuracy and modeling capabilities of these two approximation methods.

As-built data capture of complex piping using photogrammetry technology

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

Morray, J.P.; Ziu, C.G.

1995-11-01

Plant owners face an increasingly difficult and expensive task of updating drawings, both regarding the plant logic and physical layout. Through the use of photogrammetry technology, H-H spectrum has created a complete operating plant data capture service, with the result that the task of recording accurate plant configurations has become assured and economical. The technology has proven to be extremely valuable for the capture of complex piping configurations, as well as entire plant facilities, and yields accuracy within 1/4 inch. The method uses photographs and workstation technology to quickly document and compute the plant layout, with all components, regardless ofmore » size, included in the resulting model. The system has the capability to compute actual 3-D coordinates of any point based on previous triangulations, allowing for an immediate assessment of accuracy. This ensures a consistent level of accuracy, which is impossible to achieve in a manual approach. Due to the speed of the process, the approach is very important in hazardous/difficult environments such as nuclear power facilities or offshore platforms.« less

Learning a force field for the martensitic phase transformation in Zr

NASA Astrophysics Data System (ADS)

Zong, Hongxiang; Pilania, Ghanshyam; Ramprasad, Rampi; Lookman, Turab

Atomic simulations provide an effective means to understand the underlying physics of martensitic transformations under extreme conditions. However, this is still a challenge for certain phase transforming metals due to the lack of an accurate classical force field. Quantum molecular dynamics (QMD) simulations are accurate but expensive. During the course of QMD simulations, similar configurations are constantly visited and revisited. Machine Learning can effectively learn from past visits and, therefore, eliminate such redundancies. In this talk, we will discuss the development of a hybrid ML-QMD method in which on-demand, on-the-fly quantum mechanical (QM) calculations are performed to accelerate calculations of interatomic forces at much lower computational costs. Using Zirconium as a model system for which accurate atomisctic potentials are currently unvailable we will demonstrate the feasibility and effectiveness of our approach. Specifically, the computed structural phase transformation behavior within the ML-QMD approach will be compared with available experimental results. Furthermore, results on phonons, stacking fault energies, and activation barriers for the homogeneous martensitic transformation in Zr will be presented.

Computing LORAN time differences with an HP-25 hand calculator

NASA Technical Reports Server (NTRS)

Jones, E. D.

1978-01-01

A program for an HP-25 or HP-25C hand calculator that will calculate accurate LORAN-C time differences is described and presented. The program is most useful when checking the accuracy of a LORAN-C receiver at a known latitude and longitude without the aid of an expensive computer. It can thus be used to compute time differences for known landmarks or waypoints to predict in advance the approximate readings during a navigation mission.

Design Trade-off Between Performance and Fault-Tolerance of Space Onboard Computers

NASA Astrophysics Data System (ADS)

Gorbunov, M. S.; Antonov, A. A.

2017-01-01

It is well known that there is a trade-off between performance and power consumption in onboard computers. The fault-tolerance is another important factor affecting performance, chip area and power consumption. Involving special SRAM cells and error-correcting codes is often too expensive with relation to the performance needed. We discuss the possibility of finding the optimal solutions for modern onboard computer for scientific apparatus focusing on multi-level cache memory design.

Detroit's avoidable mortality project: breast cancer control for inner-city women.

PubMed Central

Burack, R C; Gimotty, P A; Stengle, W; Eckert, D; Warbasse, L; Moncrease, A

1989-01-01

Mammography remains substantially under-used in low-income minority populations despite its well-established efficacy as a means of breast cancer control. The Metropolitan Detroit Avoidable Mortality Project is a 2-year controlled clinical trial of coordinated interventions which seek to improve the use of early breast cancer detection services at five clinical sites providing primary health care services to inner-city women. Baseline assessment for two of the five participating clinic populations demonstrated that only one-quarter of women who visited these clinics were referred for mammography in 1988, and only half of those who were referred were able to complete the procedure. Patient characteristics including age, marital status, ethnicity, and insurance status were not associated with use of mammography during the baseline period. Each of the project's intervention components is a cue to action: a physician prompt for mammography referral within the medical record of procedure-due women, a reminder postcard for scheduled appointments, and a telephone call to encourage rescheduling of missed appointments. The interventions are initiated by a computerized information management system in the existing network of health care services. The patient's out-of-pocket mammography expense has been eliminated in three of the five sites. Although their efficacy as individual interventions has been well established, a controlled trial of computer prompts to physicians, reduced expense for patients, and patient appointment reminders as an integrated system in inner-city medical care settings has not been previously described. We have implemented the prompting, facilitated rescheduling procedures, and eliminated patient expense for mammography at three of five eventual clinical sites. This report provides an overview of the study's design, data management system, and methodology for evaluation. PMID:2511584

Estimating the expected value of partial perfect information in health economic evaluations using integrated nested Laplace approximation.

PubMed

Heath, Anna; Manolopoulou, Ioanna; Baio, Gianluca

2016-10-15

The Expected Value of Perfect Partial Information (EVPPI) is a decision-theoretic measure of the 'cost' of parametric uncertainty in decision making used principally in health economic decision making. Despite this decision-theoretic grounding, the uptake of EVPPI calculations in practice has been slow. This is in part due to the prohibitive computational time required to estimate the EVPPI via Monte Carlo simulations. However, recent developments have demonstrated that the EVPPI can be estimated by non-parametric regression methods, which have significantly decreased the computation time required to approximate the EVPPI. Under certain circumstances, high-dimensional Gaussian Process (GP) regression is suggested, but this can still be prohibitively expensive. Applying fast computation methods developed in spatial statistics using Integrated Nested Laplace Approximations (INLA) and projecting from a high-dimensional into a low-dimensional input space allows us to decrease the computation time for fitting these high-dimensional GP, often substantially. We demonstrate that the EVPPI calculated using our method for GP regression is in line with the standard GP regression method and that despite the apparent methodological complexity of this new method, R functions are available in the package BCEA to implement it simply and efficiently. © 2016 The Authors. Statistics in Medicine Published by John Wiley & Sons Ltd. © 2016 The Authors. Statistics in Medicine Published by John Wiley & Sons Ltd.

Sustaining Moore's law with 3D chips

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

DeBenedictis, Erik P.; Badaroglu, Mustafa; Chen, An

Here, rather than continue the expensive and time-consuming quest for transistor replacement, the authors argue that 3D chips coupled with new computer architectures can keep Moore's law on its traditional scaling path.

Sustaining Moore's law with 3D chips

DOE PAGES

DeBenedictis, Erik P.; Badaroglu, Mustafa; Chen, An; ...

2017-08-01

Here, rather than continue the expensive and time-consuming quest for transistor replacement, the authors argue that 3D chips coupled with new computer architectures can keep Moore's law on its traditional scaling path.

46 CFR 404.5 - Guidelines for the recognition of expenses.

Code of Federal Regulations, 2010 CFR

2010-10-01

... to the extent that they conform to depreciation plus an allowance for return on investment (computed... ratemaking purposes. The Director reviews non-pilotage activities to determine if any adversely impact the...

An optimized and low-cost FPGA-based DNA sequence alignment--a step towards personal genomics.

PubMed

Shah, Hurmat Ali; Hasan, Laiq; Ahmad, Nasir

2013-01-01

DNA sequence alignment is a cardinal process in computational biology but also is much expensive computationally when performing through traditional computational platforms like CPU. Of many off the shelf platforms explored for speeding up the computation process, FPGA stands as the best candidate due to its performance per dollar spent and performance per watt. These two advantages make FPGA as the most appropriate choice for realizing the aim of personal genomics. The previous implementation of DNA sequence alignment did not take into consideration the price of the device on which optimization was performed. This paper presents optimization over previous FPGA implementation that increases the overall speed-up achieved as well as the price incurred by the platform that was optimized. The optimizations are (1) The array of processing elements is made to run on change in input value and not on clock, so eliminating the need for tight clock synchronization, (2) the implementation is unrestrained by the size of the sequences to be aligned, (3) the waiting time required for the sequences to load to FPGA is reduced to the minimum possible and (4) an efficient method is devised to store the output matrix that make possible to save the diagonal elements to be used in next pass, in parallel with the computation of output matrix. Implemented on Spartan3 FPGA, this implementation achieved 20 times performance improvement in terms of CUPS over GPP implementation.

Computer programs: Information retrieval and data analysis, a compilation

NASA Technical Reports Server (NTRS)

1972-01-01

The items presented in this compilation are divided into two sections. Section one treats of computer usage devoted to the retrieval of information that affords the user rapid entry into voluminous collections of data on a selective basis. Section two is a more generalized collection of computer options for the user who needs to take such data and reduce it to an analytical study within a specific discipline. These programs, routines, and subroutines should prove useful to users who do not have access to more sophisticated and expensive computer software.

Towards Wearable Cognitive Assistance

DTIC Science & Technology

2013-12-01

ABSTRACT unclassified c. THIS PAGE unclassified Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18 Keywords: mobile computing, cloud...It presents a muli-tiered mobile system architecture that offers tight end-to-end latency bounds on compute-intensive cognitive assistance...to an entire neighborhood or an entire city is extremely expensive and time-consuming. Physical infrastructure in public spaces tends to evolve very

Behavior-Based Fault Monitoring

DTIC Science & Technology

1990-12-03

processor targeted for avionics and space applications . It appears that the signature monitoring technique can be extended to detect computer viruses as...most common approach is structural duplication. Although effective, duplication is too expensive for all but a few applications . Redundancy can also be...Signature Monitoring and Encryption," Int. Conf. on Dependable Computing for Critical Applications , August 1989. 7. K.D. Wilken and J.P. Shen

Artificial Intelligence Methods: Challenge in Computer Based Polymer Design

NASA Astrophysics Data System (ADS)

Rusu, Teodora; Pinteala, Mariana; Cartwright, Hugh

2009-08-01

This paper deals with the use of Artificial Intelligence Methods (AI) in the design of new molecules possessing desired physical, chemical and biological properties. This is an important and difficult problem in the chemical, material and pharmaceutical industries. Traditional methods involve a laborious and expensive trial-and-error procedure, but computer-assisted approaches offer many advantages in the automation of molecular design.

Gaussian process regression of chirplet decomposed ultrasonic B-scans of a simulated design case

NASA Astrophysics Data System (ADS)

Wertz, John; Homa, Laura; Welter, John; Sparkman, Daniel; Aldrin, John

2018-04-01

The US Air Force seeks to implement damage tolerant lifecycle management of composite structures. Nondestructive characterization of damage is a key input to this framework. One approach to characterization is model-based inversion of the ultrasonic response from damage features; however, the computational expense of modeling the ultrasonic waves within composites is a major hurdle to implementation. A surrogate forward model with sufficient accuracy and greater computational efficiency is therefore critical to enabling model-based inversion and damage characterization. In this work, a surrogate model is developed on the simulated ultrasonic response from delamination-like structures placed at different locations within a representative composite layup. The resulting B-scans are decomposed via the chirplet transform, and a Gaussian process model is trained on the chirplet parameters. The quality of the surrogate is tested by comparing the B-scan for a delamination configuration not represented within the training data set. The estimated B-scan has a maximum error of ˜15% for an estimated reduction in computational runtime of ˜95% for 200 function calls. This considerable reduction in computational expense makes full 3D characterization of impact damage tractable.

Using Approximations to Accelerate Engineering Design Optimization

NASA Technical Reports Server (NTRS)

Torczon, Virginia; Trosset, Michael W.

1998-01-01

Optimization problems that arise in engineering design are often characterized by several features that hinder the use of standard nonlinear optimization techniques. Foremost among these features is that the functions used to define the engineering optimization problem often are computationally intensive. Within a standard nonlinear optimization algorithm, the computational expense of evaluating the functions that define the problem would necessarily be incurred for each iteration of the optimization algorithm. Faced with such prohibitive computational costs, an attractive alternative is to make use of surrogates within an optimization context since surrogates can be chosen or constructed so that they are typically much less expensive to compute. For the purposes of this paper, we will focus on the use of algebraic approximations as surrogates for the objective. In this paper we introduce the use of so-called merit functions that explicitly recognize the desirability of improving the current approximation to the objective during the course of the optimization. We define and experiment with the use of merit functions chosen to simultaneously improve both the solution to the optimization problem (the objective) and the quality of the approximation. Our goal is to further improve the effectiveness of our general approach without sacrificing any of its rigor.

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.

The BADER Consortium

DTIC Science & Technology

2013-10-01

Support and Oversight: 1a. Provide oversight of the overall Consortium budget including auditing for allowable expenses, managing re- budget requests... budgeted for the first year did not occur due to a much less expensive alternative to the originally proposed protocol and data management system...Identification of cost savings and efficiencies in year 1 and year 2 allowed for an increase in the budget available to fund research projects for the

Modeling chemical vapor deposition of silicon dioxide in microreactors at atmospheric pressure

NASA Astrophysics Data System (ADS)

Konakov, S. A.; Krzhizhanovskaya, V. V.

2015-01-01

We developed a multiphysics mathematical model for simulation of silicon dioxide Chemical Vapor Deposition (CVD) from tetraethyl orthosilicate (TEOS) and oxygen mixture in a microreactor at atmospheric pressure. Microfluidics is a promising technology with numerous applications in chemical synthesis due to its high heat and mass transfer efficiency and well-controlled flow parameters. Experimental studies of CVD microreactor technology are slow and expensive. Analytical solution of the governing equations is impossible due to the complexity of intertwined non-linear physical and chemical processes. Computer simulation is the most effective tool for design and optimization of microreactors. Our computational fluid dynamics model employs mass, momentum and energy balance equations for a laminar transient flow of a chemically reacting gas mixture at low Reynolds number. Simulation results show the influence of microreactor configuration and process parameters on SiO2 deposition rate and uniformity. We simulated three microreactors with the central channel diameter of 5, 10, 20 micrometers, varying gas flow rate in the range of 5-100 microliters per hour and temperature in the range of 300-800 °C. For each microchannel diameter we found an optimal set of process parameters providing the best quality of deposited material. The model will be used for optimization of the microreactor configuration and technological parameters to facilitate the experimental stage of this research.

Computing technology in the 1980's. [computers

NASA Technical Reports Server (NTRS)

Stone, H. S.

1978-01-01

Advances in computing technology have been led by consistently improving semiconductor technology. The semiconductor industry has turned out ever faster, smaller, and less expensive devices since transistorized computers were first introduced 20 years ago. For the next decade, there appear to be new advances possible, with the rate of introduction of improved devices at least equal to the historic trends. The implication of these projections is that computers will enter new markets and will truly be pervasive in business, home, and factory as their cost diminishes and their computational power expands to new levels. The computer industry as we know it today will be greatly altered in the next decade, primarily because the raw computer system will give way to computer-based turn-key information and control systems.

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.

Learning Computational Models of Video Memorability from fMRI Brain Imaging.

PubMed

Han, Junwei; Chen, Changyuan; Shao, Ling; Hu, Xintao; Han, Jungong; Liu, Tianming

2015-08-01

Generally, various visual media are unequally memorable by the human brain. This paper looks into a new direction of modeling the memorability of video clips and automatically predicting how memorable they are by learning from brain functional magnetic resonance imaging (fMRI). We propose a novel computational framework by integrating the power of low-level audiovisual features and brain activity decoding via fMRI. Initially, a user study experiment is performed to create a ground truth database for measuring video memorability and a set of effective low-level audiovisual features is examined in this database. Then, human subjects' brain fMRI data are obtained when they are watching the video clips. The fMRI-derived features that convey the brain activity of memorizing videos are extracted using a universal brain reference system. Finally, due to the fact that fMRI scanning is expensive and time-consuming, a computational model is learned on our benchmark dataset with the objective of maximizing the correlation between the low-level audiovisual features and the fMRI-derived features using joint subspace learning. The learned model can then automatically predict the memorability of videos without fMRI scans. Evaluations on publically available image and video databases demonstrate the effectiveness of the proposed framework.

Nanoinformatics knowledge infrastructures: bringing efficient information management to nanomedical research

PubMed Central

de la Iglesia, D; Cachau, R E; García-Remesal, M; Maojo, V

2014-01-01

Nanotechnology represents an area of particular promise and significant opportunity across multiple scientific disciplines. Ongoing nanotechnology research ranges from the characterization of nanoparticles and nanomaterials to the analysis and processing of experimental data seeking correlations between nanoparticles and their functionalities and side effects. Due to their special properties, nanoparticles are suitable for cellular-level diagnostics and therapy, offering numerous applications in medicine, e.g. development of biomedical devices, tissue repair, drug delivery systems and biosensors. In nanomedicine, recent studies are producing large amounts of structural and property data, highlighting the role for computational approaches in information management. While in vitro and in vivo assays are expensive, the cost of computing is falling. Furthermore, improvements in the accuracy of computational methods (e.g. data mining, knowledge discovery, modeling and simulation) have enabled effective tools to automate the extraction, management and storage of these vast data volumes. Since this information is widely distributed, one major issue is how to locate and access data where it resides (which also poses data-sharing limitations). The novel discipline of nanoinformatics addresses the information challenges related to nanotechnology research. In this paper, we summarize the needs and challenges in the field and present an overview of extant initiatives and efforts. PMID:24932210

Code Modernization of VPIC

NASA Astrophysics Data System (ADS)

Bird, Robert; Nystrom, David; Albright, Brian

2017-10-01

The ability of scientific simulations to effectively deliver performant computation is increasingly being challenged by successive generations of high-performance computing architectures. Code development to support efficient computation on these modern architectures is both expensive, and highly complex; if it is approached without due care, it may also not be directly transferable between subsequent hardware generations. Previous works have discussed techniques to support the process of adapting a legacy code for modern hardware generations, but despite the breakthroughs in the areas of mini-app development, portable-performance, and cache oblivious algorithms the problem still remains largely unsolved. In this work we demonstrate how a focus on platform agnostic modern code-development can be applied to Particle-in-Cell (PIC) simulations to facilitate effective scientific delivery. This work builds directly on our previous work optimizing VPIC, in which we replaced intrinsic based vectorisation with compile generated auto-vectorization to improve the performance and portability of VPIC. In this work we present the use of a specialized SIMD queue for processing some particle operations, and also preview a GPU capable OpenMP variant of VPIC. Finally we include a lessons learnt. Work performed under the auspices of the U.S. Dept. of Energy by the Los Alamos National Security, LLC Los Alamos National Laboratory under contract DE-AC52-06NA25396 and supported by the LANL LDRD program.

Development of a Higher Order Laminate Theory for Modeling Composites with Induced Strain Actuators

NASA Technical Reports Server (NTRS)

Chattopadhyay, Aditi; Seeley, Charles E.

1996-01-01

A refined higher order plate theory is developed to investigate the actuation mechanism of piezoelectric materials surface bonded or embedded in composite laminates. The current analysis uses a displacement field which accurately accounts for transverse shear stresses. Some higher order terms are identified by using the conditions that shear stresses vanish at all free surfaces. Therefore, all boundary conditions for displacements and stresses are satisfied in the present theory. The analysis is implemented using the finite element method which provides a convenient means to construct a numerical solution due to the discrete nature of the actuators. The higher order theory is computationally less expensive than a full three dimensional analysis. The theory is also shown to agree well with published experimental results. Numerical examples are presented for composite plates with thicknesses ranging from thin to very thick.

Role of Kekulé and Non-Kekulé Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study

PubMed Central

Yeh, Chia-Nan; Chai, Jeng-Da

2016-01-01

We investigate the role of Kekulé and non-Kekulé structures in the radical character of alternant polycyclic aromatic hydrocarbons (PAHs) using thermally-assisted-occupation density functional theory (TAO-DFT), an efficient electronic structure method for the study of large ground-state systems with strong static correlation effects. Our results reveal that the studies of Kekulé and non-Kekulé structures qualitatively describe the radical character of alternant PAHs, which could be useful when electronic structure calculations are infeasible due to the expensive computational cost. In addition, our results support previous findings on the increase in radical character with increasing system size. For alternant PAHs with the same number of aromatic rings, the geometrical arrangements of aromatic rings are responsible for their radical character. PMID:27457289

The techniques of quality operations computational and experimental researches of the launch vehicles in the drawing-board stage

NASA Astrophysics Data System (ADS)

Rozhaeva, K.

2018-01-01

The aim of the researchis the quality operations of the design process at the stage of research works on the development of active on-Board system of the launch vehicles spent stages descent with liquid propellant rocket engines by simulating the gasification process of undeveloped residues of fuel in the tanks. The design techniques of the gasification process of liquid rocket propellant components residues in the tank to the expense of finding and fixing errors in the algorithm calculation to increase the accuracy of calculation results is proposed. Experimental modelling of the model liquid evaporation in a limited reservoir of the experimental stand, allowing due to the false measurements rejection based on given criteria and detected faults to enhance the results reliability of the experimental studies; to reduce the experiments cost.

Switching from computer to microcomputer architecture education

NASA Astrophysics Data System (ADS)

Bolanakis, Dimosthenis E.; Kotsis, Konstantinos T.; Laopoulos, Theodore

2010-03-01

In the last decades, the technological and scientific evolution of the computing discipline has been widely affecting research in software engineering education, which nowadays advocates more enlightened and liberal ideas. This article reviews cross-disciplinary research on a computer architecture class in consideration of its switching to microcomputer architecture. The authors present their strategies towards a successful crossing of boundaries between engineering disciplines. This communication aims at providing a different aspect on professional courses that are, nowadays, addressed at the expense of traditional courses.

BioNetFit: a fitting tool compatible with BioNetGen, NFsim and distributed computing environments

DOE PAGES

Thomas, Brandon R.; Chylek, Lily A.; Colvin, Joshua; ...

2015-11-09

Rule-based models are analyzed with specialized simulators, such as those provided by the BioNetGen and NFsim open-source software packages. Here in this paper, we present BioNetFit, a general-purpose fitting tool that is compatible with BioNetGen and NFsim. BioNetFit is designed to take advantage of distributed computing resources. This feature facilitates fitting (i.e. optimization of parameter values for consistency with data) when simulations are computationally expensive.

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.

Digital video technology, today and tomorrow

NASA Astrophysics Data System (ADS)

Liberman, J.

1994-10-01

Digital video is probably computing's fastest moving technology today. Just three years ago, the zenith of digital video technology on the PC was the successful marriage of digital text and graphics with analog audio and video by means of expensive analog laser disc players and video overlay boards. The state of the art involves two different approaches to fully digital video on computers: hardware-assisted and software-only solutions.

A fast CT reconstruction scheme for a general multi-core PC.

PubMed

Zeng, Kai; Bai, Erwei; Wang, Ge

2007-01-01

Expensive computational cost is a severe limitation in CT reconstruction for clinical applications that need real-time feedback. A primary example is bolus-chasing computed tomography (CT) angiography (BCA) that we have been developing for the past several years. To accelerate the reconstruction process using the filtered backprojection (FBP) method, specialized hardware or graphics cards can be used. However, specialized hardware is expensive and not flexible. The graphics processing unit (GPU) in a current graphic card can only reconstruct images in a reduced precision and is not easy to program. In this paper, an acceleration scheme is proposed based on a multi-core PC. In the proposed scheme, several techniques are integrated, including utilization of geometric symmetry, optimization of data structures, single-instruction multiple-data (SIMD) processing, multithreaded computation, and an Intel C++ compilier. Our scheme maintains the original precision and involves no data exchange between the GPU and CPU. The merits of our scheme are demonstrated in numerical experiments against the traditional implementation. Our scheme achieves a speedup of about 40, which can be further improved by several folds using the latest quad-core processors.

A Fast CT Reconstruction Scheme for a General Multi-Core PC

PubMed Central

Zeng, Kai; Bai, Erwei; Wang, Ge

2007-01-01

Expensive computational cost is a severe limitation in CT reconstruction for clinical applications that need real-time feedback. A primary example is bolus-chasing computed tomography (CT) angiography (BCA) that we have been developing for the past several years. To accelerate the reconstruction process using the filtered backprojection (FBP) method, specialized hardware or graphics cards can be used. However, specialized hardware is expensive and not flexible. The graphics processing unit (GPU) in a current graphic card can only reconstruct images in a reduced precision and is not easy to program. In this paper, an acceleration scheme is proposed based on a multi-core PC. In the proposed scheme, several techniques are integrated, including utilization of geometric symmetry, optimization of data structures, single-instruction multiple-data (SIMD) processing, multithreaded computation, and an Intel C++ compilier. Our scheme maintains the original precision and involves no data exchange between the GPU and CPU. The merits of our scheme are demonstrated in numerical experiments against the traditional implementation. Our scheme achieves a speedup of about 40, which can be further improved by several folds using the latest quad-core processors. PMID:18256731

Effects of combined dimension reduction and tabulation on the simulations of a turbulent premixed flame using a large-eddy simulation/probability density function method

NASA Astrophysics Data System (ADS)

Kim, Jeonglae; Pope, Stephen B.

2014-05-01

A turbulent lean-premixed propane-air flame stabilised by a triangular cylinder as a flame-holder is simulated to assess the accuracy and computational efficiency of combined dimension reduction and tabulation of chemistry. The computational condition matches the Volvo rig experiments. For the reactive simulation, the Lagrangian Large-Eddy Simulation/Probability Density Function (LES/PDF) formulation is used. A novel two-way coupling approach between LES and PDF is applied to obtain resolved density to reduce its statistical fluctuations. Composition mixing is evaluated by the modified Interaction-by-Exchange with the Mean (IEM) model. A baseline case uses In Situ Adaptive Tabulation (ISAT) to calculate chemical reactions efficiently. Its results demonstrate good agreement with the experimental measurements in turbulence statistics, temperature, and minor species mass fractions. For dimension reduction, 11 and 16 represented species are chosen and a variant of Rate Controlled Constrained Equilibrium (RCCE) is applied in conjunction with ISAT to each case. All the quantities in the comparison are indistinguishable from the baseline results using ISAT only. The combined use of RCCE/ISAT reduces the computational time for chemical reaction by more than 50%. However, for the current turbulent premixed flame, chemical reaction takes only a minor portion of the overall computational cost, in contrast to non-premixed flame simulations using LES/PDF, presumably due to the restricted manifold of purely premixed flame in the composition space. Instead, composition mixing is the major contributor to cost reduction since the mean-drift term, which is computationally expensive, is computed for the reduced representation. Overall, a reduction of more than 15% in the computational cost is obtained.

25 CFR 700.163 - Expenses in searching for replacement location-nonresidential moves.

Code of Federal Regulations, 2010 CFR

2010-04-01

..., including— (a) Transportation computed at prevailing federal per diem and mileage allowance schedules; meals and lodging away from home; (b) Time spent searching, based on reasonable earnings; (c) Fees paid to a...

25 CFR 700.163 - Expenses in searching for replacement location-nonresidential moves.

Code of Federal Regulations, 2011 CFR

2011-04-01

..., including— (a) Transportation computed at prevailing federal per diem and mileage allowance schedules; meals and lodging away from home; (b) Time spent searching, based on reasonable earnings; (c) Fees paid to a...

SIMULATING ATMOSPHERIC EXPOSURE USING AN INNOVATIVE METEOROLOGICAL SAMPLING SCHEME

EPA Science Inventory

Multimedia Risk assessments require the temporal integration of atmospheric concentration and deposition estimates with other media modules. However, providing an extended time series of estimates is computationally expensive. An alternative approach is to substitute long-ter...

47 CFR 54.639 - Ineligible expenses.

Code of Federal Regulations, 2013 CFR

2013-10-01

..., including the following: i. Computers, including servers, and related hardware (e.g., printers, scanners, laptops), unless used exclusively for network management, maintenance, or other network operations; ii... installation/construction; marketing studies, marketing activities, or outreach to potential network members...

47 CFR 54.639 - Ineligible expenses.

Code of Federal Regulations, 2014 CFR

2014-10-01

..., including the following: i. Computers, including servers, and related hardware (e.g., printers, scanners, laptops), unless used exclusively for network management, maintenance, or other network operations; ii... installation/construction; marketing studies, marketing activities, or outreach to potential network members...

Re-Innovating Recycling for Turbulent Boundary Layer Simulations

NASA Astrophysics Data System (ADS)

Ruan, Joseph; Blanquart, Guillaume

2017-11-01

Historically, turbulent boundary layers along a flat plate have been expensive to simulate numerically, in part due to the difficulty of initializing the inflow with ``realistic'' turbulence, but also due to boundary layer growth. The former has been resolved in several ways, primarily dedicating a region of at least 10 boundary layer thicknesses in width to rescale and recycle flow or by extending the region far enough downstream to allow a laminar flow to develop into turbulence. Both of these methods are relatively costly. We propose a new method to remove the need for an inflow region, thus reducing computational costs significantly. Leveraging the scale similarity of the mean flow profiles, we introduce a coordinate transformation so that the boundary layer problem can be solved as a parallel flow problem with additional source terms. The solutions in the new coordinate system are statistically homogeneous in the downstream direction and so the problem can be solved with periodic boundary conditions. The present study shows the stability of this method, its implementation and its validation for a few laminar and turbulent boundary layer cases.

On Using Surrogates with Genetic Programming.

PubMed

Hildebrandt, Torsten; Branke, Jürgen

2015-01-01

One way to accelerate evolutionary algorithms with expensive fitness evaluations is to combine them with surrogate models. Surrogate models are efficiently computable approximations of the fitness function, derived by means of statistical or machine learning techniques from samples of fully evaluated solutions. But these models usually require a numerical representation, and therefore cannot be used with the tree representation of genetic programming (GP). In this paper, we present a new way to use surrogate models with GP. Rather than using the genotype directly as input to the surrogate model, we propose using a phenotypic characterization. This phenotypic characterization can be computed efficiently and allows us to define approximate measures of equivalence and similarity. Using a stochastic, dynamic job shop scenario as an example of simulation-based GP with an expensive fitness evaluation, we show how these ideas can be used to construct surrogate models and improve the convergence speed and solution quality of GP.

Space-filling designs for computer experiments: A review

DOE PAGES

Joseph, V. Roshan

2016-01-29

Improving the quality of a product/process using a computer simulator is a much less expensive option than the real physical testing. However, simulation using computationally intensive computer models can be time consuming and therefore, directly doing the optimization on the computer simulator can be infeasible. Experimental design and statistical modeling techniques can be used for overcoming this problem. This article reviews experimental designs known as space-filling designs that are suitable for computer simulations. In the review, a special emphasis is given for a recently developed space-filling design called maximum projection design. Furthermore, its advantages are illustrated using a simulation conductedmore » for optimizing a milling process.« less

Space-filling designs for computer experiments: A review

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

Joseph, V. Roshan

Improving the quality of a product/process using a computer simulator is a much less expensive option than the real physical testing. However, simulation using computationally intensive computer models can be time consuming and therefore, directly doing the optimization on the computer simulator can be infeasible. Experimental design and statistical modeling techniques can be used for overcoming this problem. This article reviews experimental designs known as space-filling designs that are suitable for computer simulations. In the review, a special emphasis is given for a recently developed space-filling design called maximum projection design. Furthermore, its advantages are illustrated using a simulation conductedmore » for optimizing a milling process.« less

GPU-computing in econophysics and statistical physics

NASA Astrophysics Data System (ADS)

Preis, T.

2011-03-01

A recent trend in computer science and related fields is general purpose computing on graphics processing units (GPUs), which can yield impressive performance. With multiple cores connected by high memory bandwidth, today's GPUs offer resources for non-graphics parallel processing. This article provides a brief introduction into the field of GPU computing and includes examples. In particular computationally expensive analyses employed in financial market context are coded on a graphics card architecture which leads to a significant reduction of computing time. In order to demonstrate the wide range of possible applications, a standard model in statistical physics - the Ising model - is ported to a graphics card architecture as well, resulting in large speedup values.

Surface similarity-based molecular query-retrieval

PubMed Central

Singh, Rahul

2007-01-01

Background Discerning the similarity between molecules is a challenging problem in drug discovery as well as in molecular biology. The importance of this problem is due to the fact that the biochemical characteristics of a molecule are closely related to its structure. Therefore molecular similarity is a key notion in investigations targeting exploration of molecular structural space, query-retrieval in molecular databases, and structure-activity modelling. Determining molecular similarity is related to the choice of molecular representation. Currently, representations with high descriptive power and physical relevance like 3D surface-based descriptors are available. Information from such representations is both surface-based and volumetric. However, most techniques for determining molecular similarity tend to focus on idealized 2D graph-based descriptors due to the complexity that accompanies reasoning with more elaborate representations. Results This paper addresses the problem of determining similarity when molecules are described using complex surface-based representations. It proposes an intrinsic, spherical representation that systematically maps points on a molecular surface to points on a standard coordinate system (a sphere). Molecular surface properties such as shape, field strengths, and effects due to field super-positioningcan then be captured as distributions on the surface of the sphere. Surface-based molecular similarity is subsequently determined by computing the similarity of the surface-property distributions using a novel formulation of histogram-intersection. The similarity formulation is not only sensitive to the 3D distribution of the surface properties, but is also highly efficient to compute. Conclusion The proposed method obviates the computationally expensive step of molecular pose-optimisation, can incorporate conformational variations, and facilitates highly efficient determination of similarity by directly comparing molecular surfaces and surface-based properties. Retrieval performance, applications in structure-activity modeling of complex biological properties, and comparisons with existing research and commercial methods demonstrate the validity and effectiveness of the approach. PMID:17634096

Fast solver for large scale eddy current non-destructive evaluation problems

NASA Astrophysics Data System (ADS)

Lei, Naiguang

Eddy current testing plays a very important role in non-destructive evaluations of conducting test samples. Based on Faraday's law, an alternating magnetic field source generates induced currents, called eddy currents, in an electrically conducting test specimen. The eddy currents generate induced magnetic fields that oppose the direction of the inducing magnetic field in accordance with Lenz's law. In the presence of discontinuities in material property or defects in the test specimen, the induced eddy current paths are perturbed and the associated magnetic fields can be detected by coils or magnetic field sensors, such as Hall elements or magneto-resistance sensors. Due to the complexity of the test specimen and the inspection environments, the availability of theoretical simulation models is extremely valuable for studying the basic field/flaw interactions in order to obtain a fuller understanding of non-destructive testing phenomena. Theoretical models of the forward problem are also useful for training and validation of automated defect detection systems. Theoretical models generate defect signatures that are expensive to replicate experimentally. In general, modelling methods can be classified into two categories: analytical and numerical. Although analytical approaches offer closed form solution, it is generally not possible to obtain largely due to the complex sample and defect geometries, especially in three-dimensional space. Numerical modelling has become popular with advances in computer technology and computational methods. However, due to the huge time consumption in the case of large scale problems, accelerations/fast solvers are needed to enhance numerical models. This dissertation describes a numerical simulation model for eddy current problems using finite element analysis. Validation of the accuracy of this model is demonstrated via comparison with experimental measurements of steam generator tube wall defects. These simulations generating two-dimension raster scan data typically takes one to two days on a dedicated eight-core PC. A novel direct integral solver for eddy current problems and GPU-based implementation is also investigated in this research to reduce the computational time.

A computer-based physics laboratory apparatus: Signal generator software

NASA Astrophysics Data System (ADS)

Thanakittiviroon, Tharest; Liangrocapart, Sompong

2005-09-01

This paper describes a computer-based physics laboratory apparatus to replace expensive instruments such as high-precision signal generators. This apparatus uses a sound card in a common personal computer to give sinusoidal signals with an accurate frequency that can be programmed to give different frequency signals repeatedly. An experiment on standing waves on an oscillating string uses this apparatus. In conjunction with interactive lab manuals, which have been developed using personal computers in our university, we achieve a complete set of low-cost, accurate, and easy-to-use equipment for teaching a physics laboratory.

A Toolkit for ARB to Integrate Custom Databases and Externally Built Phylogenies

DOE PAGES

Essinger, Steven D.; Reichenberger, Erin; Morrison, Calvin; ...

2015-01-21

Researchers are perpetually amassing biological sequence data. The computational approaches employed by ecologists for organizing this data (e.g. alignment, phylogeny, etc.) typically scale nonlinearly in execution time with the size of the dataset. This often serves as a bottleneck for processing experimental data since many molecular studies are characterized by massive datasets. To keep up with experimental data demands, ecologists are forced to choose between continually upgrading expensive in-house computer hardware or outsourcing the most demanding computations to the cloud. Outsourcing is attractive since it is the least expensive option, but does not necessarily allow direct user interaction with themore » data for exploratory analysis. Desktop analytical tools such as ARB are indispensable for this purpose, but they do not necessarily offer a convenient solution for the coordination and integration of datasets between local and outsourced destinations. Therefore, researchers are currently left with an undesirable tradeoff between computational throughput and analytical capability. To mitigate this tradeoff we introduce a software package to leverage the utility of the interactive exploratory tools offered by ARB with the computational throughput of cloud-based resources. Our pipeline serves as middleware between the desktop and the cloud allowing researchers to form local custom databases containing sequences and metadata from multiple resources and a method for linking data outsourced for computation back to the local database. Furthermore, a tutorial implementation of the toolkit is provided in the supporting information, S1 Tutorial.« less

A Toolkit for ARB to Integrate Custom Databases and Externally Built Phylogenies

PubMed Central

Essinger, Steven D.; Reichenberger, Erin; Morrison, Calvin; Blackwood, Christopher B.; Rosen, Gail L.

2015-01-01

Researchers are perpetually amassing biological sequence data. The computational approaches employed by ecologists for organizing this data (e.g. alignment, phylogeny, etc.) typically scale nonlinearly in execution time with the size of the dataset. This often serves as a bottleneck for processing experimental data since many molecular studies are characterized by massive datasets. To keep up with experimental data demands, ecologists are forced to choose between continually upgrading expensive in-house computer hardware or outsourcing the most demanding computations to the cloud. Outsourcing is attractive since it is the least expensive option, but does not necessarily allow direct user interaction with the data for exploratory analysis. Desktop analytical tools such as ARB are indispensable for this purpose, but they do not necessarily offer a convenient solution for the coordination and integration of datasets between local and outsourced destinations. Therefore, researchers are currently left with an undesirable tradeoff between computational throughput and analytical capability. To mitigate this tradeoff we introduce a software package to leverage the utility of the interactive exploratory tools offered by ARB with the computational throughput of cloud-based resources. Our pipeline serves as middleware between the desktop and the cloud allowing researchers to form local custom databases containing sequences and metadata from multiple resources and a method for linking data outsourced for computation back to the local database. A tutorial implementation of the toolkit is provided in the supporting information, S1 Tutorial. Availability: http://www.ece.drexel.edu/gailr/EESI/tutorial.php. PMID:25607539

An approach to the design of wide-angle optical systems with special illumination and IFOV requirements

NASA Astrophysics Data System (ADS)

Pravdivtsev, Andrey V.

2012-06-01

The article presents the approach to the design wide-angle optical systems with special illumination and instantaneous field of view (IFOV) requirements. The unevenness of illumination reduces the dynamic range of the system, which negatively influence on the system ability to perform their task. The result illumination on the detector depends among other factors from the IFOV changes. It is also necessary to consider IFOV in the synthesis of data processing algorithms, as it directly affects to the potential "signal/background" ratio for the case of statistically homogeneous backgrounds. A numerical-analytical approach that simplifies the design of wideangle optical systems with special illumination and IFOV requirements is presented. The solution can be used for optical systems which field of view greater than 180 degrees. Illumination calculation in optical CAD is based on computationally expensive tracing of large number of rays. The author proposes to use analytical expression for some characteristics which illumination depends on. The rest characteristic are determined numerically in calculation with less computationally expensive operands, the calculation performs not every optimization step. The results of analytical calculation inserts in the merit function of optical CAD optimizer. As a result we reduce the optimizer load, since using less computationally expensive operands. It allows reducing time and resources required to develop a system with the desired characteristics. The proposed approach simplifies the creation and understanding of the requirements for the quality of the optical system, reduces the time and resources required to develop an optical system, and allows creating more efficient EOS.

A Method for Aircraft Concept Selection Using Multicriteria Interactive Genetic Algorithms

NASA Technical Reports Server (NTRS)

Buonanno, Michael; Mavris, Dimitri

2005-01-01

The problem of aircraft concept selection has become increasingly difficult in recent years as a result of a change from performance as the primary evaluation criteria of aircraft concepts to the current situation in which environmental effects, economics, and aesthetics must also be evaluated and considered in the earliest stages of the decision-making process. This has prompted a shift from design using historical data regression techniques for metric prediction to the use of physics-based analysis tools that are capable of analyzing designs outside of the historical database. The use of optimization methods with these physics-based tools, however, has proven difficult because of the tendency of optimizers to exploit assumptions present in the models and drive the design towards a solution which, while promising to the computer, may be infeasible due to factors not considered by the computer codes. In addition to this difficulty, the number of discrete options available at this stage may be unmanageable due to the combinatorial nature of the concept selection problem, leading the analyst to arbitrarily choose a sub-optimum baseline vehicle. These concept decisions such as the type of control surface scheme to use, though extremely important, are frequently made without sufficient understanding of their impact on the important system metrics because of a lack of computational resources or analysis tools. This paper describes a hybrid subjective/quantitative optimization method and its application to the concept selection of a Small Supersonic Transport. The method uses Genetic Algorithms to operate on a population of designs and promote improvement by varying more than sixty parameters governing the vehicle geometry, mission, and requirements. In addition to using computer codes for evaluation of quantitative criteria such as gross weight, expert input is also considered to account for criteria such as aeroelasticity or manufacturability which may be impossible or too computationally expensive to consider explicitly in the analysis. Results indicate that concepts resulting from the use of this method represent designs which are promising to both the computer and the analyst, and that a mapping between concepts and requirements that would not otherwise be apparent is revealed.

Scheduling structural health monitoring activities for optimizing life-cycle costs and reliability of wind turbines

NASA Astrophysics Data System (ADS)

Hanish Nithin, Anu; Omenzetter, Piotr

2017-04-01

Optimization of the life-cycle costs and reliability of offshore wind turbines (OWTs) is an area of immense interest due to the widespread increase in wind power generation across the world. Most of the existing studies have used structural reliability and the Bayesian pre-posterior analysis for optimization. This paper proposes an extension to the previous approaches in a framework for probabilistic optimization of the total life-cycle costs and reliability of OWTs by combining the elements of structural reliability/risk analysis (SRA), the Bayesian pre-posterior analysis with optimization through a genetic algorithm (GA). The SRA techniques are adopted to compute the probabilities of damage occurrence and failure associated with the deterioration model. The probabilities are used in the decision tree and are updated using the Bayesian analysis. The output of this framework would determine the optimal structural health monitoring and maintenance schedules to be implemented during the life span of OWTs while maintaining a trade-off between the life-cycle costs and risk of the structural failure. Numerical illustrations with a generic deterioration model for one monitoring exercise in the life cycle of a system are demonstrated. Two case scenarios, namely to build initially an expensive and robust or a cheaper but more quickly deteriorating structures and to adopt expensive monitoring system, are presented to aid in the decision-making process.

Attitude to the Use of the Computer for Learning Biological Concepts and Achievement of Students in an Environment Dominated by Indigenous Technology.

ERIC Educational Resources Information Center

Jegede, Olugbemiro J.; And Others

The use of computers to facilitate learning is yet to make an appreciable in-road into the teaching-learning process in most developing Third World countries. The purchase cost and maintenance expenses of the equipment are the major inhibiting factors related to adoption of this high technology in these countries. This study investigated: (1) the…

Analysis of Disaster Preparedness Planning Measures in DoD Computer Facilities

DTIC Science & Technology

1993-09-01

city, stae, aod ZP code) 10 Source of Funding Numbers SProgram Element No lProject No ITask No lWork Unit Accesion I 11 Title include security...Computer Disaster Recovery .... 13 a. PC and LAN Lessons Learned . . ..... 13 2. Distributed Architectures . . . .. . 14 3. Backups...amount of expense, but no client problems." (Leeke, 1993, p. 8) 2. Distributed Architectures The majority of operations that were disrupted by the

Network Support for Group Coordination

DTIC Science & Technology

2000-01-01

telecommuting and ubiquitous computing [40], the advent of networked multimedia, and less expensive technology have shifted telecollaboration into...of Computer Engineering,Santa Cruz,CA,95064 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/ MONITORING AGENCY NAME(S) AND ADDRESS(ES) 10...participants A and B, the payoff structure for choosing two actions i and j is P = Aij + Bij . If P = 0, then the interaction is called a zero -sum game, and

High-Fidelity Simulations of Electromagnetic Propagation and RF Communication Systems

DTIC Science & Technology

2017-05-01

addition to high -fidelity RF propagation modeling, lower-fidelity mod- els, which are less computationally burdensome, are available via a C++ API...expensive to perform, requiring roughly one hour of computer time with 36 available cores and ray tracing per- formed by a single high -end GPU...ER D C TR -1 7- 2 Military Engineering Applied Research High -Fidelity Simulations of Electromagnetic Propagation and RF Communication

Development of Multidisciplinary, Multifidelity Analysis, Integration, and Optimization of Aerospace Vehicles

DTIC Science & Technology

2010-02-27

investigated in more detail. The intermediate level of fidelity, though more expensive, is then used to refine the analysis , add geometric detail, and...design stage is used to further refine the analysis , narrowing the design to a handful of options. Figure 1. Integrated Hierarchical Framework. In...computational structural and computational fluid modeling. For the structural analysis tool we used McIntosh Structural Dynamics’ finite element code CNEVAL

COST FUNCTION STUDIES FOR POWER REACTORS

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

Heestand, J.; Wos, L.T.

1961-11-01

A function to evaluate the cost of electricity produced by a nuclear power reactor was developed. The basic equation, revenue = capital charges + profit + operating expenses, was expanded in terms of various cost parameters to enable analysis of multiregion nuclear reactors with uranium and/or plutonium for fuel. A corresponding IBM 704 computer program, which will compute either the price of electricity or the value of plutonium, is presented in detail. (auth)

Sensitivity analysis and approximation methods for general eigenvalue problems

NASA Technical Reports Server (NTRS)

Murthy, D. V.; Haftka, R. T.

1986-01-01

Optimization of dynamic systems involving complex non-hermitian matrices is often computationally expensive. Major contributors to the computational expense are the sensitivity analysis and reanalysis of a modified design. The present work seeks to alleviate this computational burden by identifying efficient sensitivity analysis and approximate reanalysis methods. For the algebraic eigenvalue problem involving non-hermitian matrices, algorithms for sensitivity analysis and approximate reanalysis are classified, compared and evaluated for efficiency and accuracy. Proper eigenvector normalization is discussed. An improved method for calculating derivatives of eigenvectors is proposed based on a more rational normalization condition and taking advantage of matrix sparsity. Important numerical aspects of this method are also discussed. To alleviate the problem of reanalysis, various approximation methods for eigenvalues are proposed and evaluated. Linear and quadratic approximations are based directly on the Taylor series. Several approximation methods are developed based on the generalized Rayleigh quotient for the eigenvalue problem. Approximation methods based on trace theorem give high accuracy without needing any derivatives. Operation counts for the computation of the approximations are given. General recommendations are made for the selection of appropriate approximation technique as a function of the matrix size, number of design variables, number of eigenvalues of interest and the number of design points at which approximation is sought.

Fast perceptual image hash based on cascade algorithm

NASA Astrophysics Data System (ADS)

Ruchay, Alexey; Kober, Vitaly; Yavtushenko, Evgeniya

2017-09-01

In this paper, we propose a perceptual image hash algorithm based on cascade algorithm, which can be applied in image authentication, retrieval, and indexing. Image perceptual hash uses for image retrieval in sense of human perception against distortions caused by compression, noise, common signal processing and geometrical modifications. The main disadvantage of perceptual hash is high time expenses. In the proposed cascade algorithm of image retrieval initializes with short hashes, and then a full hash is applied to the processed results. Computer simulation results show that the proposed hash algorithm yields a good performance in terms of robustness, discriminability, and time expenses.

Algorithm and code development for unsteady three-dimensional Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Obayashi, Shigeru

1993-01-01

In the last two decades, there have been extensive developments in computational aerodynamics, which constitutes a major part of the general area of computational fluid dynamics. Such developments are essential to advance the understanding of the physics of complex flows, to complement expensive wind-tunnel tests, and to reduce the overall design cost of an aircraft, particularly in the area of aeroelasticity. Aeroelasticity plays an important role in the design and development of aircraft, particularly modern aircraft, which tend to be more flexible. Several phenomena that can be dangerous and limit the performance of an aircraft occur because of the interaction of the flow with flexible components. For example, an aircraft with highly swept wings may experience vortex-induced aeroelastic oscillations. Also, undesirable aeroelastic phenomena due to the presence and movement of shock waves occur in the transonic range. Aeroelastically critical phenomena, such as a low transonic flutter speed, have been known to occur through limited wind-tunnel tests and flight tests. Aeroelastic tests require extensive cost and risk. An aeroelastic wind-tunnel experiment is an order of magnitude more expensive than a parallel experiment involving only aerodynamics. By complementing the wind-tunnel experiments with numerical simulations the overall cost of the development of aircraft can be considerably reduced. In order to accurately compute aeroelastic phenomenon it is necessary to solve the unsteady Euler/Navier-Stokes equations simultaneously with the structural equations of motion. These equations accurately describe the flow phenomena for aeroelastic applications. At Ames a code, ENSAERO, is being developed for computing the unsteady aerodynamics and aeroelasticity of aircraft and it solves the Euler/Navier-Stokes equations. The purpose of this contract is to continue the algorithm enhancements of ENSAERO and to apply the code to complicated geometries. During the last year, the geometric capability of the code was extended to simulate transonic flows, a wing with oscillating control surface. Single-grid and zonal approaches were tested. For the zonal approach, a new interpolation technique was introduced. The key development of the algorithm was an interface treatment between moving zones for a control surface using the virtual-zone concept. The work performed during the period, 1 Apr. 1992 through 31 Mar. 1993 is summarized. Additional details on the various aspects of the study are given in the Appendices.

Musrfit-Real Time Parameter Fitting Using GPUs

NASA Astrophysics Data System (ADS)

Locans, Uldis; Suter, Andreas

High transverse field μSR (HTF-μSR) experiments typically lead to a rather large data sets, since it is necessary to follow the high frequencies present in the positron decay histograms. The analysis of these data sets can be very time consuming, usually due to the limited computational power of the hardware. To overcome the limited computing resources rotating reference frame transformation (RRF) is often used to reduce the data sets that need to be handled. This comes at a price typically the μSR community is not aware of: (i) due to the RRF transformation the fitting parameter estimate is of poorer precision, i.e., more extended expensive beamtime is needed. (ii) RRF introduces systematic errors which hampers the statistical interpretation of χ2 or the maximum log-likelihood. We will briefly discuss these issues in a non-exhaustive practical way. The only and single purpose of the RRF transformation is the sluggish computer power. Therefore during this work GPU (Graphical Processing Units) based fitting was developed which allows to perform real-time full data analysis without RRF. GPUs have become increasingly popular in scientific computing in recent years. Due to their highly parallel architecture they provide the opportunity to accelerate many applications with considerably less costs than upgrading the CPU computational power. With the emergence of frameworks such as CUDA and OpenCL these devices have become more easily programmable. During this work GPU support was added to Musrfit- a data analysis framework for μSR experiments. The new fitting algorithm uses CUDA or OpenCL to offload the most time consuming parts of the calculations to Nvidia or AMD GPUs. Using the current CPU implementation in Musrfit parameter fitting can take hours for certain data sets while the GPU version can allow to perform real-time data analysis on the same data sets. This work describes the challenges that arise in adding the GPU support to t as well as results obtained using the GPU version. The speedups using the GPU were measured comparing to the CPU implementation. Two different GPUs were used for the comparison — high end Nvidia Tesla K40c GPU designed for HPC applications and AMD Radeon R9 390× GPU designed for gaming industry.

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

Efficient computation of electrograms and ECGs in human whole heart simulations using a reaction-eikonal model.

PubMed

Neic, Aurel; Campos, Fernando O; Prassl, Anton J; Niederer, Steven A; Bishop, Martin J; Vigmond, Edward J; Plank, Gernot

2017-10-01

Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient. However, while the personalization of electrophysiology models based on the gold standard bidomain formulation is in principle feasible, the associated computational expenses are significant, rendering their use incompatible with clinical time frames. In this study we report on the development of a novel computationally efficient reaction-eikonal (R-E) model for modeling extracellular potential maps and electrograms. Using a biventricular human electrophysiology model, which incorporates a topologically realistic His-Purkinje system (HPS), we demonstrate by comparing against a high-resolution reaction-diffusion (R-D) bidomain model that the R-E model predicts extracellular potential fields, electrograms as well as ECGs at the body surface with high fidelity and offers vast computational savings greater than three orders of magnitude. Due to their efficiency R-E models are ideally suitable for forward simulations in clinical modeling studies which attempt to personalize electrophysiological model features.

Efficient computation of electrograms and ECGs in human whole heart simulations using a reaction-eikonal model

NASA Astrophysics Data System (ADS)

Neic, Aurel; Campos, Fernando O.; Prassl, Anton J.; Niederer, Steven A.; Bishop, Martin J.; Vigmond, Edward J.; Plank, Gernot

2017-10-01

Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient. However, while the personalization of electrophysiology models based on the gold standard bidomain formulation is in principle feasible, the associated computational expenses are significant, rendering their use incompatible with clinical time frames. In this study we report on the development of a novel computationally efficient reaction-eikonal (R-E) model for modeling extracellular potential maps and electrograms. Using a biventricular human electrophysiology model, which incorporates a topologically realistic His-Purkinje system (HPS), we demonstrate by comparing against a high-resolution reaction-diffusion (R-D) bidomain model that the R-E model predicts extracellular potential fields, electrograms as well as ECGs at the body surface with high fidelity and offers vast computational savings greater than three orders of magnitude. Due to their efficiency R-E models are ideally suitable for forward simulations in clinical modeling studies which attempt to personalize electrophysiological model features.

The Unified Floating Point Vector Coprocessor for Reconfigurable Hardware

NASA Astrophysics Data System (ADS)

Kathiara, Jainik

There has been an increased interest recently in using embedded cores on FPGAs. Many of the applications that make use of these cores have floating point operations. Due to the complexity and expense of floating point hardware, these algorithms are usually converted to fixed point operations or implemented using floating-point emulation in software. As the technology advances, more and more homogeneous computational resources and fixed function embedded blocks are added to FPGAs and hence implementation of floating point hardware becomes a feasible option. In this research we have implemented a high performance, autonomous floating point vector Coprocessor (FPVC) that works independently within an embedded processor system. We have presented a unified approach to vector and scalar computation, using a single register file for both scalar operands and vector elements. The Hybrid vector/SIMD computational model of FPVC results in greater overall performance for most applications along with improved peak performance compared to other approaches. By parameterizing vector length and the number of vector lanes, we can design an application specific FPVC and take optimal advantage of the FPGA fabric. For this research we have also initiated designing a software library for various computational kernels, each of which adapts FPVC's configuration and provide maximal performance. The kernels implemented are from the area of linear algebra and include matrix multiplication and QR and Cholesky decomposition. We have demonstrated the operation of FPVC on a Xilinx Virtex 5 using the embedded PowerPC.

CORDIC-based digital signal processing (DSP) element for adaptive signal processing

NASA Astrophysics Data System (ADS)

Bolstad, Gregory D.; Neeld, Kenneth B.

1995-04-01

The High Performance Adaptive Weight Computation (HAWC) processing element is a CORDIC based application specific DSP element that, when connected in a linear array, can perform extremely high throughput (100s of GFLOPS) matrix arithmetic operations on linear systems of equations in real time. In particular, it very efficiently performs the numerically intense computation of optimal least squares solutions for large, over-determined linear systems. Most techniques for computing solutions to these types of problems have used either a hard-wired, non-programmable systolic array approach, or more commonly, programmable DSP or microprocessor approaches. The custom logic methods can be efficient, but are generally inflexible. Approaches using multiple programmable generic DSP devices are very flexible, but suffer from poor efficiency and high computation latencies, primarily due to the large number of DSP devices that must be utilized to achieve the necessary arithmetic throughput. The HAWC processor is implemented as a highly optimized systolic array, yet retains some of the flexibility of a programmable data-flow system, allowing efficient implementation of algorithm variations. This provides flexible matrix processing capabilities that are one to three orders of magnitude less expensive and more dense than the current state of the art, and more importantly, allows a realizable solution to matrix processing problems that were previously considered impractical to physically implement. HAWC has direct applications in RADAR, SONAR, communications, and image processing, as well as in many other types of systems.

Accelerating Multiagent Reinforcement Learning by Equilibrium Transfer.

PubMed

Hu, Yujing; Gao, Yang; An, Bo

2015-07-01

An important approach in multiagent reinforcement learning (MARL) is equilibrium-based MARL, which adopts equilibrium solution concepts in game theory and requires agents to play equilibrium strategies at each state. However, most existing equilibrium-based MARL algorithms cannot scale due to a large number of computationally expensive equilibrium computations (e.g., computing Nash equilibria is PPAD-hard) during learning. For the first time, this paper finds that during the learning process of equilibrium-based MARL, the one-shot games corresponding to each state's successive visits often have the same or similar equilibria (for some states more than 90% of games corresponding to successive visits have similar equilibria). Inspired by this observation, this paper proposes to use equilibrium transfer to accelerate equilibrium-based MARL. The key idea of equilibrium transfer is to reuse previously computed equilibria when each agent has a small incentive to deviate. By introducing transfer loss and transfer condition, a novel framework called equilibrium transfer-based MARL is proposed. We prove that although equilibrium transfer brings transfer loss, equilibrium-based MARL algorithms can still converge to an equilibrium policy under certain assumptions. Experimental results in widely used benchmarks (e.g., grid world game, soccer game, and wall game) show that the proposed framework: 1) not only significantly accelerates equilibrium-based MARL (up to 96.7% reduction in learning time), but also achieves higher average rewards than algorithms without equilibrium transfer and 2) scales significantly better than algorithms without equilibrium transfer when the state/action space grows and the number of agents increases.

Loosely Coupled GPS-Aided Inertial Navigation System for Range Safety

NASA Technical Reports Server (NTRS)

Heatwole, Scott; Lanzi, Raymond J.

2010-01-01

The Autonomous Flight Safety System (AFSS) aims to replace the human element of range safety operations, as well as reduce reliance on expensive, downrange assets for launches of expendable launch vehicles (ELVs). The system consists of multiple navigation sensors and flight computers that provide a highly reliable platform. It is designed to ensure that single-event failures in a flight computer or sensor will not bring down the whole system. The flight computer uses a rules-based structure derived from range safety requirements to make decisions whether or not to destroy the rocket.

Application of the System Identification Technique to Goal-Directed Saccades.

DTIC Science & Technology

1984-07-30

1983 to May 31, 1984 by the AFOSR under Grant No. AFOSR-83-0187. 1. Salaries & Wages $7,257 2. Employee Benefits $ 4186 3. Indirect Costs $1,177 *’ 1...Equipment $2,127 DEC VT100 Terminal Computer Terminal Table & Chair Computer Interface 5. Travel $ 672 6. Miscellaneous Expenses 281 Computer Costs ...Telephone Xeroxing Report Costs Total $12,000 A 1cc;3t Ion r . ;. ., ’o n. e, Ef V r CI3 k.i *r 7’r’ ’ - s-I - . CLef • -- * 0 - -- -, r ~ 𔄁 . r w

GPSS/360 computer models to simulate aircraft passenger emergency evacuations.

DOT National Transportation Integrated Search

1972-09-01

Live tests of emergency evacuation of transport aircraft are becoming increasingly expensive as the planes grow to a size seating hundreds of passengers. Repeated tests, to cope with random variations, increase these costs, as well as risks of injuri...

Another View of "PC vs. Mac."

ERIC Educational Resources Information Center

DeMillion, John A.

1998-01-01

An article by Nan Wodarz in the November 1997 issue listed reasons why the Microsoft computer operating system was superior to the Apple Macintosh platform. This rebuttal contends the Macintosh is less expensive, lasts longer, and requires less technical staff for support. (MLF)

Experimental CAD Course Uses Low-Cost Systems.

ERIC Educational Resources Information Center

Wohlers, Terry

1984-01-01

Describes the outstanding results obtained when a department of industrial sciences used special software on microcomputers to teach computer-aided design (CAD) as an alternative to much more expensive equipment. The systems used and prospects for the future are also considered. (JN)

Highly Scalable Asynchronous Computing Method for Partial Differential Equations: A Path Towards Exascale

NASA Astrophysics Data System (ADS)

Konduri, Aditya

Many natural and engineering systems are governed by nonlinear partial differential equations (PDEs) which result in a multiscale phenomena, e.g. turbulent flows. Numerical simulations of these problems are computationally very expensive and demand for extreme levels of parallelism. At realistic conditions, simulations are being carried out on massively parallel computers with hundreds of thousands of processing elements (PEs). It has been observed that communication between PEs as well as their synchronization at these extreme scales take up a significant portion of the total simulation time and result in poor scalability of codes. This issue is likely to pose a bottleneck in scalability of codes on future Exascale systems. In this work, we propose an asynchronous computing algorithm based on widely used finite difference methods to solve PDEs in which synchronization between PEs due to communication is relaxed at a mathematical level. We show that while stability is conserved when schemes are used asynchronously, accuracy is greatly degraded. Since message arrivals at PEs are random processes, so is the behavior of the error. We propose a new statistical framework in which we show that average errors drop always to first-order regardless of the original scheme. We propose new asynchrony-tolerant schemes that maintain accuracy when synchronization is relaxed. The quality of the solution is shown to depend, not only on the physical phenomena and numerical schemes, but also on the characteristics of the computing machine. A novel algorithm using remote memory access communications has been developed to demonstrate excellent scalability of the method for large-scale computing. Finally, we present a path to extend this method in solving complex multi-scale problems on Exascale machines.

Subclinical mastitis in dairy animals: incidence, economics, and predisposing factors.

PubMed

Sinha, Mukesh Kr; Thombare, N N; Mondal, Biswajit

2014-01-01

A study was conducted to assess the incidence and economics of subclinical form of bovine mastitis in Central Region of India. Daily milk records of 187 animals during three seasons were collected and subjected to analysis. The economic loss due to reduction in yield, clinical expenses, and additional resources used were quantified and aggregated. The losses due to mastitis in monetary terms were estimated to be INR1390 per lactation, among which around 49% was owing to loss of value from milk and 37% on account of veterinary expenses. Higher losses were observed in crossbred cows due to their high production potential that was affected during mastitis period. The cost of treating an animal was estimated to be INR509 which includes cost of medicine (31.10%) and services (5.47%). Inadequate sanitation, hygiene, and veterinary services were the main predisposing factors for incidence and spread of mastitis as perceived by the respondents.

A Parallel, Multi-Scale Watershed-Hydrologic-Inundation Model with Adaptively Switching Mesh for Capturing Flooding and Lake Dynamics

NASA Astrophysics Data System (ADS)

Ji, X.; Shen, C.

2017-12-01

Flood inundation presents substantial societal hazards and also changes biogeochemistry for systems like the Amazon. It is often expensive to simulate high-resolution flood inundation and propagation in a long-term watershed-scale model. Due to the Courant-Friedrichs-Lewy (CFL) restriction, high resolution and large local flow velocity both demand prohibitively small time steps even for parallel codes. Here we develop a parallel surface-subsurface process-based model enhanced by multi-resolution meshes that are adaptively switched on or off. The high-resolution overland flow meshes are enabled only when the flood wave invades to floodplains. This model applies semi-implicit, semi-Lagrangian (SISL) scheme in solving dynamic wave equations, and with the assistant of the multi-mesh method, it also adaptively chooses the dynamic wave equation only in the area of deep inundation. Therefore, the model achieves a balance between accuracy and computational cost.

Standard software for automated testing of infrared imagers, IRWindows, in practical applications

NASA Astrophysics Data System (ADS)

Irwin, Alan; Nicklin, Robert L.

1998-08-01

In the past, ad-hoc and manual testing of infrared images hasn't been a deterrent to the characterization of these systems due to the low volume of production and high ratio of skilled personnel to the quantity of units under test. However, with higher volume production, increasing numbers of development labs in emerging markets, and the push towards less expensive, faster development cycles, there is a strong need for standardized testing that is quickly configurable by test engineers, which can be run by less experienced test technicians, and which produce repeatable, accurate results. The IRWindowsTM system addresses these needs using a standard computing platform and existing automated IR test equipment. This paper looks at the general capabilities of the IRWindowsTM system, and then examines the specific results from its application in the PalmIR and Automotive IR production environments.

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.

PubMed

Carlsson, Lars; Spjuth, Ola; Adams, Samuel; Glen, Robert C; Boyer, Scott

2010-07-01

Predicting metabolic sites is important in the drug discovery process to aid in rapid compound optimisation. No interactive tool exists and most of the useful tools are quite expensive. Here a fast and reliable method to analyse ligands and visualise potential metabolic sites is presented which is based on annotated metabolic data, described by circular fingerprints. The method is available via the graphical workbench Bioclipse, which is equipped with advanced features in cheminformatics. Due to the speed of predictions (less than 50 ms per molecule), scientists can get real time decision support when editing chemical structures. Bioclipse is a rich client, which means that all calculations are performed on the local computer and do not require network connection. Bioclipse and MetaPrint2D are free for all users, released under open source licenses, and available from http://www.bioclipse.net.

Agility in adversity: Vaccines on Demand.

PubMed

De Groot, Anne S; Moise, Leonard; Olive, David; Einck, Leo; Martin, William

2016-09-01

Is the US ready for a biological attack using Ebola virus or Anthrax? Will vaccine developers be able to produce a Zika virus vaccine, before the epidemic spreads around the world? A recent report by The Blue Ribbon Study Panel on Biodefense argues that the US is not ready for these challenges, however, technologies and capabilities that could address these deficiencies are within reach. Vaccine technologies have advanced and readiness has improved in recent years, due to advances in sequencing technology and computational power making the 'vaccines on demand' concept a reality. Building a robust strategy to design effective biodefense vaccines from genome sequences harvested by real-time biosurveillance will benefit from technologies that are being brought to bear on the cancer cure 'moonshot'. When combined with flexible vaccine production platforms, vaccines on demand will relegate expensive and, in some cases, insufficiently effective vaccine stockpiles to the dust heap of history.

Model Updating of Complex Structures Using the Combination of Component Mode Synthesis and Kriging Predictor

PubMed Central

Li, Yan; Wang, Dejun; Zhang, Shaoyi

2014-01-01

Updating the structural model of complex structures is time-consuming due to the large size of the finite element model (FEM). Using conventional methods for these cases is computationally expensive or even impossible. A two-level method, which combined the Kriging predictor and the component mode synthesis (CMS) technique, was proposed to ensure the successful implementing of FEM updating of large-scale structures. In the first level, the CMS was applied to build a reasonable condensed FEM of complex structures. In the second level, the Kriging predictor that was deemed as a surrogate FEM in structural dynamics was generated based on the condensed FEM. Some key issues of the application of the metamodel (surrogate FEM) to FEM updating were also discussed. Finally, the effectiveness of the proposed method was demonstrated by updating the FEM of a real arch bridge with the measured modal parameters. PMID:24634612

TRUSS: An intelligent design system for aircraft wings

NASA Technical Reports Server (NTRS)

Bates, Preston R.; Schrage, Daniel P.

1989-01-01

Competitive leadership in the international marketplace, superiority in national defense, excellence in productivity, and safety of both private and public systems are all national defense goals which are dependent on superior engineering design. In recent years, it has become more evident that early design decisions are critical, and when only based on performance often result in products which are too expensive, hard to manufacture, or unsupportable. Better use of computer-aided design tools and information-based technologies is required to produce better quality United States products. A program is outlined here to explore the use of knowledge based expert systems coupled with numerical optimization, database management techniques, and designer interface methods in a networked design environment to improve and assess design changes due to changing emphasis or requirements. The initial structural design of a tiltrotor aircraft wing is used as a representative example to demonstrate the approach being followed.

A finite element-boundary integral method for conformal antenna arrays on a circular cylinder

NASA Technical Reports Server (NTRS)

Kempel, Leo C.; Volakis, John L.; Woo, Alex C.; Yu, C. Long

1992-01-01

Conformal antenna arrays offer many cost and weight advantages over conventional antenna systems. In the past, antenna designers have had to resort to expensive measurements in order to develop a conformal array design. This is due to the lack of rigorous mathematical models for conformal antenna arrays, and as a result the design of conformal arrays is primarily based on planar antenna design concepts. Recently, we have found the finite element-boundary integral method to be very successful in modeling large planar arrays of arbitrary composition in a metallic plane. Herewith we shall extend this formulation for conformal arrays on large metallic cylinders. In this we develop the mathematical formulation. In particular we discuss the finite element equations, the shape elements, and the boundary integral evaluation, and it is shown how this formulation can be applied with minimal computation and memory requirements. The implementation shall be discussed in a later report.

A finite element-boundary integral method for conformal antenna arrays on a circular cylinder

NASA Technical Reports Server (NTRS)

Kempel, Leo C.; Volakis, John L.

1992-01-01

Conformal antenna arrays offer many cost and weight advantages over conventional antenna systems. In the past, antenna designers have had to resort to expensive measurements in order to develop a conformal array design. This was due to the lack of rigorous mathematical models for conformal antenna arrays. As a result, the design of conformal arrays was primarily based on planar antenna design concepts. Recently, we have found the finite element-boundary integral method to be very successful in modeling large planar arrays of arbitrary composition in a metallic plane. We are extending this formulation to conformal arrays on large metallic cylinders. In doing so, we will develop a mathematical formulation. In particular, we discuss the finite element equations, the shape elements, and the boundary integral evaluation. It is shown how this formulation can be applied with minimal computation and memory requirements.

GammaScorpion: mobile gamma-ray tomography system for early detection of basal stem rot in oil palm plantations

NASA Astrophysics Data System (ADS)

Abdullah, Jaafar; Hassan, Hearie; Shari, Mohamad Rabaie; Mohd, Salzali; Mustapha, Mahadi; Mahmood, Airwan Affendi; Jamaludin, Shahrizan; Ngah, Mohd Rosdi; Hamid, Noor Hisham

2013-03-01

Detection of the oil palm stem rot disease Ganoderma is a major issue in estate management and production in Malaysia. Conventional diagnostic techniques are difficult and time consuming when using visual inspection, and destructive and expensive when based on the chemical analysis of root or stem tissue. As an alternative, a transportable gamma-ray computed tomography system for the early detection of basal stem rot (BSR) of oil palms due to Ganoderma was developed locally at the Malaysian Nuclear Agency, Kajang, Malaysia. This system produces high quality tomographic images that clearly differentiate between healthy and Ganoderma infected oil palm stems. It has been successfully tested and used to detect the extent of BSR damage in oil palm plantations in Malaysia without the need to cut down the trees. This method offers promise for in situ inspection of oil palm stem diseases compared to the more conventional methods.

An efficient graph theory based method to identify every minimal reaction set in a metabolic network

PubMed Central

2014-01-01

Background Development of cells with minimal metabolic functionality is gaining importance due to their efficiency in producing chemicals and fuels. Existing computational methods to identify minimal reaction sets in metabolic networks are computationally expensive. Further, they identify only one of the several possible minimal reaction sets. Results In this paper, we propose an efficient graph theory based recursive optimization approach to identify all minimal reaction sets. Graph theoretical insights offer systematic methods to not only reduce the number of variables in math programming and increase its computational efficiency, but also provide efficient ways to find multiple optimal solutions. The efficacy of the proposed approach is demonstrated using case studies from Escherichia coli and Saccharomyces cerevisiae. In case study 1, the proposed method identified three minimal reaction sets each containing 38 reactions in Escherichia coli central metabolic network with 77 reactions. Analysis of these three minimal reaction sets revealed that one of them is more suitable for developing minimal metabolism cell compared to other two due to practically achievable internal flux distribution. In case study 2, the proposed method identified 256 minimal reaction sets from the Saccharomyces cerevisiae genome scale metabolic network with 620 reactions. The proposed method required only 4.5 hours to identify all the 256 minimal reaction sets and has shown a significant reduction (approximately 80%) in the solution time when compared to the existing methods for finding minimal reaction set. Conclusions Identification of all minimal reactions sets in metabolic networks is essential since different minimal reaction sets have different properties that effect the bioprocess development. The proposed method correctly identified all minimal reaction sets in a both the case studies. The proposed method is computationally efficient compared to other methods for finding minimal reaction sets and useful to employ with genome-scale metabolic networks. PMID:24594118

Progressive Damage and Failure Analysis of Composite Laminates

NASA Astrophysics Data System (ADS)

Joseph, Ashith P. K.

Composite materials are widely used in various industries for making structural parts due to higher strength to weight ratio, better fatigue life, corrosion resistance and material property tailorability. To fully exploit the capability of composites, it is required to know the load carrying capacity of the parts made of them. Unlike metals, composites are orthotropic in nature and fails in a complex manner under various loading conditions which makes it a hard problem to analyze. Lack of reliable and efficient failure analysis tools for composites have led industries to rely more on coupon and component level testing to estimate the design space. Due to the complex failure mechanisms, composite materials require a very large number of coupon level tests to fully characterize the behavior. This makes the entire testing process very time consuming and costly. The alternative is to use virtual testing tools which can predict the complex failure mechanisms accurately. This reduces the cost only to it's associated computational expenses making significant savings. Some of the most desired features in a virtual testing tool are - (1) Accurate representation of failure mechanism: Failure progression predicted by the virtual tool must be same as those observed in experiments. A tool has to be assessed based on the mechanisms it can capture. (2) Computational efficiency: The greatest advantages of a virtual tools are the savings in time and money and hence computational efficiency is one of the most needed features. (3) Applicability to a wide range of problems: Structural parts are subjected to a variety of loading conditions including static, dynamic and fatigue conditions. A good virtual testing tool should be able to make good predictions for all these different loading conditions. The aim of this PhD thesis is to develop a computational tool which can model the progressive failure of composite laminates under different quasi-static loading conditions. The analysis tool is validated by comparing the simulations against experiments for a selected number of quasi-static loading cases.

Reduced-Order Modeling: New Approaches for Computational Physics

NASA Technical Reports Server (NTRS)

Beran, Philip S.; Silva, Walter A.

2001-01-01

In this paper, we review the development of new reduced-order modeling techniques and discuss their applicability to various problems in computational physics. Emphasis is given to methods ba'sed on Volterra series representations and the proper orthogonal decomposition. Results are reported for different nonlinear systems to provide clear examples of the construction and use of reduced-order models, particularly in the multi-disciplinary field of computational aeroelasticity. Unsteady aerodynamic and aeroelastic behaviors of two- dimensional and three-dimensional geometries are described. Large increases in computational efficiency are obtained through the use of reduced-order models, thereby justifying the initial computational expense of constructing these models and inotivatim,- their use for multi-disciplinary design analysis.

GPU Accelerated Prognostics

NASA Technical Reports Server (NTRS)

Gorospe, George E., Jr.; Daigle, Matthew J.; Sankararaman, Shankar; Kulkarni, Chetan S.; Ng, Eley

2017-01-01

Prognostic methods enable operators and maintainers to predict the future performance for critical systems. However, these methods can be computationally expensive and may need to be performed each time new information about the system becomes available. In light of these computational requirements, we have investigated the application of graphics processing units (GPUs) as a computational platform for real-time prognostics. Recent advances in GPU technology have reduced cost and increased the computational capability of these highly parallel processing units, making them more attractive for the deployment of prognostic software. We present a survey of model-based prognostic algorithms with considerations for leveraging the parallel architecture of the GPU and a case study of GPU-accelerated battery prognostics with computational performance results.

Mapping detailed 3D information onto high resolution SAR signatures

NASA Astrophysics Data System (ADS)

Anglberger, H.; Speck, R.

2017-05-01

Due to challenges in the visual interpretation of radar signatures or in the subsequent information extraction, a fusion with other data sources can be beneficial. The most accurate basis for a fusion of any kind of remote sensing data is the mapping of the acquired 2D image space onto the true 3D geometry of the scenery. In the case of radar images this is a challenging task because the coordinate system is based on the measured range which causes ambiguous regions due to layover effects. This paper describes a method that accurately maps the detailed 3D information of a scene to the slantrange-based coordinate system of imaging radars. Due to this mapping all the contributing geometrical parts of one resolution cell can be determined in 3D space. The proposed method is highly efficient, because computationally expensive operations can be directly performed on graphics card hardware. The described approach builds a perfect basis for sophisticated methods to extract data from multiple complimentary sensors like from radar and optical images, especially because true 3D information from whole cities will be available in the near future. The performance of the developed methods will be demonstrated with high resolution radar data acquired by the space-borne SAR-sensor TerraSAR-X.

Exact consideration of data redundancies for spiral cone-beam CT

NASA Astrophysics Data System (ADS)

Lauritsch, Guenter; Katsevich, Alexander; Hirsch, Michael

2004-05-01

In multi-slice spiral computed tomography (CT) there is an obvious trend in adding more and more detector rows. The goals are numerous: volume coverage, isotropic spatial resolution, and speed. Consequently, there will be a variety of scan protocols optimizing clinical applications. Flexibility in table feed requires consideration of data redundancies to ensure efficient detector usage. Until recently this was achieved by approximate reconstruction algorithms only. However, due to the increasing cone angles there is a need of exact treatment of the cone beam geometry. A new, exact and efficient 3-PI algorithm for considering three-fold data redundancies was derived from a general, theoretical framework based on 3D Radon inversion using Grangeat's formula. The 3-PI algorithm possesses a simple and efficient structure as the 1-PI method for non-redundant data previously proposed. Filtering is one-dimensional, performed along lines with variable tilt on the detector. This talk deals with a thorough evaluation of the performance of the 3-PI algorithm in comparison to the 1-PI method. Image quality of the 3-PI algorithm is superior. The prominent spiral artifacts and other discretization artifacts are significantly reduced due to averaging effects when taking into account redundant data. Certainly signal-to-noise ratio is increased. The computational expense is comparable even to that of approximate algorithms. The 3-PI algorithm proves its practicability for applications in medical imaging. Other exact n-PI methods for n-fold data redundancies (n odd) can be deduced from the general, theoretical framework.

A large-scale simulation of climate change effects on flood regime - A case study for the Alabama-Coosa-Tallapoosa River Basin

NASA Astrophysics Data System (ADS)

Dullo, T. T.; Gangrade, S.; Marshall, R.; Islam, S. R.; Ghafoor, S. K.; Kao, S. C.; Kalyanapu, A. J.

2017-12-01

The damage and cost of flooding are continuously increasing due to climate change and variability, which compels the development and advance of global flood hazard models. However, due to computational expensiveness, evaluation of large-scale and high-resolution flood regime remains a challenge. The objective of this research is to use a coupled modeling framework that consists of a dynamically downscaled suite of eleven Coupled Model Intercomparison Project Phase 5 (CMIP5) climate models, a distributed hydrologic model called DHSVM, and a computational-efficient 2-dimensional hydraulic model called Flood2D-GPU to study the impacts of climate change on flood regime in the Alabama-Coosa-Tallapoosa (ACT) River Basin. Downscaled meteorologic forcings for 40 years in the historical period (1966-2005) and 40 years in the future period (2011-2050) were used as inputs to drive the calibrated DHSVM to generate annual maximum flood hydrographs. These flood hydrographs along with 30-m resolution digital elevation and estimated surface roughness were then used by Flood2D-GPU to estimate high-resolution flood depth, velocities, duration, and regime. Preliminary results for the Conasauga river basin (an upper subbasin within ACT) indicate that seven of the eleven climate projections show an average increase of 25 km2 in flooded area (between historic and future projections). Future work will focus on illustrating the effects of climate change on flood duration and area for the entire ACT basin.

A Finite Element Projection Method for the Solution of Particle Transport Problems with Anisotropic Scattering.

DTIC Science & Technology

1984-07-01

piecewise constant energy dependence. This is a seven-dimensional problem with time dependence, three spatial and two angular or directional variables and...in extending the computer implementation of the method to time and energy dependent problems, and to solving and validating this technique on a...problems they have severe limitations. The Monte Carlo method, usually requires the use of many hours of expensive computer time , and for deep

Topology Optimization for Reducing Additive Manufacturing Processing Distortions

DTIC Science & Technology

2017-12-01

features that curl or warp under thermal load and are subsequently struck by the recoater blade /roller. Support structures act to wick heat away and...was run for 150 iterations. The material properties for all examples were Young’s modulus E = 1 GPa, Poisson’s ratio ν = 0.25, and thermal expansion...the element-birth model is significantly more computationally expensive for a full op- timization run . Consider, the computational complexity of a

Detonation Propagation in Slabs and Axisymmetric Rate Sticks

NASA Astrophysics Data System (ADS)

Romick, Christopher; Aslam, Tariq

Insensitive high explosives (IHE) have many benefits; however, these IHEs exhibit longer reaction zones than more conventional high explosives (HE). This makes IHEs less ideal explosives and more susceptible to edge effects as well as other performance degradation issues. Thus, there is a resulting reduction in the detonation speed within the explosive. Many HE computational models, e. g. WSD, SURF, CREST, have shock-dependent reaction rates. This dependency places a high value on having an accurate shock speed. In the common practice of shock-capturing, there is ambiguity in the shock-state due to smoothing of the shock-front. Moreover, obtaining an accurate shock speed with shock-capturing becomes prohibitively computationally expensive in multiple dimensions. The use of shock-fitting removes the ambiguity of the shock-state as it is one of the boundaries. As such, the required resolution for a given error in the detonation speed is less than with shock-capturing. This allows for further insight into performance degradation. A two-dimensional shock-fitting scheme has been developed for unconfined slabs and rate sticks of HE. The HE modeling is accomplished by Euler equations utilizing several models with single-step irreversible kinetics in slab and rate stick geometries. Department of Energy - LANL.

An architecture for efficient gravitational wave parameter estimation with multimodal linear surrogate models

NASA Astrophysics Data System (ADS)

O'Shaughnessy, Richard; Blackman, Jonathan; Field, Scott E.

2017-07-01

The recent direct observation of gravitational waves has further emphasized the desire for fast, low-cost, and accurate methods to infer the parameters of gravitational wave sources. Due to expense in waveform generation and data handling, the cost of evaluating the likelihood function limits the computational performance of these calculations. Building on recently developed surrogate models and a novel parameter estimation pipeline, we show how to quickly generate the likelihood function as an analytic, closed-form expression. Using a straightforward variant of a production-scale parameter estimation code, we demonstrate our method using surrogate models of effective-one-body and numerical relativity waveforms. Our study is the first time these models have been used for parameter estimation and one of the first ever parameter estimation calculations with multi-modal numerical relativity waveforms, which include all \\ell ≤slant 4 modes. Our grid-free method enables rapid parameter estimation for any waveform with a suitable reduced-order model. The methods described in this paper may also find use in other data analysis studies, such as vetting coincident events or the computation of the coalescing-compact-binary detection statistic.

Renormalization group theory outperforms other approaches in statistical comparison between upscaling techniques for porous media

NASA Astrophysics Data System (ADS)

Hanasoge, Shravan; Agarwal, Umang; Tandon, Kunj; Koelman, J. M. Vianney A.

2017-09-01

Determining the pressure differential required to achieve a desired flow rate in a porous medium requires solving Darcy's law, a Laplace-like equation, with a spatially varying tensor permeability. In various scenarios, the permeability coefficient is sampled at high spatial resolution, which makes solving Darcy's equation numerically prohibitively expensive. As a consequence, much effort has gone into creating upscaled or low-resolution effective models of the coefficient while ensuring that the estimated flow rate is well reproduced, bringing to the fore the classic tradeoff between computational cost and numerical accuracy. Here we perform a statistical study to characterize the relative success of upscaling methods on a large sample of permeability coefficients that are above the percolation threshold. We introduce a technique based on mode-elimination renormalization group theory (MG) to build coarse-scale permeability coefficients. Comparing the results with coefficients upscaled using other methods, we find that MG is consistently more accurate, particularly due to its ability to address the tensorial nature of the coefficients. MG places a low computational demand, in the manner in which we have implemented it, and accurate flow-rate estimates are obtained when using MG-upscaled permeabilities that approach or are beyond the percolation threshold.

Accelerating the Gillespie Exact Stochastic Simulation Algorithm using hybrid parallel execution on graphics processing units.

PubMed

Komarov, Ivan; D'Souza, Roshan M

2012-01-01

The Gillespie Stochastic Simulation Algorithm (GSSA) and its variants are cornerstone techniques to simulate reaction kinetics in situations where the concentration of the reactant is too low to allow deterministic techniques such as differential equations. The inherent limitations of the GSSA include the time required for executing a single run and the need for multiple runs for parameter sweep exercises due to the stochastic nature of the simulation. Even very efficient variants of GSSA are prohibitively expensive to compute and perform parameter sweeps. Here we present a novel variant of the exact GSSA that is amenable to acceleration by using graphics processing units (GPUs). We parallelize the execution of a single realization across threads in a warp (fine-grained parallelism). A warp is a collection of threads that are executed synchronously on a single multi-processor. Warps executing in parallel on different multi-processors (coarse-grained parallelism) simultaneously generate multiple trajectories. Novel data-structures and algorithms reduce memory traffic, which is the bottleneck in computing the GSSA. Our benchmarks show an 8×-120× performance gain over various state-of-the-art serial algorithms when simulating different types of models.

A Distance Measure for Genome Phylogenetic Analysis

NASA Astrophysics Data System (ADS)

Cao, Minh Duc; Allison, Lloyd; Dix, Trevor

Phylogenetic analyses of species based on single genes or parts of the genomes are often inconsistent because of factors such as variable rates of evolution and horizontal gene transfer. The availability of more and more sequenced genomes allows phylogeny construction from complete genomes that is less sensitive to such inconsistency. For such long sequences, construction methods like maximum parsimony and maximum likelihood are often not possible due to their intensive computational requirement. Another class of tree construction methods, namely distance-based methods, require a measure of distances between any two genomes. Some measures such as evolutionary edit distance of gene order and gene content are computational expensive or do not perform well when the gene content of the organisms are similar. This study presents an information theoretic measure of genetic distances between genomes based on the biological compression algorithm expert model. We demonstrate that our distance measure can be applied to reconstruct the consensus phylogenetic tree of a number of Plasmodium parasites from their genomes, the statistical bias of which would mislead conventional analysis methods. Our approach is also used to successfully construct a plausible evolutionary tree for the γ-Proteobacteria group whose genomes are known to contain many horizontally transferred genes.

Identification of informative features for predicting proinflammatory potentials of engine exhausts.

PubMed

Wang, Chia-Chi; Lin, Ying-Chi; Lin, Yuan-Chung; Jhang, Syu-Ruei; Tung, Chun-Wei

2017-08-18

The immunotoxicity of engine exhausts is of high concern to human health due to the increasing prevalence of immune-related diseases. However, the evaluation of immunotoxicity of engine exhausts is currently based on expensive and time-consuming experiments. It is desirable to develop efficient methods for immunotoxicity assessment. To accelerate the development of safe alternative fuels, this study proposed a computational method for identifying informative features for predicting proinflammatory potentials of engine exhausts. A principal component regression (PCR) algorithm was applied to develop prediction models. The informative features were identified by a sequential backward feature elimination (SBFE) algorithm. A total of 19 informative chemical and biological features were successfully identified by SBFE algorithm. The informative features were utilized to develop a computational method named FS-CBM for predicting proinflammatory potentials of engine exhausts. FS-CBM model achieved a high performance with correlation coefficient values of 0.997 and 0.943 obtained from training and independent test sets, respectively. The FS-CBM model was developed for predicting proinflammatory potentials of engine exhausts with a large improvement on prediction performance compared with our previous CBM model. The proposed method could be further applied to construct models for bioactivities of mixtures.

Bit-mapped Holograms Using Phase Transition Mastering (PTM) and Blu-ray Disks

NASA Astrophysics Data System (ADS)

Barnhart, Donald

2013-02-01

Due to recent advances made in data storage, cloud computing, and Blu-ray mastering technology, it is now straight forward to calculate, store, transfer, and print bitmapped holograms that use terabytes of data and tera-pixels of information. This presentation reports on the potential of using the phase transition mastering (PTM) process to construct bitmapped, computer generated holograms with spatial resolutions of 5000 line-pairs/mm (70 nm pixel width). In particular, for Blu-ray disk production, Sony has developed a complete process that could be alternately deployed in holographic applications. The PTM process uses a 405 nm laser to write phase patterns onto a layer of imperfect transition metal oxides that is deposited onto an 8 inch silicon wafer. After the master hologram has been constructed, its imprint can then be cheaply mass produced with the same process as Blu-ray disks or embossed holograms. Unlike traditional binary holograms made with expensive e-beam lithography, the PTM process has the potential for multiple phase levels using inexpensive optics similar to consumer-grade desktop Blu-ray writers. This PTM process could revolutionise holography for entertainment, industrial, and scientific applications.

A Fast Surrogate-facilitated Data-driven Bayesian Approach to Uncertainty Quantification of a Regional Groundwater Flow Model with Structural Error

NASA Astrophysics Data System (ADS)

Xu, T.; Valocchi, A. J.; Ye, M.; Liang, F.

2016-12-01

Due to simplification and/or misrepresentation of the real aquifer system, numerical groundwater flow and solute transport models are usually subject to model structural error. During model calibration, the hydrogeological parameters may be overly adjusted to compensate for unknown structural error. This may result in biased predictions when models are used to forecast aquifer response to new forcing. In this study, we extend a fully Bayesian method [Xu and Valocchi, 2015] to calibrate a real-world, regional groundwater flow model. The method uses a data-driven error model to describe model structural error and jointly infers model parameters and structural error. In this study, Bayesian inference is facilitated using high performance computing and fast surrogate models. The surrogate models are constructed using machine learning techniques to emulate the response simulated by the computationally expensive groundwater model. We demonstrate in the real-world case study that explicitly accounting for model structural error yields parameter posterior distributions that are substantially different from those derived by the classical Bayesian calibration that does not account for model structural error. In addition, the Bayesian with error model method gives significantly more accurate prediction along with reasonable credible intervals.

Accelerating rejection-based simulation of biochemical reactions with bounded acceptance probability

NASA Astrophysics Data System (ADS)

Thanh, Vo Hong; Priami, Corrado; Zunino, Roberto

2016-06-01

Stochastic simulation of large biochemical reaction networks is often computationally expensive due to the disparate reaction rates and high variability of population of chemical species. An approach to accelerate the simulation is to allow multiple reaction firings before performing update by assuming that reaction propensities are changing of a negligible amount during a time interval. Species with small population in the firings of fast reactions significantly affect both performance and accuracy of this simulation approach. It is even worse when these small population species are involved in a large number of reactions. We present in this paper a new approximate algorithm to cope with this problem. It is based on bounding the acceptance probability of a reaction selected by the exact rejection-based simulation algorithm, which employs propensity bounds of reactions and the rejection-based mechanism to select next reaction firings. The reaction is ensured to be selected to fire with an acceptance rate greater than a predefined probability in which the selection becomes exact if the probability is set to one. Our new algorithm improves the computational cost for selecting the next reaction firing and reduces the updating the propensities of reactions.

Entropy-based heavy tailed distribution transformation and visual analytics for monitoring massive network traffic

NASA Astrophysics Data System (ADS)

Han, Keesook J.; Hodge, Matthew; Ross, Virginia W.

2011-06-01

For monitoring network traffic, there is an enormous cost in collecting, storing, and analyzing network traffic datasets. Data mining based network traffic analysis has a growing interest in the cyber security community, but is computationally expensive for finding correlations between attributes in massive network traffic datasets. To lower the cost and reduce computational complexity, it is desirable to perform feasible statistical processing on effective reduced datasets instead of on the original full datasets. Because of the dynamic behavior of network traffic, traffic traces exhibit mixtures of heavy tailed statistical distributions or overdispersion. Heavy tailed network traffic characterization and visualization are important and essential tasks to measure network performance for the Quality of Services. However, heavy tailed distributions are limited in their ability to characterize real-time network traffic due to the difficulty of parameter estimation. The Entropy-Based Heavy Tailed Distribution Transformation (EHTDT) was developed to convert the heavy tailed distribution into a transformed distribution to find the linear approximation. The EHTDT linearization has the advantage of being amenable to characterize and aggregate overdispersion of network traffic in realtime. Results of applying the EHTDT for innovative visual analytics to real network traffic data are presented.

Accelerating rejection-based simulation of biochemical reactions with bounded acceptance probability

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

Thanh, Vo Hong, E-mail: vo@cosbi.eu; Priami, Corrado, E-mail: priami@cosbi.eu; Department of Mathematics, University of Trento, Trento

Stochastic simulation of large biochemical reaction networks is often computationally expensive due to the disparate reaction rates and high variability of population of chemical species. An approach to accelerate the simulation is to allow multiple reaction firings before performing update by assuming that reaction propensities are changing of a negligible amount during a time interval. Species with small population in the firings of fast reactions significantly affect both performance and accuracy of this simulation approach. It is even worse when these small population species are involved in a large number of reactions. We present in this paper a new approximatemore » algorithm to cope with this problem. It is based on bounding the acceptance probability of a reaction selected by the exact rejection-based simulation algorithm, which employs propensity bounds of reactions and the rejection-based mechanism to select next reaction firings. The reaction is ensured to be selected to fire with an acceptance rate greater than a predefined probability in which the selection becomes exact if the probability is set to one. Our new algorithm improves the computational cost for selecting the next reaction firing and reduces the updating the propensities of reactions.« less

Off-design Performance Analysis of Multi-Stage Transonic Axial Compressors

NASA Astrophysics Data System (ADS)

Du, W. H.; Wu, H.; Zhang, L.

Because of the complex flow fields and component interaction in modern gas turbine engines, they require extensive experiment to validate performance and stability. The experiment process can become expensive and complex. Modeling and simulation of gas turbine engines are way to reduce experiment costs, provide fidelity and enhance the quality of essential experiment. The flow field of a transonic compressor contains all the flow aspects, which are difficult to present-boundary layer transition and separation, shock-boundary layer interactions, and large flow unsteadiness. Accurate transonic axial compressor off-design performance prediction is especially difficult, due in large part to three-dimensional blade design and the resulting flow field. Although recent advancements in computer capacity have brought computational fluid dynamics to forefront of turbomachinery design and analysis, the grid and turbulence model still limit Reynolds-average Navier-Stokes (RANS) approximations in the multi-stage transonic axial compressor flow field. Streamline curvature methods are still the dominant numerical approach as an important tool for turbomachinery to analyze and design, and it is generally accepted that streamline curvature solution techniques will provide satisfactory flow prediction as long as the losses, deviation and blockage are accurately predicted.

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.

Cloud Computing with iPlant Atmosphere.

PubMed

McKay, Sheldon J; Skidmore, Edwin J; LaRose, Christopher J; Mercer, Andre W; Noutsos, Christos

2013-10-15

Cloud Computing refers to distributed computing platforms that use virtualization software to provide easy access to physical computing infrastructure and data storage, typically administered through a Web interface. Cloud-based computing provides access to powerful servers, with specific software and virtual hardware configurations, while eliminating the initial capital cost of expensive computers and reducing the ongoing operating costs of system administration, maintenance contracts, power consumption, and cooling. This eliminates a significant barrier to entry into bioinformatics and high-performance computing for many researchers. This is especially true of free or modestly priced cloud computing services. The iPlant Collaborative offers a free cloud computing service, Atmosphere, which allows users to easily create and use instances on virtual servers preconfigured for their analytical needs. Atmosphere is a self-service, on-demand platform for scientific computing. This unit demonstrates how to set up, access and use cloud computing in Atmosphere. Copyright © 2013 John Wiley & Sons, Inc.

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.

Alloy Design Data Generated for B2-Ordered Compounds

NASA Technical Reports Server (NTRS)

Noebe, Ronald D.; Bozzolo, Guillermo; Abel, Phillip B.

2003-01-01

Developing alloys based on ordered compounds is significantly more complicated than developing designs based on disordered materials. In ordered compounds, the major constituent elements reside on particular sublattices. Therefore, the addition of a ternary element to a binary-ordered compound is complicated by the manner in which the ternary addition is made (at the expense of which binary component). When ternary additions are substituted for the wrong constituent, the physical and mechanical properties usually degrade. In some cases the resulting degradation in properties can be quite severe. For example, adding alloying additions to NiAl in the wrong combination (i.e., alloying additions that prefer the Al sublattice but are added at the expense of Ni) will severely embrittle the alloy to the point that it can literally fall apart during processing on cooling from the molten state. Consequently, alloying additions that strongly prefer one sublattice over another should always be added at the expense of that component during alloy development. Elements that have a very weak preference for a sublattice can usually be safely added at the expense of either element and will accommodate any deviation from stoichiometry by filling in for the deficient component. Unfortunately, this type of information is not known beforehand for most ordered systems. Therefore, a computational survey study, using a recently developed quantum approximate method, was undertaken at the NASA Glenn Research Center to determine the preferred site occupancy of ternary alloying additions to 12 different B2-ordered compounds including NiAl, FeAl, CoAl, CoFe, CoHf, CoTi, FeTi, RuAl, RuSi, RuHf, RuTi, and RuZr. Some of these compounds are potential high temperature structural alloys; others are used in thin-film magnetic and other electronic applications. The results are summarized. The italicized elements represent the previous sum total alloying information known and verify the computational method used to establish the table. Details of the computational procedures used to determine the preferred site occupancy can be found in reference 2. As further substantiation of the validity of the technique, and its extension to even more complicated systems, it was applied to two simultaneous alloying additions in an ordered alloy.

SIMULATING ATMOSPHERIC EXPOSURE IN A NATIONAL RISK ASSESSMENT USING AN INNOVATIVE METEOROLOGICAL SAMPLING SCHEME

EPA Science Inventory

Multimedia risk assessments require the temporal integration of atmospheric concentration and deposition with other media modules. However, providing an extended time series of estimates is computationally expensive. An alternative approach is to substitute long-term average a...

COMPETITIVE METAGENOMIC DNA HYBRIDIZATION IDENTIFIES HOST-SPECIFIC GENETIC MARKERS IN HUMAN FECAL MICROBIAL COMMUNITIES

EPA Science Inventory

Although recent technological advances in DNA sequencing and computational biology now allow scientists to compare entire microbial genomes, the use of these approaches to discern key genomic differences between natural microbial communities remains prohibitively expensive for mo...

Desktop Publishing for Counselors.

ERIC Educational Resources Information Center

Lucking, Robert; Mitchum, Nancy

1990-01-01

Discusses the fundamentals of desktop publishing for counselors, including hardware and software systems and peripherals. Notes by using desktop publishing, counselors can produce their own high-quality documents without the expense of commercial printers. Concludes computers present a way of streamlining the communications of a counseling…

Use of off-the-shelf PC-based flight simulators for aviation human factors research.

DOT National Transportation Integrated Search

1996-04-01

Flight simulation has historically been an expensive proposition, particularly if out-the-window views were desired. Advances in computer technology have allowed a modular, off-the-shelf flight simulation (based on 80486 processors or Pentiums) to be...

Software Prototyping: Designing Systems for Users.

ERIC Educational Resources Information Center

Spies, Phyllis Bova

1983-01-01

Reports on major change in computer software development process--the prototype model, i.e., implementation of skeletal system that is enhanced during interaction with users. Expensive and unreliable software, software design errors, traditional development approach, resources required for prototyping, success stories, and systems designer's role…

Identification of Bacterial DNA Markers for the Detection of Human and Cattle Fecal Pollution - SLIDES

EPA Science Inventory

Technological advances in DNA sequencing and computational biology allow scientists to compare entire microbial genomes. However, the use of these approaches to discern key genomic differences between natural microbial communities remains prohibitively expensive for most laborato...

IDENTIFICATION OF BACTERIAL DNA MARKERS FOR THE DETECTION OF HUMAN AND CATTLE FECAL POLLUTION

EPA Science Inventory

Technological advances in DNA sequencing and computational biology allow scientists to compare entire microbial genomes. However, the use of these approaches to discern key genomic differences between natural microbial communities remains prohibitively expensive for most laborato...

Iterative framework radiation hybrid mapping

USDA-ARS?s Scientific Manuscript database

Building comprehensive radiation hybrid maps for large sets of markers is a computationally expensive process, since the basic mapping problem is equivalent to the traveling salesman problem. The mapping problem is also susceptible to noise, and as a result, it is often beneficial to remove markers ...

Physician Practice Information: The Practice Expenses and Characteristics of Sleep Medicine as Compared with Other AMA-Recognized Medical Specialties

PubMed Central

Blehart, Caroline

2009-01-01

Summary: This report introduces the Physician Practice Information (PPI) Survey and its findings. Background information on the PPI Survey is explained, as is the Survey's importance to the field of sleep medicine. Statistics reported by the Survey regarding Practice Expenses per Hour (PE/HR) for various specialties are analyzed in comparison with those reported specifically for sleep medicine. The similarities and differences between sleep medicine and all other medical specialties surveyed in terms of practice characteristics are also discussed. Analysis of PE/HR data found that sleep medicine payroll practice expenses are closest to those of obstetrics/gynecology, likely due to the employment of technologists in both fields. Regarding supplies and equipment expenses, sleep medicine is most similar to radiology, cardiology, and spine surgery, probably due to the use of disposable medical supplies. In terms of total PE/HR (less separately billable), sleep medicine is most like obstetrics/gynecology, orthopedic surgery, and otolaryngology. The full cause of this is undeterminable from the PPI Survey. Some areas of dissimilarity in regard to the practice characteristics of sleep physicians and all physicians surveyed across all specialties were found. Most of these fell in the area of “practice size and function of non-physician personnel.” Overall, the results of this section of the PPI Survey show that sleep medicine is practiced in a manner similar to that of the various specialty fields of all physicians surveyed across all specialties but still maintains some unique practice characteristics. Citation: Blehart C. Physician practice information: the practice expenses and characteristics of sleep medicine as compared with other AMA-recognized medical specialties. J Clin Sleep Med 2009;5(6):E1-E11.

Numerical Experiments with a Turbulent Single-Mode Rayleigh-Taylor Instability

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

Cloutman, L.D.

2000-04-01

Direct numerical simulation is a powerful tool for studying turbulent flows. Unfortunately, it is also computationally expensive and often beyond the reach of the largest, fastest computers. Consequently, a variety of turbulence models have been devised to allow tractable and affordable simulations of averaged flow fields. Unfortunately, these present a variety of practical difficulties, including the incorporation of varying degrees of empiricism and phenomenology, which leads to a lack of universality. This unsatisfactory state of affairs has led to the speculation that one can avoid the expense and bother of using a turbulence model by relying on the grid andmore » numerical diffusion of the computational fluid dynamics algorithm to introduce a spectral cutoff on the flow field and to provide dissipation at the grid scale, thereby mimicking two main effects of a large eddy simulation model. This paper shows numerical examples of a single-mode Rayleigh-Taylor instability in which this procedure produces questionable results. We then show a dramatic improvement when two simple subgrid-scale models are employed. This study also illustrates the extreme sensitivity to initial conditions that is a common feature of turbulent flows.« less

Using Reconstructed POD Modes as Turbulent Inflow for LES Wind Turbine Simulations

NASA Astrophysics Data System (ADS)

Nielson, Jordan; Bhaganagar, Kiran; Juttijudata, Vejapong; Sirisup, Sirod

2016-11-01

Currently, in order to get realistic atmospheric effects of turbulence, wind turbine LES simulations require computationally expensive precursor simulations. At times, the precursor simulation is more computationally expensive than the wind turbine simulation. The precursor simulations are important because they capture turbulence in the atmosphere and as stated above, turbulence impacts the power production estimation. On the other hand, POD analysis has been shown to be capable of capturing turbulent structures. The current study was performed to determine the plausibility of using lower dimension models from POD analysis of LES simulations as turbulent inflow to wind turbine LES simulations. The study will aid the wind energy community by lowering the computational cost of full scale wind turbine LES simulations, while maintaining a high level of turbulent information and being able to quickly apply the turbulent inflow to multi turbine wind farms. This will be done by comparing a pure LES precursor wind turbine simulation with simulations that use reduced POD mod inflow conditions. The study shows the feasibility of using lower dimension models as turbulent inflow of LES wind turbine simulations. Overall the power production estimation and velocity field of the wind turbine wake are well captured with small errors.

A glacier runoff extension to the Precipitation Runoff Modeling System

USGS Publications Warehouse

Van Beusekom, Ashley E.; Viger, Roland

2016-01-01

A module to simulate glacier runoff, PRMSglacier, was added to PRMS (Precipitation Runoff Modeling System), a distributed-parameter, physical-process hydrological simulation code. The extension does not require extensive on-glacier measurements or computational expense but still relies on physical principles over empirical relations as much as is feasible while maintaining model usability. PRMSglacier is validated on two basins in Alaska, Wolverine, and Gulkana Glacier basin, which have been studied since 1966 and have a substantial amount of data with which to test model performance over a long period of time covering a wide range of climatic and hydrologic conditions. When error in field measurements is considered, the Nash-Sutcliffe efficiencies of streamflow are 0.87 and 0.86, the absolute bias fractions of the winter mass balance simulations are 0.10 and 0.08, and the absolute bias fractions of the summer mass balances are 0.01 and 0.03, all computed over 42 years for the Wolverine and Gulkana Glacier basins, respectively. Without taking into account measurement error, the values are still within the range achieved by the more computationally expensive codes tested over shorter time periods.

32 CFR 842.32 - Claims not payable.

Code of Federal Regulations, 2013 CFR

2013-07-01

..., checks, money orders, travelers checks and credit cards. (f) It is government property, including issued... due to changed or cancelled orders. (q) It is for expenses of enroute repair of a mobile or... relocate a telephone or mobile or manufactured home due to a government ordered quarters move. The member...

32 CFR 842.32 - Claims not payable.

Code of Federal Regulations, 2011 CFR

2011-07-01

..., checks, money orders, travelers checks and credit cards. (f) It is government property, including issued... due to changed or cancelled orders. (q) It is for expenses of enroute repair of a mobile or... relocate a telephone or mobile or manufactured home due to a government ordered quarters move. The member...

32 CFR 842.32 - Claims not payable.

Code of Federal Regulations, 2014 CFR

2014-07-01

..., checks, money orders, travelers checks and credit cards. (f) It is government property, including issued... due to changed or cancelled orders. (q) It is for expenses of enroute repair of a mobile or... relocate a telephone or mobile or manufactured home due to a government ordered quarters move. The member...

32 CFR 842.32 - Claims not payable.

Code of Federal Regulations, 2010 CFR

2010-07-01

..., checks, money orders, travelers checks and credit cards. (f) It is government property, including issued... due to changed or cancelled orders. (q) It is for expenses of enroute repair of a mobile or... relocate a telephone or mobile or manufactured home due to a government ordered quarters move. The member...

32 CFR 842.32 - Claims not payable.

Code of Federal Regulations, 2012 CFR

2012-07-01

..., checks, money orders, travelers checks and credit cards. (f) It is government property, including issued... due to changed or cancelled orders. (q) It is for expenses of enroute repair of a mobile or... relocate a telephone or mobile or manufactured home due to a government ordered quarters move. The member...

Performance analysis of distributed symmetric sparse matrix vector multiplication algorithm for multi-core architectures

DOE PAGES

Oryspayev, Dossay; Aktulga, Hasan Metin; Sosonkina, Masha; ...

2015-07-14

In this article, sparse matrix vector multiply (SpMVM) is an important kernel that frequently arises in high performance computing applications. Due to its low arithmetic intensity, several approaches have been proposed in literature to improve its scalability and efficiency in large scale computations. In this paper, our target systems are high end multi-core architectures and we use messaging passing interface + open multiprocessing hybrid programming model for parallelism. We analyze the performance of recently proposed implementation of the distributed symmetric SpMVM, originally developed for large sparse symmetric matrices arising in ab initio nuclear structure calculations. We also study important featuresmore » of this implementation and compare with previously reported implementations that do not exploit underlying symmetry. Our SpMVM implementations leverage the hybrid paradigm to efficiently overlap expensive communications with computations. Our main comparison criterion is the "CPU core hours" metric, which is the main measure of resource usage on supercomputers. We analyze the effects of topology-aware mapping heuristic using simplified network load model. Furthermore, we have tested the different SpMVM implementations on two large clusters with 3D Torus and Dragonfly topology. Our results show that the distributed SpMVM implementation that exploits matrix symmetry and hides communication yields the best value for the "CPU core hours" metric and significantly reduces data movement overheads.« less

Dynamic adaptive chemistry for turbulent flame simulations

NASA Astrophysics Data System (ADS)

Yang, Hongtao; Ren, Zhuyin; Lu, Tianfeng; Goldin, Graham M.

2013-02-01

The use of large chemical mechanisms in flame simulations is computationally expensive due to the large number of chemical species and the wide range of chemical time scales involved. This study investigates the use of dynamic adaptive chemistry (DAC) for efficient chemistry calculations in turbulent flame simulations. DAC is achieved through the directed relation graph (DRG) method, which is invoked for each computational fluid dynamics cell/particle to obtain a small skeletal mechanism that is valid for the local thermochemical condition. Consequently, during reaction fractional steps, one needs to solve a smaller set of ordinary differential equations governing chemical kinetics. Test calculations are performed in a partially-stirred reactor (PaSR) involving both methane/air premixed and non-premixed combustion with chemistry described by the 53-species GRI-Mech 3.0 mechanism and the 129-species USC-Mech II mechanism augmented with recently updated NO x pathways, respectively. Results show that, in the DAC approach, the DRG reduction threshold effectively controls the incurred errors in the predicted temperature and species concentrations. The computational saving achieved by DAC increases with the size of chemical kinetic mechanisms. For the PaSR simulations, DAC achieves a speedup factor of up to three for GRI-Mech 3.0 and up to six for USC-Mech II in simulation time, while at the same time maintaining good accuracy in temperature and species concentration predictions.

Probabilistic Prognosis of Non-Planar Fatigue Crack Growth

NASA Technical Reports Server (NTRS)

Leser, Patrick E.; Newman, John A.; Warner, James E.; Leser, William P.; Hochhalter, Jacob D.; Yuan, Fuh-Gwo

2016-01-01

Quantifying the uncertainty in model parameters for the purpose of damage prognosis can be accomplished utilizing Bayesian inference and damage diagnosis data from sources such as non-destructive evaluation or structural health monitoring. The number of samples required to solve the Bayesian inverse problem through common sampling techniques (e.g., Markov chain Monte Carlo) renders high-fidelity finite element-based damage growth models unusable due to prohibitive computation times. However, these types of models are often the only option when attempting to model complex damage growth in real-world structures. Here, a recently developed high-fidelity crack growth model is used which, when compared to finite element-based modeling, has demonstrated reductions in computation times of three orders of magnitude through the use of surrogate models and machine learning. The model is flexible in that only the expensive computation of the crack driving forces is replaced by the surrogate models, leaving the remaining parameters accessible for uncertainty quantification. A probabilistic prognosis framework incorporating this model is developed and demonstrated for non-planar crack growth in a modified, edge-notched, aluminum tensile specimen. Predictions of remaining useful life are made over time for five updates of the damage diagnosis data, and prognostic metrics are utilized to evaluate the performance of the prognostic framework. Challenges specific to the probabilistic prognosis of non-planar fatigue crack growth are highlighted and discussed in the context of the experimental results.

Fully Automated Atlas-Based Hippocampus Volumetry for Clinical Routine: Validation in Subjects with Mild Cognitive Impairment from the ADNI Cohort.

PubMed

Suppa, Per; Hampel, Harald; Spies, Lothar; Fiebach, Jochen B; Dubois, Bruno; Buchert, Ralph

2015-01-01

Hippocampus volumetry based on magnetic resonance imaging (MRI) has not yet been translated into everyday clinical diagnostic patient care, at least in part due to limited availability of appropriate software tools. In the present study, we evaluate a fully-automated and computationally efficient processing pipeline for atlas based hippocampal volumetry using freely available Statistical Parametric Mapping (SPM) software in 198 amnestic mild cognitive impairment (MCI) subjects from the Alzheimer's Disease Neuroimaging Initiative (ADNI1). Subjects were grouped into MCI stable and MCI to probable Alzheimer's disease (AD) converters according to follow-up diagnoses at 12, 24, and 36 months. Hippocampal grey matter volume (HGMV) was obtained from baseline T1-weighted MRI and then corrected for total intracranial volume and age. Average processing time per subject was less than 4 minutes on a standard PC. The area under the receiver operator characteristic curve of the corrected HGMV for identification of MCI to probable AD converters within 12, 24, and 36 months was 0.78, 0.72, and 0.71, respectively. Thus, hippocampal volume computed with the fully-automated processing pipeline provides similar power for prediction of MCI to probable AD conversion as computationally more expensive methods. The whole processing pipeline has been made freely available as an SPM8 toolbox. It is easily set up and integrated into everyday clinical patient care.

The role of under-determined approximations in engineering and science application

NASA Technical Reports Server (NTRS)

Carpenter, William C.

1992-01-01

There is currently a great deal of interest in using response surfaces in the optimization of aircraft performance. The objective function and/or constraint equations involved in these optimization problems may come from numerous disciplines such as structures, aerodynamics, environmental engineering, etc. In each of these disciplines, the mathematical complexity of the governing equations usually dictates that numerical results be obtained from large computer programs such as a finite element method program. Thus, when performing optimization studies, response surfaces are a convenient way of transferring information from the various disciplines to the optimization algorithm as opposed to bringing all the sundry computer programs together in a massive computer code. Response surfaces offer another advantage in the optimization of aircraft structures. A characteristic of these types of optimization problems is that evaluation of the objective function and response equations (referred to as a functional evaluation) can be very expensive in a computational sense. Because of the computational expense in obtaining functional evaluations, the present study was undertaken to investigate under-determinined approximations. An under-determined approximation is one in which there are fewer training pairs (pieces of information about a function) than there are undetermined parameters (coefficients or weights) associated with the approximation. Both polynomial approximations and neural net approximations were examined. Three main example problems were investigated: (1) a function of one design variable was considered; (2) a function of two design variables was considered; and (3) a 35 bar truss with 4 design variables was considered.

Self-energy matrices for electron transport calculations within the real-space finite-difference formalism

NASA Astrophysics Data System (ADS)

Tsukamoto, Shigeru; Ono, Tomoya; Hirose, Kikuji; Blügel, Stefan

2017-03-01

The self-energy term used in transport calculations, which describes the coupling between electrode and transition regions, is able to be evaluated only from a limited number of the propagating and evanescent waves of a bulk electrode. This obviously contributes toward the reduction of the computational expenses in transport calculations. In this paper, we present a mathematical formula for reducing the computational expenses further without using any approximation and without losing accuracy. So far, the self-energy term has been handled as a matrix with the same dimension as the Hamiltonian submatrix representing the interaction between an electrode and a transition region. In this work, through the singular-value decomposition of the submatrix, the self-energy matrix is handled as a smaller matrix, whose dimension is the rank number of the Hamiltonian submatrix. This procedure is practical in the case of using the pseudopotentials in a separable form, and the computational expenses for determining the self-energy matrix are reduced by 90% when employing a code based on the real-space finite-difference formalism and projector-augmented wave method. In addition, this technique is applicable to the transport calculations using atomic or localized basis sets. Adopting the self-energy matrices obtained from this procedure, we present the calculation of the electron transport properties of C20 molecular junctions. The application demonstrates that the electron transmissions are sensitive to the orientation of the molecule with respect to the electrode surface. In addition, channel decomposition of the scattering wave functions reveals that some unoccupied C20 molecular orbitals mainly contribute to the electron conduction through the molecular junction.

Application of reduced order modeling techniques to problems in heat conduction, isoelectric focusing and differential algebraic equations

NASA Astrophysics Data System (ADS)

Mathai, Pramod P.

This thesis focuses on applying and augmenting 'Reduced Order Modeling' (ROM) techniques to large scale problems. ROM refers to the set of mathematical techniques that are used to reduce the computational expense of conventional modeling techniques, like finite element and finite difference methods, while minimizing the loss of accuracy that typically accompanies such a reduction. The first problem that we address pertains to the prediction of the level of heat dissipation in electronic and MEMS devices. With the ever decreasing feature sizes in electronic devices, and the accompanied rise in Joule heating, the electronics industry has, since the 1990s, identified a clear need for computationally cheap heat transfer modeling techniques that can be incorporated along with the electronic design process. We demonstrate how one can create reduced order models for simulating heat conduction in individual components that constitute an idealized electronic device. The reduced order models are created using Krylov Subspace Techniques (KST). We introduce a novel 'plug and play' approach, based on the small gain theorem in control theory, to interconnect these component reduced order models (according to the device architecture) to reliably and cheaply replicate whole device behavior. The final aim is to have this technique available commercially as a computationally cheap and reliable option that enables a designer to optimize for heat dissipation among competing VLSI architectures. Another place where model reduction is crucial to better design is Isoelectric Focusing (IEF) - the second problem in this thesis - which is a popular technique that is used to separate minute amounts of proteins from the other constituents that are present in a typical biological tissue sample. Fundamental questions about how to design IEF experiments still remain because of the high dimensional and highly nonlinear nature of the differential equations that describe the IEF process as well as the uncertainty in the parameters of the differential equations. There is a clear need to design better experiments for IEF without the current overhead of expensive chemicals and labor. We show how with a simpler modeling of the underlying chemistry, we can still achieve the accuracy that has been achieved in existing literature for modeling small ranges of pH (hydrogen ion concentration) in IEF, but with far less computational time. We investigate a further reduction of time by modeling the IEF problem using the Proper Orthogonal Decomposition (POD) technique and show why POD may not be sufficient due to the underlying constraints. The final problem that we address in this thesis addresses a certain class of dynamics with high stiffness - in particular, differential algebraic equations. With the help of simple examples, we show how the traditional POD procedure will fail to model certain high stiffness problems due to a particular behavior of the vector field which we will denote as twist. We further show how a novel augmentation to the traditional POD algorithm can model-reduce problems with twist in a computationally cheap manner without any additional data requirements.

Atomistic Modeling of Pd Site Preference in NiTi

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Noebe, Ronald D.; Mosca, Hugo O.

2004-01-01

An analysis of the site subsitution behavior of Pd in NiTi was performed using the BFS method for alloys. Through a combination of Monte Carlo simulations and detailed atom-by-atom energetic analyses of various computational cells, representing compositions of NiTi with up to 10 at% Pd, a detailed understanding of site occupancy of Pd in NiTi was revealed. Pd subsituted at the expense of Ni in a NiTi alloy will prefer the Ni-sites. Pd subsituted at the expense of Ti shows a very weak preference for Ti-sites that diminishes as the amount of Pd in the alloy increases and as the temperature increases.

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...

A LAN Primer.

ERIC Educational Resources Information Center

Hazari, Sunil I.

1991-01-01

Local area networks (LANs) are systems of computers and peripherals connected together for the purposes of electronic mail and the convenience of sharing information and expensive resources. In planning the design of such a system, the components to consider are hardware, software, transmission media, topology, operating systems, and protocols.…

Migration without migraines

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

Lines, L.; Burton, A.; Lu, H.X.

Accurate velocity models are a necessity for reliable migration results. Velocity analysis generally involves the use of methods such as normal moveout analysis (NMO), seismic traveltime tomography, or iterative prestack migration. These techniques can be effective, and each has its own advantage or disadvantage. Conventional NMO methods are relatively inexpensive but basically require simplifying assumptions about geology. Tomography is a more general method but requires traveltime interpretation of prestack data. Iterative prestack depth migration is very general but is computationally expensive. In some cases, there is the opportunity to estimate vertical velocities by use of well information. The well informationmore » can be used to optimize poststack migrations, thereby eliminating some of the time and expense of iterative prestack migration. The optimized poststack migration procedure defined here computes the velocity model which minimizes the depth differences between seismic images and formation depths at the well by using a least squares inversion method. The optimization methods described in this paper will hopefully produce ``migrations without migraines.``« less

The curse of planning: dissecting multiple reinforcement-learning systems by taxing the central executive.

PubMed

Otto, A Ross; Gershman, Samuel J; Markman, Arthur B; Daw, Nathaniel D

2013-05-01

A number of accounts of human and animal behavior posit the operation of parallel and competing valuation systems in the control of choice behavior. In these accounts, a flexible but computationally expensive model-based reinforcement-learning system has been contrasted with a less flexible but more efficient model-free reinforcement-learning system. The factors governing which system controls behavior-and under what circumstances-are still unclear. Following the hypothesis that model-based reinforcement learning requires cognitive resources, we demonstrated that having human decision makers perform a demanding secondary task engenders increased reliance on a model-free reinforcement-learning strategy. Further, we showed that, across trials, people negotiate the trade-off between the two systems dynamically as a function of concurrent executive-function demands, and people's choice latencies reflect the computational expenses of the strategy they employ. These results demonstrate that competition between multiple learning systems can be controlled on a trial-by-trial basis by modulating the availability of cognitive resources.

The Curse of Planning: Dissecting multiple reinforcement learning systems by taxing the central executive

PubMed Central

Otto, A. Ross; Gershman, Samuel J.; Markman, Arthur B.; Daw, Nathaniel D.

2013-01-01

A number of accounts of human and animal behavior posit the operation of parallel and competing valuation systems in the control of choice behavior. Along these lines, a flexible but computationally expensive model-based reinforcement learning system has been contrasted with a less flexible but more efficient model-free reinforcement learning system. The factors governing which system controls behavior—and under what circumstances—are still unclear. Based on the hypothesis that model-based reinforcement learning requires cognitive resources, we demonstrate that having human decision-makers perform a demanding secondary task engenders increased reliance on a model-free reinforcement learning strategy. Further, we show that across trials, people negotiate this tradeoff dynamically as a function of concurrent executive function demands and their choice latencies reflect the computational expenses of the strategy employed. These results demonstrate that competition between multiple learning systems can be controlled on a trial-by-trial basis by modulating the availability of cognitive resources. PMID:23558545

Automated combinatorial method for fast and robust prediction of lattice thermal conductivity

NASA Astrophysics Data System (ADS)

Plata, Jose J.; Nath, Pinku; Usanmaz, Demet; Toher, Cormac; Fornari, Marco; Buongiorno Nardelli, Marco; Curtarolo, Stefano

The lack of computationally inexpensive and accurate ab-initio based methodologies to predict lattice thermal conductivity, κl, without computing the anharmonic force constants or performing time-consuming ab-initio molecular dynamics, is one of the obstacles preventing the accelerated discovery of new high or low thermal conductivity materials. The Slack equation is the best alternative to other more expensive methodologies but is highly dependent on two variables: the acoustic Debye temperature, θa, and the Grüneisen parameter, γ. Furthermore, different definitions can be used for these two quantities depending on the model or approximation. Here, we present a combinatorial approach based on the quasi-harmonic approximation to elucidate which definitions of both variables produce the best predictions of κl. A set of 42 compounds was used to test accuracy and robustness of all possible combinations. This approach is ideal for obtaining more accurate values than fast screening models based on the Debye model, while being significantly less expensive than methodologies that solve the Boltzmann transport equation.

Assessment of Orbital-Optimized Third-Order Møller-Plesset Perturbation Theory and Its Spin-Component and Spin-Opposite Scaled Variants for Thermochemistry and Kinetics.

PubMed

Soydaş, Emine; Bozkaya, Uğur

2013-03-12

An assessment of the OMP3 method and its spin-component and spin-scaled variants for thermochemistry and kinetics is presented. For reaction energies of closed-shell systems, the CCSD, SCS-MP3, and SCS-OMP3 methods show better performances than other considered methods, and no significant improvement is observed due to orbital optimization. For barrier heights, OMP3 and SCS-OMP3 provide the lowest mean absolute deviations. The MP3 method yields considerably higher errors, and the spin scaling approaches do not help to improve upon MP3, but worsen it. For radical stabilization energies, the CCSD, OMP3, and SCS-OMP3 methods exhibit noticeably better performances than MP3 and its variants. Our results demonstrate that if the reference wave function suffers from a spin-contamination, then the MP3 methods dramatically fail. On the other hand, the OMP3 method and its variants can tolerate the spin-contamination in the reference wave function. For overall evaluation, we conclude that OMP3 is quite helpful, especially in electronically challenged systems, such as free radicals or transition states where spin contamination dramatically deteriorates the quality of the canonical MP3 and SCS-MP3 methods. Both OMP3 and CCSD methods scale as n(6), where n is the number of basis functions. However, the OMP3 method generally converges in much fewer iterations than CCSD. In practice, OMP3 is several times faster than CCSD in energy computations. Further, the stationary properties of OMP3 make it much more favorable than CCSD in the evaluation of analytic derivatives. For OMP3, the analytic gradient computations are much less expensive than CCSD. For the frequency computation, both methods require the evaluation of the perturbed amplitudes and orbitals. However, in the OMP3 case there is still a significant computational time savings due to simplifications in the analytic Hessian expression owing to the stationary property of OMP3. Hence, the OMP3 method emerges as a very useful tool for computational quantum chemistry.

Development of hardware accelerator for molecular dynamics simulations: a computation board that calculates nonbonded interactions in cooperation with fast multipole method.

PubMed

Amisaki, Takashi; Toyoda, Shinjiro; Miyagawa, Hiroh; Kitamura, Kunihiro

2003-04-15

Evaluation of long-range Coulombic interactions still represents a bottleneck in the molecular dynamics (MD) simulations of biological macromolecules. Despite the advent of sophisticated fast algorithms, such as the fast multipole method (FMM), accurate simulations still demand a great amount of computation time due to the accuracy/speed trade-off inherently involved in these algorithms. Unless higher order multipole expansions, which are extremely expensive to evaluate, are employed, a large amount of the execution time is still spent in directly calculating particle-particle interactions within the nearby region of each particle. To reduce this execution time for pair interactions, we developed a computation unit (board), called MD-Engine II, that calculates nonbonded pairwise interactions using a specially designed hardware. Four custom arithmetic-processors and a processor for memory manipulation ("particle processor") are mounted on the computation board. The arithmetic processors are responsible for calculation of the pair interactions. The particle processor plays a central role in realizing efficient cooperation with the FMM. The results of a series of 50-ps MD simulations of a protein-water system (50,764 atoms) indicated that a more stringent setting of accuracy in FMM computation, compared with those previously reported, was required for accurate simulations over long time periods. Such a level of accuracy was efficiently achieved using the cooperative calculations of the FMM and MD-Engine II. On an Alpha 21264 PC, the FMM computation at a moderate but tolerable level of accuracy was accelerated by a factor of 16.0 using three boards. At a high level of accuracy, the cooperative calculation achieved a 22.7-fold acceleration over the corresponding conventional FMM calculation. In the cooperative calculations of the FMM and MD-Engine II, it was possible to achieve more accurate computation at a comparable execution time by incorporating larger nearby regions. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 582-592, 2003

Numerical Optimization Using Computer Experiments

NASA Technical Reports Server (NTRS)

Trosset, Michael W.; Torczon, Virginia

1997-01-01

Engineering design optimization often gives rise to problems in which expensive objective functions are minimized by derivative-free methods. We propose a method for solving such problems that synthesizes ideas from the numerical optimization and computer experiment literatures. Our approach relies on kriging known function values to construct a sequence of surrogate models of the objective function that are used to guide a grid search for a minimizer. Results from numerical experiments on a standard test problem are presented.

Improvement of the 2D/1D Method in MPACT Using the Sub-Plane Scheme

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

Graham, Aaron M; Collins, Benjamin S; Downar, Thomas

Oak Ridge National Laboratory and the University of Michigan are jointly developing the MPACTcode to be the primary neutron transport code for the Virtual Environment for Reactor Applications (VERA). To solve the transport equation, MPACT uses the 2D/1D method, which decomposes the problem into a stack of 2D planes that are then coupled with a 1D axial calculation. MPACT uses the Method of Characteristics for the 2D transport calculations and P3 for the 1D axial calculations, then accelerates the solution using the 3D Coarse mesh Finite Dierence (CMFD) method. Increasing the number of 2D MOC planes will increase the accuracymore » of the alculation, but will increase the computational burden of the calculations and can cause slow convergence or instability. To prevent these problems while maintaining accuracy, the sub-plane scheme has been implemented in MPACT. This method sub-divides the MOC planes into sub-planes, refining the 1D P3 and 3D CMFD calculations without increasing the number of 2D MOC planes. To test the sub-plane scheme, three of the VERA Progression Problems were selected: Problem 3, a single assembly problem; Problem 4, a 3x3 assembly problem with control rods and pyrex burnable poisons; and Problem 5, a quarter core problem. These three problems demonstrated that the sub-plane scheme can accurately produce intra-plane axial flux profiles that preserve the accuracy of the fine mesh solution. The eigenvalue dierences are negligibly small, and dierences in 3D power distributions are less than 0.1% for realistic axial meshes. Furthermore, the convergence behavior with the sub-plane scheme compares favorably with the conventional 2D/1D method, and the computational expense is decreased for all calculations due to the reduction in expensive MOC calculations.« less

Do medical out-of-pocket expenses thrust families into poverty?

PubMed

O'Hara, Brett

2004-02-01

This paper estimates the impact of medical out-of-pocket expenses on families' well-being using the Survey of Income and Program Participation. Medical out-of-pocket expenses include the out-of-pocket costs from medical services and the family's share of health insurance premiums. Demographic characteristics, insurance status, and medical usage of the family are analyzed to determine which characteristics are most likely to impoverish a family. Families impoverished because of medical out-of-pocket expenses are far more likely to have older heads of the family, at least one family member in poor health, or some adults without health insurance. Families without at least one person who worked full time for the entire year were also likely to be impoverished. However, children in the family had little effect on the probability that the family became impoverished. This odd result is probably due to the high correlation between parental health insurance coverage and the health insurance coverage of their children.

Storage and computationally efficient permutations of factorized covariance and square-root information arrays

NASA Technical Reports Server (NTRS)

Muellerschoen, R. J.

1988-01-01

A unified method to permute vector stored Upper triangular Diagonal factorized covariance and vector stored upper triangular Square Root Information arrays is presented. The method involves cyclic permutation of the rows and columns of the arrays and retriangularization with fast (slow) Givens rotations (reflections). Minimal computation is performed, and a one dimensional scratch array is required. To make the method efficient for large arrays on a virtual memory machine, computations are arranged so as to avoid expensive paging faults. This method is potentially important for processing large volumes of radio metric data in the Deep Space Network.

Habitual control of goal selection in humans

PubMed Central

Cushman, Fiery; Morris, Adam

2015-01-01

Humans choose actions based on both habit and planning. Habitual control is computationally frugal but adapts slowly to novel circumstances, whereas planning is computationally expensive but can adapt swiftly. Current research emphasizes the competition between habits and plans for behavioral control, yet many complex tasks instead favor their integration. We consider a hierarchical architecture that exploits the computational efficiency of habitual control to select goals while preserving the flexibility of planning to achieve those goals. We formalize this mechanism in a reinforcement learning setting, illustrate its costs and benefits, and experimentally demonstrate its spontaneous application in a sequential decision-making task. PMID:26460050

Current Grid Generation Strategies and Future Requirements in Hypersonic Vehicle Design, Analysis and Testing

NASA Technical Reports Server (NTRS)

Papadopoulos, Periklis; Venkatapathy, Ethiraj; Prabhu, Dinesh; Loomis, Mark P.; Olynick, Dave; Arnold, James O. (Technical Monitor)

1998-01-01

Recent advances in computational power enable computational fluid dynamic modeling of increasingly complex configurations. A review of grid generation methodologies implemented in support of the computational work performed for the X-38 and X-33 are presented. In strategizing topological constructs and blocking structures factors considered are the geometric configuration, optimal grid size, numerical algorithms, accuracy requirements, physics of the problem at hand, computational expense, and the available computer hardware. Also addressed are grid refinement strategies, the effects of wall spacing, and convergence. The significance of grid is demonstrated through a comparison of computational and experimental results of the aeroheating environment experienced by the X-38 vehicle. Special topics on grid generation strategies are also addressed to model control surface deflections, and material mapping.

OPEX: Optimized Eccentricity Computation in Graphs

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

Henderson, Keith

2011-11-14

Real-world graphs have many properties of interest, but often these properties are expensive to compute. We focus on eccentricity, radius and diameter in this work. These properties are useful measures of the global connectivity patterns in a graph. Unfortunately, computing eccentricity for all nodes is O(n2) for a graph with n nodes. We present OPEX, a novel combination of optimizations which improves computation time of these properties by orders of magnitude in real-world experiments on graphs of many different sizes. We run OPEX on graphs with up to millions of links. OPEX gives either exact results or bounded approximations, unlikemore » its competitors which give probabilistic approximations or sacrifice node-level information (eccentricity) to compute graphlevel information (diameter).« less

A DNA sequence analysis package for the IBM personal computer.

PubMed Central

Lagrimini, L M; Brentano, S T; Donelson, J E

1984-01-01

We present here a collection of DNA sequence analysis programs, called "PC Sequence" (PCS), which are designed to run on the IBM Personal Computer (PC). These programs are written in IBM PC compiled BASIC and take full advantage of the IBM PC's speed, error handling, and graphics capabilities. For a modest initial expense in hardware any laboratory can use these programs to quickly perform computer analysis on DNA sequences. They are written with the novice user in mind and require very little training or previous experience with computers. Also provided are a text editing program for creating and modifying DNA sequence files and a communications program which enables the PC to communicate with and collect information from mainframe computers and DNA sequence databases. PMID:6546433

No evidence for the 'expensive-tissue hypothesis' from an intraspecific study in a highly variable species.

PubMed

Warren, D L; Iglesias, T L

2012-06-01

The 'expensive-tissue hypothesis' states that investment in one metabolically costly tissue necessitates decreased investment in other tissues and has been one of the keystone concepts used in studying the evolution of metabolically expensive tissues. The trade-offs expected under this hypothesis have been investigated in comparative studies in a number of clades, yet support for the hypothesis is mixed. Nevertheless, the expensive-tissue hypothesis has been used to explain everything from the evolution of the human brain to patterns of reproductive investment in bats. The ambiguous support for the hypothesis may be due to interspecific differences in selection, which could lead to spurious results both positive and negative. To control for this, we conduct a study of trade-offs within a single species, Thalassoma bifasciatum, a coral reef fish that exhibits more intraspecific variation in a single tissue (testes) than is seen across many of the clades previously analysed in studies of tissue investment. This constitutes a robust test of the constraints posited under the expensive-tissue hypothesis that is not affected by many of the factors that may confound interspecific studies. However, we find no evidence of trade-offs between investment in testes and investment in liver or brain, which are typically considered to be metabolically expensive. Our results demonstrate that the frequent rejection of the expensive-tissue hypothesis may not be an artefact of interspecific differences in selection and suggests that organisms may be capable of compensating for substantial changes in tissue investment without sacrificing mass in other expensive tissues. © 2012 The Authors. Journal of Evolutionary Biology © 2012 European Society For Evolutionary Biology.

Comparison of genes in apple [Malus x domestica (Borkh) 'Royal Gala'] responding to simulated drought and recovery

USDA-ARS?s Scientific Manuscript database

Water is the most limiting resource in the environment. During episodes of drought, crop losses can be substantial due to both direct and indirect effects of dehydration. Even irrigation alternatives are not entirely satisfactory towards solving this problem due to their expense and to competition...

A City Manager Looks at Trends Affecting Public Libraries.

ERIC Educational Resources Information Center

Kemp, Roger L.

1999-01-01

Highlights some important conditions, both present and future, which will have an impact on public libraries. Discusses holding down expenses, including user fees, alternative funding sources, and private cosponsorship of programs; increasing productivity; use of computers and new technologies; staff development and internal marketing; improving…

Computer Conferencing and Electronic Mail.

ERIC Educational Resources Information Center

Kaye, Tony

This paper discusses a number of problems associated with distance education methods used in adult education and training fields, including limited opportunities for dialogue and group interaction among students and between students and tutors; the expense of updating and modifying mass-produced print and audiovisual materials; and the relative…

26 CFR 1.460-1 - Long-term contracts.

Code of Federal Regulations, 2011 CFR

2011-04-01

... attributable to designing the satellite and developing computer software using the PCM. Example 7. Non-long... customer has title to, control over, or bears the risk of loss from, the property manufactured or... as design and engineering costs, other than expenses attributable to bidding and negotiating...

26 CFR 1.460-1 - Long-term contracts.

Code of Federal Regulations, 2012 CFR

2012-04-01

... attributable to designing the satellite and developing computer software using the PCM. Example 7. Non-long... customer has title to, control over, or bears the risk of loss from, the property manufactured or... as design and engineering costs, other than expenses attributable to bidding and negotiating...

26 CFR 1.460-1 - Long-term contracts.

Code of Federal Regulations, 2014 CFR

2014-04-01

... attributable to designing the satellite and developing computer software using the PCM. Example 7. Non-long... customer has title to, control over, or bears the risk of loss from, the property manufactured or... as design and engineering costs, other than expenses attributable to bidding and negotiating...

26 CFR 1.460-1 - Long-term contracts.

Code of Federal Regulations, 2013 CFR

2013-04-01

... attributable to designing the satellite and developing computer software using the PCM. Example 7. Non-long... customer has title to, control over, or bears the risk of loss from, the property manufactured or... as design and engineering costs, other than expenses attributable to bidding and negotiating...

Multi-Protocol LAN Design and Implementation: A Case Study.

ERIC Educational Resources Information Center

Hazari, Sunil

1995-01-01

Reports on the installation of a local area network (LAN) at East Carolina University. Topics include designing the network; computer labs and electronic mail; Internet connectivity; LAN expenses; and recommendations on planning, equipment, administration, and training. A glossary of networking terms is also provided. (AEF)

Decentralized system identification using stochastic subspace identification on wireless smart sensor networks

NASA Astrophysics Data System (ADS)

Sim, Sung-Han; Spencer, Billie F., Jr.; Park, Jongwoong; Jung, Hyungjo

2012-04-01

Wireless Smart Sensor Networks (WSSNs) facilitates a new paradigm to structural identification and monitoring for civil infrastructure. Conventional monitoring systems based on wired sensors and centralized data acquisition and processing have been considered to be challenging and costly due to cabling and expensive equipment and maintenance costs. WSSNs have emerged as a technology that can overcome such difficulties, making deployment of a dense array of sensors on large civil structures both feasible and economical. However, as opposed to wired sensor networks in which centralized data acquisition and processing is common practice, WSSNs require decentralized computing algorithms to reduce data transmission due to the limitation associated with wireless communication. Thus, several system identification methods have been implemented to process sensor data and extract essential information, including Natural Excitation Technique with Eigensystem Realization Algorithm, Frequency Domain Decomposition (FDD), and Random Decrement Technique (RDT); however, Stochastic Subspace Identification (SSI) has not been fully utilized in WSSNs, while SSI has the strong potential to enhance the system identification. This study presents a decentralized system identification using SSI in WSSNs. The approach is implemented on MEMSIC's Imote2 sensor platform and experimentally verified using a 5-story shear building model.

Effective Mass Theory of 2D Excitons Revisited

NASA Astrophysics Data System (ADS)

Gonzalez, Joseph; Oleynik, Ivan

Two-dimensional (2D) semiconducting materials possess an exceptionally unique set of electronic and excitonic properties due to the combined effects of quantum and dielectric confinement. Reliable determination of exciton binding energies from both first-principles many-body perturbation theory (GW/BSE) and experiment is very challenging due to the enormous computational expense as well as the tremendous technical difficulties in experiment.. Very recently, effective mass theories of 2D excitons have been developed as an attractive alternative for inexpensive and accurate evaluation of the exciton binding energies. In this presentation, we evaluate two effective mass theory approaches by Velizhanin et al and Olsen et al in predicting exciton binding energies across a wide range of 2D materials. We specifically analyze the trends related to the varying screening lengths and exciton effective masses. We also extended the effective mass theory of 2D excitons to include effects of electron and hole mass anisotropies (mx ≠ my) , the latter showing a substantial influence on exciton binding energies. The recent predictions of exciton binding energies being independent of the exciton effective mass and a linear correlation with the band gap of a specific material are also critically reexamined.

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

Sattari, Sulimon, E-mail: ssattari2@ucmerced.edu; Chen, Qianting, E-mail: qchen2@ucmerced.edu; Mitchell, Kevin A., E-mail: kmitchell@ucmerced.edu

Topological approaches to mixing are important tools to understand chaotic fluid flows, ranging from oceanic transport to the design of micro-mixers. Typically, topological entropy, the exponential growth rate of material lines, is used to quantify topological mixing. Computing topological entropy from the direct stretching rate is computationally expensive and sheds little light on the source of the mixing. Earlier approaches emphasized that topological entropy could be viewed as generated by the braiding of virtual, or “ghost,” rods stirring the fluid in a periodic manner. Here, we demonstrate that topological entropy can also be viewed as generated by the braiding ofmore » ghost rods following heteroclinic orbits instead. We use the machinery of homotopic lobe dynamics, which extracts symbolic dynamics from finite-length pieces of stable and unstable manifolds attached to fixed points of the fluid flow. As an example, we focus on the topological entropy of a bounded, chaotic, two-dimensional, double-vortex cavity flow. Over a certain parameter range, the topological entropy is primarily due to the braiding of a period-three orbit. However, this orbit does not explain the topological entropy for parameter values where it does not exist, nor does it explain the excess of topological entropy for the entire range of its existence. We show that braiding by heteroclinic orbits provides an accurate computation of topological entropy when the period-three orbit does not exist, and that it provides an explanation for some of the excess topological entropy when the period-three orbit does exist. Furthermore, the computation of symbolic dynamics using heteroclinic orbits has been automated and can be used to compute topological entropy for a general 2D fluid flow.« less

Nonlinear Model Predictive Control for Cooperative Control and Estimation

NASA Astrophysics Data System (ADS)

Ru, Pengkai

Recent advances in computational power have made it possible to do expensive online computations for control systems. It is becoming more realistic to perform computationally intensive optimization schemes online on systems that are not intrinsically stable and/or have very small time constants. Being one of the most important optimization based control approaches, model predictive control (MPC) has attracted a lot of interest from the research community due to its natural ability to incorporate constraints into its control formulation. Linear MPC has been well researched and its stability can be guaranteed in the majority of its application scenarios. However, one issue that still remains with linear MPC is that it completely ignores the system's inherent nonlinearities thus giving a sub-optimal solution. On the other hand, if achievable, nonlinear MPC, would naturally yield a globally optimal solution and take into account all the innate nonlinear characteristics. While an exact solution to a nonlinear MPC problem remains extremely computationally intensive, if not impossible, one might wonder if there is a middle ground between the two. We tried to strike a balance in this dissertation by employing a state representation technique, namely, the state dependent coefficient (SDC) representation. This new technique would render an improved performance in terms of optimality compared to linear MPC while still keeping the problem tractable. In fact, the computational power required is bounded only by a constant factor of the completely linearized MPC. The purpose of this research is to provide a theoretical framework for the design of a specific kind of nonlinear MPC controller and its extension into a general cooperative scheme. The controller is designed and implemented on quadcopter systems.

Using heteroclinic orbits to quantify topological entropy in fluid flows

NASA Astrophysics Data System (ADS)

Sattari, Sulimon; Chen, Qianting; Mitchell, Kevin A.

2016-03-01

Topological approaches to mixing are important tools to understand chaotic fluid flows, ranging from oceanic transport to the design of micro-mixers. Typically, topological entropy, the exponential growth rate of material lines, is used to quantify topological mixing. Computing topological entropy from the direct stretching rate is computationally expensive and sheds little light on the source of the mixing. Earlier approaches emphasized that topological entropy could be viewed as generated by the braiding of virtual, or "ghost," rods stirring the fluid in a periodic manner. Here, we demonstrate that topological entropy can also be viewed as generated by the braiding of ghost rods following heteroclinic orbits instead. We use the machinery of homotopic lobe dynamics, which extracts symbolic dynamics from finite-length pieces of stable and unstable manifolds attached to fixed points of the fluid flow. As an example, we focus on the topological entropy of a bounded, chaotic, two-dimensional, double-vortex cavity flow. Over a certain parameter range, the topological entropy is primarily due to the braiding of a period-three orbit. However, this orbit does not explain the topological entropy for parameter values where it does not exist, nor does it explain the excess of topological entropy for the entire range of its existence. We show that braiding by heteroclinic orbits provides an accurate computation of topological entropy when the period-three orbit does not exist, and that it provides an explanation for some of the excess topological entropy when the period-three orbit does exist. Furthermore, the computation of symbolic dynamics using heteroclinic orbits has been automated and can be used to compute topological entropy for a general 2D fluid flow.

Efficient computation of aerodynamic influence coefficients for aeroelastic analysis on a transputer network

NASA Technical Reports Server (NTRS)

Janetzke, David C.; Murthy, Durbha V.

1991-01-01

Aeroelastic analysis is multi-disciplinary and computationally expensive. Hence, it can greatly benefit from parallel processing. As part of an effort to develop an aeroelastic capability on a distributed memory transputer network, a parallel algorithm for the computation of aerodynamic influence coefficients is implemented on a network of 32 transputers. The aerodynamic influence coefficients are calculated using a 3-D unsteady aerodynamic model and a parallel discretization. Efficiencies up to 85 percent were demonstrated using 32 processors. The effect of subtask ordering, problem size, and network topology are presented. A comparison to results on a shared memory computer indicates that higher speedup is achieved on the distributed memory system.

Off the Shelf Cloud Robotics for the Smart Home: Empowering a Wireless Robot through Cloud Computing.

PubMed

Ramírez De La Pinta, Javier; Maestre Torreblanca, José María; Jurado, Isabel; Reyes De Cozar, Sergio

2017-03-06

In this paper, we explore the possibilities offered by the integration of home automation systems and service robots. In particular, we examine how advanced computationally expensive services can be provided by using a cloud computing approach to overcome the limitations of the hardware available at the user's home. To this end, we integrate two wireless low-cost, off-the-shelf systems in this work, namely, the service robot Rovio and the home automation system Z-wave. Cloud computing is used to enhance the capabilities of these systems so that advanced sensing and interaction services based on image processing and voice recognition can be offered.

Off the Shelf Cloud Robotics for the Smart Home: Empowering a Wireless Robot through Cloud Computing

PubMed Central

Ramírez De La Pinta, Javier; Maestre Torreblanca, José María; Jurado, Isabel; Reyes De Cozar, Sergio

2017-01-01

In this paper, we explore the possibilities offered by the integration of home automation systems and service robots. In particular, we examine how advanced computationally expensive services can be provided by using a cloud computing approach to overcome the limitations of the hardware available at the user’s home. To this end, we integrate two wireless low-cost, off-the-shelf systems in this work, namely, the service robot Rovio and the home automation system Z-wave. Cloud computing is used to enhance the capabilities of these systems so that advanced sensing and interaction services based on image processing and voice recognition can be offered. PMID:28272305

cosmoabc: Likelihood-free inference for cosmology

NASA Astrophysics Data System (ADS)

Ishida, Emille E. O.; Vitenti, Sandro D. P.; Penna-Lima, Mariana; Trindade, Arlindo M.; Cisewski, Jessi; M.; de Souza, Rafael; Cameron, Ewan; Busti, Vinicius C.

2015-05-01

Approximate Bayesian Computation (ABC) enables parameter inference for complex physical systems in cases where the true likelihood function is unknown, unavailable, or computationally too expensive. It relies on the forward simulation of mock data and comparison between observed and synthetic catalogs. cosmoabc is a Python Approximate Bayesian Computation (ABC) sampler featuring a Population Monte Carlo variation of the original ABC algorithm, which uses an adaptive importance sampling scheme. The code can be coupled to an external simulator to allow incorporation of arbitrary distance and prior functions. When coupled with the numcosmo library, it has been used to estimate posterior probability distributions over cosmological parameters based on measurements of galaxy clusters number counts without computing the likelihood function.

The development of a computer-assisted instruction system for clinical nursing skills with virtual instruments concepts: A case study for intra-aortic balloon pumping.

PubMed

Chang, Ching-I; Yan, Huey-Yeu; Sung, Wen-Hsu; Shen, Shu-Cheng; Chuang, Pao-Yu

2006-01-01

The purpose of this research was to develop a computer-aided instruction system for intra-aortic balloon pumping (IABP) skills in clinical nursing with virtual instrument (VI) concepts. Computer graphic technologies were incorporated to provide not only static clinical nursing education, but also the simulated function of operating an expensive medical instrument with VI techniques. The content of nursing knowledge was adapted from current well-accepted clinical training materials. The VI functions were developed using computer graphic technology with photos of real medical instruments taken by digital camera. We wish the system could provide beginners of nursing education important teaching assistance.

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.

Reduced description of reactive flows with tabulation of chemistry

NASA Astrophysics Data System (ADS)

Ren, Zhuyin; Goldin, Graham M.; Hiremath, Varun; Pope, Stephen B.

2011-12-01

The direct use of large chemical mechanisms in multi-dimensional Computational Fluid Dynamics (CFD) is computationally expensive due to the large number of chemical species and the wide range of chemical time scales involved. To meet this challenge, a reduced description of reactive flows in combination with chemistry tabulation is proposed to effectively reduce the computational cost. In the reduced description, the species are partitioned into represented species and unrepresented species; the reactive system is described in terms of a smaller number of represented species instead of the full set of chemical species in the mechanism; and the evolution equations are solved only for the represented species. When required, the unrepresented species are reconstructed assuming that they are in constrained chemical equilibrium. In situ adaptive tabulation (ISAT) is employed to speed the chemistry calculation through tabulating information of the reduced system. The proposed dimension-reduction / tabulation methodology determines and tabulates in situ the necessary information of the nr-dimensional reduced system based on the ns-species detailed mechanism. Compared to the full description with ISAT, the reduced descriptions achieve additional computational speed-up by solving fewer transport equations and faster ISAT retrieving. The approach is validated in both a methane/air premixed flame and a methane/air non-premixed flame. With the GRI 1.2 mechanism consisting of 31 species, the reduced descriptions (with 12 to 16 represented species) achieve a speed-up factor of up to three compared to the full description with ISAT, with a relatively moderate decrease in accuracy compared to the full description.

Assessment of the Personal Losses Suffered by Correctional Officers due to Burnout Syndrome.

PubMed

Stoyanova, R G; Harizanova, S N

2016-01-01

Professional burnout is defined as a state of depletion and loss of motivation accompanied by different mental and physical symptoms. To assess personal losses suffered by correctional officers due to burnout. This cross-sectional study conducted between June and December 2012 included 201 correctional officers in two Bulgarian prisons. The mean age of the whole group was 41.2 (SD 8.0) years. The respondents was mostly male (56.7%), married (72.6%), had a secondary educational level (61.7%), and 76.1% of them had been in current prison work over 5 years. The demographic characteristics had no influence on the occurrence of burnout but there was a correlation between level of burnout and the number of sick-leaves, the need for medical help, and the expenses spent on medications. Officers affected by burnout took more sick-leaves and this affected adversely their remuneration as they lost 3.1% of their annual wages. Their expenses spent on user fees for medical services were 3 times higher. Their monthly expenses spent on medications were 3.14 times higher than those of people without the burnout syndrome. The high level of burnout has a negative personal economic effect on the prison employees.

Design and implementation of an inexpensive target scanner for the growth of thin films by the laser-ablation process

NASA Astrophysics Data System (ADS)

Rao, A. M.; Moodera, J. S.

1991-04-01

The design of a target scanner that is inexpensive and easy to construct is described. Our target scanner system does not require an expensive personal computer to raster the laser beam uniformily over the target material, unlike the computer driven target scanners that are currently being used in the thin-film industry. The main components of our target scanner comprise a bidirectional motor, a two-position switch, and a standard optical mirror mount.

CLOCS (Computer with Low Context-Switching Time) Operating System Reference Documents

DTIC Science & Technology

1988-05-06

system are met. In sum, real-time constraints make programming harder in genera420], because they add a whole new dimension - the time dimension - to ...be preempted until it allows itself to be. More is Stored; Less is Computed Alan Jay Smith, of Berkeley, has said that any program can be made five...times as swift to run, at the expense of five times the storage space. While his numbers may be questioned, his premise may not: programs can be made

Experimental realization of an entanglement access network and secure multi-party computation

NASA Astrophysics Data System (ADS)

Chang, X.-Y.; Deng, D.-L.; Yuan, X.-X.; Hou, P.-Y.; Huang, Y.-Y.; Duan, L.-M.

2016-07-01

To construct a quantum network with many end users, it is critical to have a cost-efficient way to distribute entanglement over different network ends. We demonstrate an entanglement access network, where the expensive resource, the entangled photon source at the telecom wavelength and the core communication channel, is shared by many end users. Using this cost-efficient entanglement access network, we report experimental demonstration of a secure multiparty computation protocol, the privacy-preserving secure sum problem, based on the network quantum cryptography.

Experimental realization of an entanglement access network and secure multi-party computation

NASA Astrophysics Data System (ADS)

Chang, Xiuying; Deng, Donglin; Yuan, Xinxing; Hou, Panyu; Huang, Yuanyuan; Duan, Luming; Department of Physics, University of Michigan Collaboration; CenterQuantum Information in Tsinghua University Team

2017-04-01

To construct a quantum network with many end users, it is critical to have a cost-efficient way to distribute entanglement over different network ends. We demonstrate an entanglement access network, where the expensive resource, the entangled photon source at the telecom wavelength and the core communication channel, is shared by many end users. Using this cost-efficient entanglement access network, we report experimental demonstration of a secure multiparty computation protocol, the privacy-preserving secure sum problem, based on the network quantum cryptography.

11 CFR 9035.1 - Campaign expenditure limitation; compliance and fundraising exemptions.

Code of Federal Regulations, 2013 CFR

2013-01-01

...: (i) Coordinated expenditures under 11 CFR 109.20; (ii) Coordinated communications under 11 CFR 109.21... coordinated communications pursuant to 11 CFR 109.37 that are in-kind contributions received or accepted by... this section, 100% of salary, overhead and computer expenses incurred after a candidate's date of...

11 CFR 9035.1 - Campaign expenditure limitation; compliance and fundraising exemptions.

Code of Federal Regulations, 2011 CFR

2011-01-01

...: (i) Coordinated expenditures under 11 CFR 109.20; (ii) Coordinated communications under 11 CFR 109.21... coordinated communications pursuant to 11 CFR 109.37 that are in-kind contributions received or accepted by... this section, 100% of salary, overhead and computer expenses incurred after a candidate's date of...

Do Early Outs Work Out? Teacher Early Retirement Incentive Plans.

ERIC Educational Resources Information Center

Brown, Herb R.; Repa, J. Theodore

1993-01-01

School districts offer teacher early retirement incentive plans (TERIPs) as an opportunity to hire less expensive teachers, reduce fringe benefits costs, and eliminate teaching positions. Discusses reasons for teachers to accept TERIP, and describes a computer model that allows school officials to calculate and compare costs incurred if an…

14 CFR Section 24 - Profit and Loss Elements

Code of Federal Regulations, 2014 CFR

2014-01-01

... Maintenance Burden” shall reflect a memorandum allocation by each air carrier of the total expenses included... operation personnel in readiness for assignment to an in-flight status. (2) “Maintenance” shall include all... line 5 of this schedule. (f) “Operating Profit (Loss)” shall be computed by subtracting the total...

14 CFR Section 24 - Profit and Loss Elements

Code of Federal Regulations, 2013 CFR

2013-01-01

... Maintenance Burden” shall reflect a memorandum allocation by each air carrier of the total expenses included... operation personnel in readiness for assignment to an in-flight status. (2) “Maintenance” shall include all... line 5 of this schedule. (f) “Operating Profit (Loss)” shall be computed by subtracting the total...

14 CFR Section 24 - Profit and Loss Elements

Code of Federal Regulations, 2011 CFR

2011-01-01

... Maintenance Burden” shall reflect a memorandum allocation by each air carrier of the total expenses included... operation personnel in readiness for assignment to an in-flight status. (2) “Maintenance” shall include all... line 5 of this schedule. (f) “Operating Profit (Loss)” shall be computed by subtracting the total...

26 CFR 54.4980B-5 - COBRA continuation coverage.

Code of Federal Regulations, 2010 CFR

2010-04-01

... (for example, because of a divorce), the family deductible may be computed separately for each... the year. The plan provides that upon the divorce of a covered employee, coverage will end immediately... family had accumulated $420 of covered expenses before the divorce, as follows: $70 by each parent, $200...

Reinforce Networking Theory with OPNET Simulation

ERIC Educational Resources Information Center

Guo, Jinhua; Xiang, Weidong; Wang, Shengquan

2007-01-01

As networking systems have become more complex and expensive, hands-on experiments based on networking simulation have become essential for teaching the key computer networking topics to students. The simulation approach is the most cost effective and highly useful because it provides a virtual environment for an assortment of desirable features…

A DIY Ultrasonic Signal Generator for Sound Experiments

ERIC Educational Resources Information Center

Riad, Ihab F.

2018-01-01

Many physics departments around the world have electronic and mechanical workshops attached to them that can help build experimental setups and instruments for research and the training of undergraduate students. The workshops are usually run by experienced technicians and equipped with expensive lathing, computer numerical control (CNC) machines,…

Teaching Children Thinking

ERIC Educational Resources Information Center

Papert, Seymour

2005-01-01

The phrase "technology and education" usually means inventing new gadgets to teach the same old stuff in a thinly disguised version of the same old way. Moreover, if the gadgets are computers, the same old teaching becomes incredibly more expensive and biased towards its dullest parts, namely the kind of rote learning in which measurable…

Don't Outsource It. Do It!

ERIC Educational Resources Information Center

Nuzzo, David

1999-01-01

Discusses outsourcing in library technical-services departments and how to make the department more cost-effective to limit the need for outsourcing as a less expensive alternative. Topics include experiences at State University of New York at Buffalo; efficient use of computers for in-house programs; and staff participation. (LRW)

Recording Computer-Based Demonstrations and Board Work

ERIC Educational Resources Information Center

Spencer, Neil H.

2010-01-01

This article describes how a demonstration of statistical (or other) software can be recorded without expensive video equipment and saved as a presentation to be displayed with software such as Microsoft PowerPoint. Work carried out on a tablet PC, for example, can also be recorded in this fashion.

Common Sense Wordworking III: Desktop Publishing and Desktop Typesetting.

ERIC Educational Resources Information Center

Crawford, Walt

1987-01-01

Describes current desktop publishing packages available for microcomputers and discusses the disadvantages, especially in cost, for most personal computer users. Also described is a less expensive alternative technology--desktop typesetting--which meets the requirements of users who do not need elaborate techniques for combining text and graphics.…

CRITTERS! A Realistic Simulation for Teaching Evolutionary Biology

ERIC Educational Resources Information Center

Latham, Luke G., II; Scully, Erik P.

2008-01-01

Evolutionary processes can be studied in nature and in the laboratory, but time and financial constraints result in few opportunities for undergraduate and high school students to explore the agents of genetic change in populations. One alternative to time consuming and expensive teaching laboratories is the use of computer simulations. We…

Learning Hierarchical Skills for Game Agents from Video of Human Behavior

DTIC Science & Technology

2009-01-01

intelligent agents for computer games is an im- portant aspect of game development . However, traditional methods are expensive, and the resulting agents...Constructing autonomous agents is an essential task in game development . In this paper, we outlined a system that an- alyzes preprocessed video footage of

Processing Polarity: How the Ungrammatical Intrudes on the Grammatical

ERIC Educational Resources Information Center

Vasishth, Shravan; Brussow, Sven; Lewis, Richard L.; Drenhaus, Heiner

2008-01-01

A central question in online human sentence comprehension is, "How are linguistic relations established between different parts of a sentence?" Previous work has shown that this dependency resolution process can be computationally expensive, but the underlying reasons for this are still unclear. This article argues that dependency…

Low Cost Alternatives to Commercial Lab Kits for Physics Experiments

ERIC Educational Resources Information Center

Kodejška, C.; De Nunzio, G.; Kubinek, R.; Ríha, J.

2015-01-01

Conducting experiments in physics using modern measuring techniques, and particularly those utilizing computers, is often much more attractive to students than conducting experiments conventionally. However, the cost of professional kits in the Czech Republic is still very expensive for many schools. The basic equipment for one student workplace…

Long-Range Budget Planning in Private Colleges and Universities

ERIC Educational Resources Information Center

Hopkins, David S. P.; Massy, William F.

1977-01-01

Computer models have greatly assisted budget planners in privately financed institutions to identify and analyze major financial problems. The implementation of such a model at Stanford University is described that considers student aid expenses, indirect cost recovery, endowments, price elasticity of enrollment, and student/faculty ratios.…

Calculating orthologs in bacteria and Archaea: a divide and conquer approach.

PubMed

Halachev, Mihail R; Loman, Nicholas J; Pallen, Mark J

2011-01-01

Among proteins, orthologs are defined as those that are derived by vertical descent from a single progenitor in the last common ancestor of their host organisms. Our goal is to compute a complete set of protein orthologs derived from all currently available complete bacterial and archaeal genomes. Traditional approaches typically rely on all-against-all BLAST searching which is prohibitively expensive in terms of hardware requirements or computational time (requiring an estimated 18 months or more on a typical server). Here, we present xBASE-Orth, a system for ongoing ortholog annotation, which applies a "divide and conquer" approach and adopts a pragmatic scheme that trades accuracy for speed. Starting at species level, xBASE-Orth carefully constructs and uses pan-genomes as proxies for the full collections of coding sequences at each level as it progressively climbs the taxonomic tree using the previously computed data. This leads to a significant decrease in the number of alignments that need to be performed, which translates into faster computation, making ortholog computation possible on a global scale. Using xBASE-Orth, we analyzed an NCBI collection of 1,288 bacterial and 94 archaeal complete genomes with more than 4 million coding sequences in 5 weeks and predicted more than 700 million ortholog pairs, clustered in 175,531 orthologous groups. We have also identified sets of highly conserved bacterial and archaeal orthologs and in so doing have highlighted anomalies in genome annotation and in the proposed composition of the minimal bacterial genome. In summary, our approach allows for scalable and efficient computation of the bacterial and archaeal ortholog annotations. In addition, due to its hierarchical nature, it is suitable for incorporating novel complete genomes and alternative genome annotations. The computed ortholog data and a continuously evolving set of applications based on it are integrated in the xBASE database, available at http://www.xbase.ac.uk/.

CASL VMA Milestone Report FY16 (L3:VMA.VUQ.P13.08): Westinghouse Mixing with STAR-CCM+

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

Gilkey, Lindsay Noelle

2016-09-30

STAR-CCM+ (STAR) is a high-resolution computational fluid dynamics (CFD) code developed by CD-adapco. STAR includes validated physics models and a full suite of turbulence models including ones from the k-ε and k-ω families. STAR is currently being developed to be able to do two phase flows, but the current focus of the software is single phase flow. STAR can use imported meshes or use the built in meshing software to create computation domains for CFD. Since the solvers generally require a fine mesh for good computational results, the meshes used with STAR tend to number in the millions of cells,more » with that number growing with simulation and geometry complexity. The time required to model the flow of a full 5x5 Mixing Vane Grid Assembly (5x5MVG) in the current STAR configuration is on the order of hours, and can be very computationally expensive. COBRA-TF (CTF) is a low-resolution subchannel code that can be trained using high fidelity data from STAR. CTF does not have turbulence models and instead uses a turbulent mixing coefficient β. With a properly calibrated β, CTF can be used a low-computational cost alternative to expensive full CFD calculations performed with STAR. During the Hi2Lo work with CTF and STAR, STAR-CCM+ will be used to calibrate β and to provide high-resolution results that can be used in the place of and in addition to experimental results to reduce the uncertainty in the CTF results.« less

Multidisciplinary propulsion simulation using the numerical propulsion system simulator (NPSS)

NASA Technical Reports Server (NTRS)

Claus, Russel W.

1994-01-01

Implementing new technology in aerospace propulsion systems is becoming prohibitively expensive. One of the major contributions to the high cost is the need to perform many large scale system tests. The traditional design analysis procedure decomposes the engine into isolated components and focuses attention on each single physical discipline (e.g., fluid for structural dynamics). Consequently, the interactions that naturally occur between components and disciplines can be masked by the limited interactions that occur between individuals or teams doing the design and must be uncovered during expensive engine testing. This overview will discuss a cooperative effort of NASA, industry, and universities to integrate disciplines, components, and high performance computing into a Numerical propulsion System Simulator (NPSS).

Economic Indicators of the Farm Sector. Farm Sector Review, 1985.

ERIC Educational Resources Information Center

Economic Research Service (USDA), Washington, DC.

Farm production rose 6 percent in 1985 due to record high yields in corn, soybeans, cotton, and several other crops. While United States consumption increased slightly, exports of farm products fell 23 percent in value and 19 percent in volume. Net cash income increased 12 percent due to increased output, lower cash expenses, and unusually high…

12 CFR 313.48 - Special review of repayment agreement or salary offset due to changed circumstances.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Special review of repayment agreement or salary offset due to changed circumstances. 313.48 Section 313.48 Banks and Banking FEDERAL DEPOSIT INSURANCE...) Assets; (3) Liabilities; (4) Number of dependents; (5) Monthly expenses for food, housing, clothing, and...

Symmetrically private information retrieval based on blind quantum computing

NASA Astrophysics Data System (ADS)

Sun, Zhiwei; Yu, Jianping; Wang, Ping; Xu, Lingling

2015-05-01

Universal blind quantum computation (UBQC) is a new secure quantum computing protocol which allows a user Alice who does not have any sophisticated quantum technology to delegate her computing to a server Bob without leaking any privacy. Using the features of UBQC, we propose a protocol to achieve symmetrically private information retrieval, which allows a quantum limited Alice to query an item from Bob with a fully fledged quantum computer; meanwhile, the privacy of both parties is preserved. The security of our protocol is based on the assumption that malicious Alice has no quantum computer, which avoids the impossibility proof of Lo. For the honest Alice, she is almost classical and only requires minimal quantum resources to carry out the proposed protocol. Therefore, she does not need any expensive laboratory which can maintain the coherence of complicated quantum experimental setups.

Coupled Aerodynamic and Structural Sensitivity Analysis of a High-Speed Civil Transport

NASA Technical Reports Server (NTRS)

Mason, B. H.; Walsh, J. L.

2001-01-01

An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity, finite-element structural analysis and computational fluid dynamics aerodynamic analysis. In a previous study, a multi-disciplinary analysis system for a high-speed civil transport was formulated to integrate a set of existing discipline analysis codes, some of them computationally intensive, This paper is an extension of the previous study, in which the sensitivity analysis for the coupled aerodynamic and structural analysis problem is formulated and implemented. Uncoupled stress sensitivities computed with a constant load vector in a commercial finite element analysis code are compared to coupled aeroelastic sensitivities computed by finite differences. The computational expense of these sensitivity calculation methods is discussed.

Current CFD Practices in Launch Vehicle Applications

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kiris, Cetin

2012-01-01

The quest for sustained space exploration will require the development of advanced launch vehicles, and efficient and reliable operating systems. Development of launch vehicles via test-fail-fix approach is very expensive and time consuming. For decision making, modeling and simulation (M&S) has played increasingly important roles in many aspects of launch vehicle development. It is therefore essential to develop and maintain most advanced M&S capability. More specifically computational fluid dynamics (CFD) has been providing critical data for developing launch vehicles complementing expensive testing. During the past three decades CFD capability has increased remarkably along with advances in computer hardware and computing technology. However, most of the fundamental CFD capability in launch vehicle applications is derived from the past advances. Specific gaps in the solution procedures are being filled primarily through "piggy backed" efforts.on various projects while solving today's problems. Therefore, some of the advanced capabilities are not readily available for various new tasks, and mission-support problems are often analyzed using ad hoc approaches. The current report is intended to present our view on state-of-the-art (SOA) in CFD and its shortcomings in support of space transport vehicle development. Best practices in solving current issues will be discussed using examples from ascending launch vehicles. Some of the pacing will be discussed in conjunction with these examples.

Using Multistate Reweighting to Rapidly and Efficiently Explore Molecular Simulation Parameters Space for Nonbonded Interactions.

PubMed

Paliwal, Himanshu; Shirts, Michael R

2013-11-12

Multistate reweighting methods such as the multistate Bennett acceptance ratio (MBAR) can predict free energies and expectation values of thermodynamic observables at poorly sampled or unsampled thermodynamic states using simulations performed at only a few sampled states combined with single point energy reevaluations of these samples at the unsampled states. In this study, we demonstrate the power of this general reweighting formalism by exploring the effect of simulation parameters controlling Coulomb and Lennard-Jones cutoffs on free energy calculations and other observables. Using multistate reweighting, we can quickly identify, with very high sensitivity, the computationally least expensive nonbonded parameters required to obtain a specified accuracy in observables compared to the answer obtained using an expensive "gold standard" set of parameters. We specifically examine free energy estimates of three molecular transformations in a benchmark molecular set as well as the enthalpy of vaporization of TIP3P. The results demonstrates the power of this multistate reweighting approach for measuring changes in free energy differences or other estimators with respect to simulation or model parameters with very high precision and/or very low computational effort. The results also help to identify which simulation parameters affect free energy calculations and provide guidance to determine which simulation parameters are both appropriate and computationally efficient in general.

Decay heat uncertainty for BWR used fuel due to modeling and nuclear data uncertainties

DOE PAGES

Ilas, Germina; Liljenfeldt, Henrik

2017-05-19

Characterization of the energy released from radionuclide decay in nuclear fuel discharged from reactors is essential for the design, safety, and licensing analyses of used nuclear fuel storage, transportation, and repository systems. There are a limited number of decay heat measurements available for commercial used fuel applications. Because decay heat measurements can be expensive or impractical for covering the multitude of existing fuel designs, operating conditions, and specific application purposes, decay heat estimation relies heavily on computer code prediction. Uncertainty evaluation for calculated decay heat is an important aspect when assessing code prediction and a key factor supporting decision makingmore » for used fuel applications. While previous studies have largely focused on uncertainties in code predictions due to nuclear data uncertainties, this study discusses uncertainties in calculated decay heat due to uncertainties in assembly modeling parameters as well as in nuclear data. Capabilities in the SCALE nuclear analysis code system were used to quantify the effect on calculated decay heat of uncertainties in nuclear data and selected manufacturing and operation parameters for a typical boiling water reactor (BWR) fuel assembly. Furthermore, the BWR fuel assembly used as the reference case for this study was selected from a set of assemblies for which high-quality decay heat measurements are available, to assess the significance of the results through comparison with calculated and measured decay heat data.« less

Decay heat uncertainty for BWR used fuel due to modeling and nuclear data uncertainties

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

Ilas, Germina; Liljenfeldt, Henrik

Characterization of the energy released from radionuclide decay in nuclear fuel discharged from reactors is essential for the design, safety, and licensing analyses of used nuclear fuel storage, transportation, and repository systems. There are a limited number of decay heat measurements available for commercial used fuel applications. Because decay heat measurements can be expensive or impractical for covering the multitude of existing fuel designs, operating conditions, and specific application purposes, decay heat estimation relies heavily on computer code prediction. Uncertainty evaluation for calculated decay heat is an important aspect when assessing code prediction and a key factor supporting decision makingmore » for used fuel applications. While previous studies have largely focused on uncertainties in code predictions due to nuclear data uncertainties, this study discusses uncertainties in calculated decay heat due to uncertainties in assembly modeling parameters as well as in nuclear data. Capabilities in the SCALE nuclear analysis code system were used to quantify the effect on calculated decay heat of uncertainties in nuclear data and selected manufacturing and operation parameters for a typical boiling water reactor (BWR) fuel assembly. Furthermore, the BWR fuel assembly used as the reference case for this study was selected from a set of assemblies for which high-quality decay heat measurements are available, to assess the significance of the results through comparison with calculated and measured decay heat data.« less

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.

Simple, inexpensive computerized rodent activity meters.

PubMed

Horton, R M; Karachunski, P I; Kellermann, S A; Conti-Fine, B M

1995-10-01

We describe two approaches for using obsolescent computers, either an IBM PC XT or an Apple Macintosh Plus, to accurately quantify spontaneous rodent activity, as revealed by continuous monitoring of the spontaneous usage of running activity wheels. Because such computers can commonly be obtained at little or no expense, and other commonly available materials and inexpensive parts can be used, these meters can be built quite economically. Construction of these meters requires no specialized electronics expertise, and their software requirements are simple. The computer interfaces are potentially of general interest, as they could also be used for monitoring a variety of events in a research setting.

Reduced-Order Models for the Aeroelastic Analysis of Ares Launch Vehicles

NASA Technical Reports Server (NTRS)

Silva, Walter A.; Vatsa, Veer N.; Biedron, Robert T.

2010-01-01

This document presents the development and application of unsteady aerodynamic, structural dynamic, and aeroelastic reduced-order models (ROMs) for the ascent aeroelastic analysis of the Ares I-X flight test and Ares I crew launch vehicles using the unstructured-grid, aeroelastic FUN3D computational fluid dynamics (CFD) code. The purpose of this work is to perform computationally-efficient aeroelastic response calculations that would be prohibitively expensive via computation of multiple full-order aeroelastic FUN3D solutions. These efficient aeroelastic ROM solutions provide valuable insight regarding the aeroelastic sensitivity of the vehicles to various parameters over a range of dynamic pressures.

Improving the Aircraft Design Process Using Web-Based Modeling and Simulation

NASA Technical Reports Server (NTRS)

Reed, John A.; Follen, Gregory J.; Afjeh, Abdollah A.; Follen, Gregory J. (Technical Monitor)

2000-01-01

Designing and developing new aircraft systems is time-consuming and expensive. Computational simulation is a promising means for reducing design cycle times, but requires a flexible software environment capable of integrating advanced multidisciplinary and multifidelity analysis methods, dynamically managing data across heterogeneous computing platforms, and distributing computationally complex tasks. Web-based simulation, with its emphasis on collaborative composition of simulation models, distributed heterogeneous execution, and dynamic multimedia documentation, has the potential to meet these requirements. This paper outlines the current aircraft design process, highlighting its problems and complexities, and presents our vision of an aircraft design process using Web-based modeling and simulation.

Improving the Aircraft Design Process Using Web-based Modeling and Simulation

NASA Technical Reports Server (NTRS)

Reed, John A.; Follen, Gregory J.; Afjeh, Abdollah A.

2003-01-01

Designing and developing new aircraft systems is time-consuming and expensive. Computational simulation is a promising means for reducing design cycle times, but requires a flexible software environment capable of integrating advanced multidisciplinary and muitifidelity analysis methods, dynamically managing data across heterogeneous computing platforms, and distributing computationally complex tasks. Web-based simulation, with its emphasis on collaborative composition of simulation models, distributed heterogeneous execution, and dynamic multimedia documentation, has the potential to meet these requirements. This paper outlines the current aircraft design process, highlighting its problems and complexities, and presents our vision of an aircraft design process using Web-based modeling and simulation.

Code IN Exhibits - Supercomputing 2000

NASA Technical Reports Server (NTRS)

Yarrow, Maurice; McCann, Karen M.; Biswas, Rupak; VanderWijngaart, Rob F.; Kwak, Dochan (Technical Monitor)

2000-01-01

The creation of parameter study suites has recently become a more challenging problem as the parameter studies have become multi-tiered and the computational environment has become a supercomputer grid. The parameter spaces are vast, the individual problem sizes are getting larger, and researchers are seeking to combine several successive stages of parameterization and computation. Simultaneously, grid-based computing offers immense resource opportunities but at the expense of great difficulty of use. We present ILab, an advanced graphical user interface approach to this problem. Our novel strategy stresses intuitive visual design tools for parameter study creation and complex process specification, and also offers programming-free access to grid-based supercomputer resources and process automation.

Adjoint sensitivity analysis of plasmonic structures using the FDTD method.

PubMed

Zhang, Yu; Ahmed, Osman S; Bakr, Mohamed H

2014-05-15

We present an adjoint variable method for estimating the sensitivities of arbitrary responses with respect to the parameters of dispersive discontinuities in nanoplasmonic devices. Our theory is formulated in terms of the electric field components at the vicinity of perturbed discontinuities. The adjoint sensitivities are computed using at most one extra finite-difference time-domain (FDTD) simulation regardless of the number of parameters. Our approach is illustrated through the sensitivity analysis of an add-drop coupler consisting of a square ring resonator between two parallel waveguides. The computed adjoint sensitivities of the scattering parameters are compared with those obtained using the accurate but computationally expensive central finite difference approach.

The successful merger of theoretical thermochemistry with fragment-based methods in quantum chemistry.

PubMed

Ramabhadran, Raghunath O; Raghavachari, Krishnan

2014-12-16

CONSPECTUS: Quantum chemistry and electronic structure theory have proven to be essential tools to the experimental chemist, in terms of both a priori predictions that pave the way for designing new experiments and rationalizing experimental observations a posteriori. Translating the well-established success of electronic structure theory in obtaining the structures and energies of small chemical systems to increasingly larger molecules is an exciting and ongoing central theme of research in quantum chemistry. However, the prohibitive computational scaling of highly accurate ab initio electronic structure methods poses a fundamental challenge to this research endeavor. This scenario necessitates an indirect fragment-based approach wherein a large molecule is divided into small fragments and is subsequently reassembled to compute its energy accurately. In our quest to further reduce the computational expense associated with the fragment-based methods and overall enhance the applicability of electronic structure methods to large molecules, we realized that the broad ideas involved in a different area, theoretical thermochemistry, are transferable to the area of fragment-based methods. This Account focuses on the effective merger of these two disparate frontiers in quantum chemistry and how new concepts inspired by theoretical thermochemistry significantly reduce the total number of electronic structure calculations needed to be performed as part of a fragment-based method without any appreciable loss of accuracy. Throughout, the generalized connectivity based hierarchy (CBH), which we developed to solve a long-standing problem in theoretical thermochemistry, serves as the linchpin in this merger. The accuracy of our method is based on two strong foundations: (a) the apt utilization of systematic and sophisticated error-canceling schemes via CBH that result in an optimal cutting scheme at any given level of fragmentation and (b) the use of a less expensive second layer of electronic structure method to recover all the missing long-range interactions in the parent large molecule. Overall, the work featured here dramatically decreases the computational expense and empowers the execution of very accurate ab initio calculations (gold-standard CCSD(T)) on large molecules and thereby facilitates sophisticated electronic structure applications to a wide range of important chemical problems.

A Practical, Robust Methodology for Acquiring New Observation Data Using Computationally Expensive Groundwater Models

NASA Astrophysics Data System (ADS)

Siade, Adam J.; Hall, Joel; Karelse, Robert N.

2017-11-01

Regional groundwater flow models play an important role in decision making regarding water resources; however, the uncertainty embedded in model parameters and model assumptions can significantly hinder the reliability of model predictions. One way to reduce this uncertainty is to collect new observation data from the field. However, determining where and when to obtain such data is not straightforward. There exist a number of data-worth and experimental design strategies developed for this purpose. However, these studies often ignore issues related to real-world groundwater models such as computational expense, existing observation data, high-parameter dimension, etc. In this study, we propose a methodology, based on existing methods and software, to efficiently conduct such analyses for large-scale, complex regional groundwater flow systems for which there is a wealth of available observation data. The method utilizes the well-established d-optimality criterion, and the minimax criterion for robust sampling strategies. The so-called Null-Space Monte Carlo method is used to reduce the computational burden associated with uncertainty quantification. And, a heuristic methodology, based on the concept of the greedy algorithm, is proposed for developing robust designs with subsets of the posterior parameter samples. The proposed methodology is tested on a synthetic regional groundwater model, and subsequently applied to an existing, complex, regional groundwater system in the Perth region of Western Australia. The results indicate that robust designs can be obtained efficiently, within reasonable computational resources, for making regional decisions regarding groundwater level sampling.

Learning Optimized Local Difference Binaries for Scalable Augmented Reality on Mobile Devices.

PubMed

Xin Yang; Kwang-Ting Cheng

2014-06-01

The efficiency, robustness and distinctiveness of a feature descriptor are critical to the user experience and scalability of a mobile augmented reality (AR) system. However, existing descriptors are either too computationally expensive to achieve real-time performance on a mobile device such as a smartphone or tablet, or not sufficiently robust and distinctive to identify correct matches from a large database. As a result, current mobile AR systems still only have limited capabilities, which greatly restrict their deployment in practice. In this paper, we propose a highly efficient, robust and distinctive binary descriptor, called Learning-based Local Difference Binary (LLDB). LLDB directly computes a binary string for an image patch using simple intensity and gradient difference tests on pairwise grid cells within the patch. To select an optimized set of grid cell pairs, we densely sample grid cells from an image patch and then leverage a modified AdaBoost algorithm to automatically extract a small set of critical ones with the goal of maximizing the Hamming distance between mismatches while minimizing it between matches. Experimental results demonstrate that LLDB is extremely fast to compute and to match against a large database due to its high robustness and distinctiveness. Compared to the state-of-the-art binary descriptors, primarily designed for speed, LLDB has similar efficiency for descriptor construction, while achieving a greater accuracy and faster matching speed when matching over a large database with 2.3M descriptors on mobile devices.

Efficient Privacy-Aware Record Integration.

PubMed

Kuzu, Mehmet; Kantarcioglu, Murat; Inan, Ali; Bertino, Elisa; Durham, Elizabeth; Malin, Bradley

2013-01-01

The integration of information dispersed among multiple repositories is a crucial step for accurate data analysis in various domains. In support of this goal, it is critical to devise procedures for identifying similar records across distinct data sources. At the same time, to adhere to privacy regulations and policies, such procedures should protect the confidentiality of the individuals to whom the information corresponds. Various private record linkage (PRL) protocols have been proposed to achieve this goal, involving secure multi-party computation (SMC) and similarity preserving data transformation techniques. SMC methods provide secure and accurate solutions to the PRL problem, but are prohibitively expensive in practice, mainly due to excessive computational requirements. Data transformation techniques offer more practical solutions, but incur the cost of information leakage and false matches. In this paper, we introduce a novel model for practical PRL, which 1) affords controlled and limited information leakage, 2) avoids false matches resulting from data transformation. Initially, we partition the data sources into blocks to eliminate comparisons for records that are unlikely to match. Then, to identify matches, we apply an efficient SMC technique between the candidate record pairs. To enable efficiency and privacy, our model leaks a controlled amount of obfuscated data prior to the secure computations. Applied obfuscation relies on differential privacy which provides strong privacy guarantees against adversaries with arbitrary background knowledge. In addition, we illustrate the practical nature of our approach through an empirical analysis with data derived from public voter records.

Radiative Transfer Modeling of a Large Pool Fire by Discrete Ordinates, Discrete Transfer, Ray Tracing, Monte Carlo and Moment Methods

NASA Technical Reports Server (NTRS)

Jensen, K. A.; Ripoll, J.-F.; Wray, A. A.; Joseph, D.; ElHafi, M.

2004-01-01

Five computational methods for solution of the radiative transfer equation in an absorbing-emitting and non-scattering gray medium were compared on a 2 m JP-8 pool fire. The temperature and absorption coefficient fields were taken from a synthetic fire due to the lack of a complete set of experimental data for fires of this size. These quantities were generated by a code that has been shown to agree well with the limited quantity of relevant data in the literature. Reference solutions to the governing equation were determined using the Monte Carlo method and a ray tracing scheme with high angular resolution. Solutions using the discrete transfer method, the discrete ordinate method (DOM) with both S(sub 4) and LC(sub 11) quadratures, and moment model using the M(sub 1) closure were compared to the reference solutions in both isotropic and anisotropic regions of the computational domain. DOM LC(sub 11) is shown to be the more accurate than the commonly used S(sub 4) quadrature technique, especially in anisotropic regions of the fire domain. This represents the first study where the M(sub 1) method was applied to a combustion problem occurring in a complex three-dimensional geometry. The M(sub 1) results agree well with other solution techniques, which is encouraging for future applications to similar problems since it is computationally the least expensive solution technique. Moreover, M(sub 1) results are comparable to DOM S(sub 4).

Molecular dynamics simulations and applications in computational toxicology and nanotoxicology.

PubMed

Selvaraj, Chandrabose; Sakkiah, Sugunadevi; Tong, Weida; Hong, Huixiao

2018-02-01

Nanotoxicology studies toxicity of nanomaterials and has been widely applied in biomedical researches to explore toxicity of various biological systems. Investigating biological systems through in vivo and in vitro methods is expensive and time taking. Therefore, computational toxicology, a multi-discipline field that utilizes computational power and algorithms to examine toxicology of biological systems, has gained attractions to scientists. Molecular dynamics (MD) simulations of biomolecules such as proteins and DNA are popular for understanding of interactions between biological systems and chemicals in computational toxicology. In this paper, we review MD simulation methods, protocol for running MD simulations and their applications in studies of toxicity and nanotechnology. We also briefly summarize some popular software tools for execution of MD simulations. Published by Elsevier Ltd.

Adaptive Crack Modeling with Interface Solid Elements for Plain and Fiber Reinforced Concrete Structures.

PubMed

Zhan, Yijian; Meschke, Günther

2017-07-08

The effective analysis of the nonlinear behavior of cement-based engineering structures not only demands physically-reliable models, but also computationally-efficient algorithms. Based on a continuum interface element formulation that is suitable to capture complex cracking phenomena in concrete materials and structures, an adaptive mesh processing technique is proposed for computational simulations of plain and fiber-reinforced concrete structures to progressively disintegrate the initial finite element mesh and to add degenerated solid elements into the interfacial gaps. In comparison with the implementation where the entire mesh is processed prior to the computation, the proposed adaptive cracking model allows simulating the failure behavior of plain and fiber-reinforced concrete structures with remarkably reduced computational expense.

Efficient computation of photonic crystal waveguide modes with dispersive material.

PubMed

Schmidt, Kersten; Kappeler, Roman

2010-03-29

The optimization of PhC waveguides is a key issue for successfully designing PhC devices. Since this design task is computationally expensive, efficient methods are demanded. The available codes for computing photonic bands are also applied to PhC waveguides. They are reliable but not very efficient, which is even more pronounced for dispersive material. We present a method based on higher order finite elements with curved cells, which allows to solve for the band structure taking directly into account the dispersiveness of the materials. This is accomplished by reformulating the wave equations as a linear eigenproblem in the complex wave-vectors k. For this method, we demonstrate the high efficiency for the computation of guided PhC waveguide modes by a convergence analysis.

Adaptive Crack Modeling with Interface Solid Elements for Plain and Fiber Reinforced Concrete Structures

PubMed Central

Zhan, Yijian

2017-01-01

The effective analysis of the nonlinear behavior of cement-based engineering structures not only demands physically-reliable models, but also computationally-efficient algorithms. Based on a continuum interface element formulation that is suitable to capture complex cracking phenomena in concrete materials and structures, an adaptive mesh processing technique is proposed for computational simulations of plain and fiber-reinforced concrete structures to progressively disintegrate the initial finite element mesh and to add degenerated solid elements into the interfacial gaps. In comparison with the implementation where the entire mesh is processed prior to the computation, the proposed adaptive cracking model allows simulating the failure behavior of plain and fiber-reinforced concrete structures with remarkably reduced computational expense. PMID:28773130

Enabling Earth Science: The Facilities and People of the NCCS

NASA Technical Reports Server (NTRS)

2002-01-01

The NCCS's mass data storage system allows scientists to store and manage the vast amounts of data generated by these computations, and its high-speed network connections allow the data to be accessed quickly from the NCCS archives. Some NCCS users perform studies that are directly related to their ability to run computationally expensive and data-intensive simulations. Because the number and type of questions scientists research often are limited by computing power, the NCCS continually pursues the latest technologies in computing, mass storage, and networking technologies. Just as important as the processors, tapes, and routers of the NCCS are the personnel who administer this hardware, create and manage accounts, maintain security, and assist the scientists, often working one on one with them.

GPU accelerated edge-region based level set evolution constrained by 2D gray-scale histogram.

PubMed

Balla-Arabé, Souleymane; Gao, Xinbo; Wang, Bin

2013-07-01

Due to its intrinsic nature which allows to easily handle complex shapes and topological changes, the level set method (LSM) has been widely used in image segmentation. Nevertheless, LSM is computationally expensive, which limits its applications in real-time systems. For this purpose, we propose a new level set algorithm, which uses simultaneously edge, region, and 2D histogram information in order to efficiently segment objects of interest in a given scene. The computational complexity of the proposed LSM is greatly reduced by using the highly parallelizable lattice Boltzmann method (LBM) with a body force to solve the level set equation (LSE). The body force is the link with image data and is defined from the proposed LSE. The proposed LSM is then implemented using an NVIDIA graphics processing units to fully take advantage of the LBM local nature. The new algorithm is effective, robust against noise, independent to the initial contour, fast, and highly parallelizable. The edge and region information enable to detect objects with and without edges, and the 2D histogram information enable the effectiveness of the method in a noisy environment. Experimental results on synthetic and real images demonstrate subjectively and objectively the performance of the proposed method.

Adaptive reduction of constitutive model-form error using a posteriori error estimation techniques

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

Bishop, Joseph E.; Brown, Judith Alice

In engineering practice, models are typically kept as simple as possible for ease of setup and use, computational efficiency, maintenance, and overall reduced complexity to achieve robustness. In solid mechanics, a simple and efficient constitutive model may be favored over one that is more predictive, but is difficult to parameterize, is computationally expensive, or is simply not available within a simulation tool. In order to quantify the modeling error due to the choice of a relatively simple and less predictive constitutive model, we adopt the use of a posteriori model-form error-estimation techniques. Based on local error indicators in the energymore » norm, an algorithm is developed for reducing the modeling error by spatially adapting the material parameters in the simpler constitutive model. The resulting material parameters are not material properties per se, but depend on the given boundary-value problem. As a first step to the more general nonlinear case, we focus here on linear elasticity in which the “complex” constitutive model is general anisotropic elasticity and the chosen simpler model is isotropic elasticity. As a result, the algorithm for adaptive error reduction is demonstrated using two examples: (1) A transversely-isotropic plate with hole subjected to tension, and (2) a transversely-isotropic tube with two side holes subjected to torsion.« less

Hybrid approach combining multiple characterization techniques and simulations for microstructural analysis of proton exchange membrane fuel cell electrodes

NASA Astrophysics Data System (ADS)

Cetinbas, Firat C.; Ahluwalia, Rajesh K.; Kariuki, Nancy; De Andrade, Vincent; Fongalland, Dash; Smith, Linda; Sharman, Jonathan; Ferreira, Paulo; Rasouli, Somaye; Myers, Deborah J.

2017-03-01

The cost and performance of proton exchange membrane fuel cells strongly depend on the cathode electrode due to usage of expensive platinum (Pt) group metal catalyst and sluggish reaction kinetics. Development of low Pt content high performance cathodes requires comprehensive understanding of the electrode microstructure. In this study, a new approach is presented to characterize the detailed cathode electrode microstructure from nm to μm length scales by combining information from different experimental techniques. In this context, nano-scale X-ray computed tomography (nano-CT) is performed to extract the secondary pore space of the electrode. Transmission electron microscopy (TEM) is employed to determine primary C particle and Pt particle size distributions. X-ray scattering, with its ability to provide size distributions of orders of magnitude more particles than TEM, is used to confirm the TEM-determined size distributions. The number of primary pores that cannot be resolved by nano-CT is approximated using mercury intrusion porosimetry. An algorithm is developed to incorporate all these experimental data in one geometric representation. Upon validation of pore size distribution against gas adsorption and mercury intrusion porosimetry data, reconstructed ionomer size distribution is reported. In addition, transport related characteristics and effective properties are computed by performing simulations on the hybrid microstructure.

Molecular Dynamics based on a Generalized Born solvation model: application to protein folding

NASA Astrophysics Data System (ADS)

Onufriev, Alexey

2004-03-01

An accurate description of the aqueous environment is essential for realistic biomolecular simulations, but may become very expensive computationally. We have developed a version of the Generalized Born model suitable for describing large conformational changes in macromolecules. The model represents the solvent implicitly as continuum with the dielectric properties of water, and include charge screening effects of salt. The computational cost associated with the use of this model in Molecular Dynamics simulations is generally considerably smaller than the cost of representing water explicitly. Also, compared to traditional Molecular Dynamics simulations based on explicit water representation, conformational changes occur much faster in implicit solvation environment due to the absence of viscosity. The combined speed-up allow one to probe conformational changes that occur on much longer effective time-scales. We apply the model to folding of a 46-residue three helix bundle protein (residues 10-55 of protein A, PDB ID 1BDD). Starting from an unfolded structure at 450 K, the protein folds to the lowest energy state in 6 ns of simulation time, which takes about a day on a 16 processor SGI machine. The predicted structure differs from the native one by 2.4 A (backbone RMSD). Analysis of the structures seen on the folding pathway reveals details of the folding process unavailable form experiment.

Adaptive reduction of constitutive model-form error using a posteriori error estimation techniques

DOE PAGES

Bishop, Joseph E.; Brown, Judith Alice

2018-06-15

In engineering practice, models are typically kept as simple as possible for ease of setup and use, computational efficiency, maintenance, and overall reduced complexity to achieve robustness. In solid mechanics, a simple and efficient constitutive model may be favored over one that is more predictive, but is difficult to parameterize, is computationally expensive, or is simply not available within a simulation tool. In order to quantify the modeling error due to the choice of a relatively simple and less predictive constitutive model, we adopt the use of a posteriori model-form error-estimation techniques. Based on local error indicators in the energymore » norm, an algorithm is developed for reducing the modeling error by spatially adapting the material parameters in the simpler constitutive model. The resulting material parameters are not material properties per se, but depend on the given boundary-value problem. As a first step to the more general nonlinear case, we focus here on linear elasticity in which the “complex” constitutive model is general anisotropic elasticity and the chosen simpler model is isotropic elasticity. As a result, the algorithm for adaptive error reduction is demonstrated using two examples: (1) A transversely-isotropic plate with hole subjected to tension, and (2) a transversely-isotropic tube with two side holes subjected to torsion.« less

Evaluation of a low-cost 3D sound system for immersive virtual reality training systems.

PubMed

Doerr, Kai-Uwe; Rademacher, Holger; Huesgen, Silke; Kubbat, Wolfgang

2007-01-01

Since Head Mounted Displays (HMD), datagloves, tracking systems, and powerful computer graphics resources are nowadays in an affordable price range, the usage of PC-based "Virtual Training Systems" becomes very attractive. However, due to the limited field of view of HMD devices, additional modalities have to be provided to benefit from 3D environments. A 3D sound simulation can improve the capabilities of VR systems dramatically. Unfortunately, realistic 3D sound simulations are expensive and demand a tremendous amount of computational power to calculate reverberation, occlusion, and obstruction effects. To use 3D sound in a PC-based training system as a way to direct and guide trainees to observe specific events in 3D space, a cheaper alternative has to be provided, so that a broader range of applications can take advantage of this modality. To address this issue, we focus in this paper on the evaluation of a low-cost 3D sound simulation that is capable of providing traceable 3D sound events. We describe our experimental system setup using conventional stereo headsets in combination with a tracked HMD device and present our results with regard to precision, speed, and used signal types for localizing simulated sound events in a virtual training environment.

Social computing for image matching

PubMed Central

Rivas, Alberto; Sánchez-Torres, Ramiro; Rodríguez, Sara

2018-01-01

One of the main technological trends in the last five years is mass data analysis. This trend is due in part to the emergence of concepts such as social networks, which generate a large volume of data that can provide added value through their analysis. This article is focused on a business and employment-oriented social network. More specifically, it focuses on the analysis of information provided by different users in image form. The images are analyzed to detect whether other existing users have posted or talked about the same image, even if the image has undergone some type of modification such as watermarks or color filters. This makes it possible to establish new connections among unknown users by detecting what they are posting or whether they are talking about the same images. The proposed solution consists of an image matching algorithm, which is based on the rapid calculation and comparison of hashes. However, there is a computationally expensive aspect in charge of revoking possible image transformations. As a result, the image matching process is supported by a distributed forecasting system that enables or disables nodes to serve all the possible requests. The proposed system has shown promising results for matching modified images, especially when compared with other existing systems. PMID:29813082

GPU-powered model analysis with PySB/cupSODA.

PubMed

Harris, Leonard A; Nobile, Marco S; Pino, James C; Lubbock, Alexander L R; Besozzi, Daniela; Mauri, Giancarlo; Cazzaniga, Paolo; Lopez, Carlos F

2017-11-01

A major barrier to the practical utilization of large, complex models of biochemical systems is the lack of open-source computational tools to evaluate model behaviors over high-dimensional parameter spaces. This is due to the high computational expense of performing thousands to millions of model simulations required for statistical analysis. To address this need, we have implemented a user-friendly interface between cupSODA, a GPU-powered kinetic simulator, and PySB, a Python-based modeling and simulation framework. For three example models of varying size, we show that for large numbers of simulations PySB/cupSODA achieves order-of-magnitude speedups relative to a CPU-based ordinary differential equation integrator. The PySB/cupSODA interface has been integrated into the PySB modeling framework (version 1.4.0), which can be installed from the Python Package Index (PyPI) using a Python package manager such as pip. cupSODA source code and precompiled binaries (Linux, Mac OS/X, Windows) are available at github.com/aresio/cupSODA (requires an Nvidia GPU; developer.nvidia.com/cuda-gpus). Additional information about PySB is available at pysb.org. paolo.cazzaniga@unibg.it or c.lopez@vanderbilt.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

Efficient Semiparametric Inference Under Two-Phase Sampling, With Applications to Genetic Association Studies.

PubMed

Tao, Ran; Zeng, Donglin; Lin, Dan-Yu

2017-01-01

In modern epidemiological and clinical studies, the covariates of interest may involve genome sequencing, biomarker assay, or medical imaging and thus are prohibitively expensive to measure on a large number of subjects. A cost-effective solution is the two-phase design, under which the outcome and inexpensive covariates are observed for all subjects during the first phase and that information is used to select subjects for measurements of expensive covariates during the second phase. For example, subjects with extreme values of quantitative traits were selected for whole-exome sequencing in the National Heart, Lung, and Blood Institute (NHLBI) Exome Sequencing Project (ESP). Herein, we consider general two-phase designs, where the outcome can be continuous or discrete, and inexpensive covariates can be continuous and correlated with expensive covariates. We propose a semiparametric approach to regression analysis by approximating the conditional density functions of expensive covariates given inexpensive covariates with B-spline sieves. We devise a computationally efficient and numerically stable EM-algorithm to maximize the sieve likelihood. In addition, we establish the consistency, asymptotic normality, and asymptotic efficiency of the estimators. Furthermore, we demonstrate the superiority of the proposed methods over existing ones through extensive simulation studies. Finally, we present applications to the aforementioned NHLBI ESP.

Crunching Knowledge: The Coming Environment for the Information Specialist.

ERIC Educational Resources Information Center

Nelson, Milo

The adjustment of librarians to technological change has been difficult because they have been too close observers of the present at the expense of daydreaming about society's likely future. The brisk pace of business, industry, and Wall Street has been accelerated even more by developments in information technology and computer communications. A…

Optimize Resources and Help Reduce Cost of Ownership with Dell[TM] Systems Management

ERIC Educational Resources Information Center

Technology & Learning, 2008

2008-01-01

Maintaining secure, convenient administration of the PC system environment can be a significant drain on resources. Deskside visits can greatly increase the cost of supporting a large number of computers. Even simple tasks, such as tracking inventory or updating software, quickly become expensive when they require physically visiting every…

19 CFR 10.710 - Value-content requirement.

Code of Federal Regulations, 2010 CFR

2010-04-01

..., character, or use, which is then used in Jordan in the production or manufacture of a new or different... production or manufacture of a new or different article of commerce that is imported into the United States... determined by computing the sum of: (A) All expenses incurred in the growth, production, or manufacture of...

A Simple, Low-Cost, Data-Logging Pendulum Built from a Computer Mouse

ERIC Educational Resources Information Center

Gintautas, Vadas; Hubler, Alfred

2009-01-01

Lessons and homework problems involving a pendulum are often a big part of introductory physics classes and laboratory courses from high school to undergraduate levels. Although laboratory equipment for pendulum experiments is commercially available, it is often expensive and may not be affordable for teachers on fixed budgets, particularly in…

26 CFR 1.863-3 - Allocation and apportionment of income from certain sales of inventory.

Code of Federal Regulations, 2010 CFR

2010-04-01

... income from sources within and without the United States determined under the 50/50 method. Research and... Possession Purchase Sales—(A) Business activity method. Gross income from Possession Purchase Sales is... from Possession Purchase Sales computed under the business activity method, the amounts of expenses...

30 CFR 206.353 - How do I determine transmission deductions?

Code of Federal Regulations, 2010 CFR

2010-07-01

...) Depreciation under paragraphs (g) and (h) of this section and a return on undepreciated capital investment under paragraphs (g) and (i) of this section or (iv) A return on the capital investment in the..., are not allowable expenses. (g) To compute costs associated with capital investment, a lessee may use...

30 CFR 206.354 - How do I determine generating deductions?

Code of Federal Regulations, 2010 CFR

2010-07-01

...) Depreciation under paragraphs (g) and (h) of this section and a return on undepreciated capital investment under paragraphs (g) and (i) of this section; or (iv) A return on capital investment in the power plant... allowable expenses. (g) To compute costs associated with capital investment, a lessee may use either...

An Authoring System for Creating Computer-Based Role-Performance Trainers.

ERIC Educational Resources Information Center

Guralnick, David; Kass, Alex

This paper describes a multimedia authoring system called MOPed-II. Like other authoring systems, MOPed-II reduces the time and expense of producing end-user applications by eliminating much of the programming effort they require. However, MOPed-II reflects an approach to authoring tools for educational multimedia which is different from most…

Cost Effective Computer-Assisted Legal Research, or When Two Are Better Than One.

ERIC Educational Resources Information Center

Griffith, Cary

1986-01-01

An analysis of pricing policies and costs of LEXIS and WESTLAW indicates that it is less expensive to subscribe to both using a PC microcomputer rather than a dedicated terminal. Rules for when to use each database are essential to lowering the costs of online legal research. (EM)

Hardware for Hard-Up Schools?

ERIC Educational Resources Information Center

St. John, Stuart A.

2012-01-01

The purpose of this work was to investigate ways in which everyday computers can be used in schools to fulfil several of the roles of more expensive, specialized laboratory equipment for teaching and learning purposes. The brief adopted was to keep things as straightforward as possible so that any school science department with a few basic tools…

12 CFR 563.170 - Examinations and audits; appraisals; establishment and maintenance of records.

Code of Federal Regulations, 2010 CFR

2010-01-01

... any time, by the Office, with appraisals when deemed advisable, in accordance with general policies from time to time established by the Office. The costs, as computed by the Office, of any examinations made by it, including office analysis, overhead, per diem, travel expense, other supervision by the...

Budgeting for Quality and Survival in the 21st Century--Guidelines for Directors.

ERIC Educational Resources Information Center

Whitehead, R. Ann

2003-01-01

Offers practical guidelines for directors of child care centers on creating a budget and managing the center's finances. Suggests ways to establish priorities, establish a tuition rate, compute projected monthly enrollment and income, budget variable and fixed expenses, create the final budget, and monitor financial statements. (JPB)

26 CFR 1.50B-4 - Partnerships.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 26 Internal Revenue 1 2010-04-01 2010-04-01 true Partnerships. 1.50B-4 Section 1.50B-4 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY INCOME TAX INCOME TAXES Rules for Computing Credit for Expenses of Work Incentive Programs § 1.50B-4 Partnerships. (a) General rule—(1) In general...

A glacier runoff extension to the Precipitation Runoff Modeling System

Treesearch

A. E. Van Beusekom; R. J. Viger

2016-01-01

A module to simulate glacier runoff, PRMSglacier, was added to PRMS (Precipitation Runoff Modeling System), a distributed-parameter, physical-process hydrological simulation code. The extension does not require extensive on-glacier measurements or computational expense but still relies on physical principles over empirical relations as much as is feasible while...

24 CFR 990.165 - Computation of project expense level (PEL).

Code of Federal Regulations, 2011 CFR

2011-04-01

...) Ownership type (profit, non-profit, or limited dividend); and (10) Geographic. (c) Cost adjustments. HUD... ceiling; (3) Application of a four percent reduction for any PEL calculated over $325 PUM, with the reduction limited so that a PEL will not be reduced to less than $325; and (4) The reduction of audit costs...

DYNER: A DYNamic ClustER for Education and Research

ERIC Educational Resources Information Center

Kehagias, Dimitris; Grivas, Michael; Mamalis, Basilis; Pantziou, Grammati

2006-01-01

Purpose: The purpose of this paper is to evaluate the use of a non-expensive dynamic computing resource, consisting of a Beowulf class cluster and a NoW, as an educational and research infrastructure. Design/methodology/approach: Clusters, built using commodity-off-the-shelf (COTS) hardware components and free, or commonly used, software, provide…

37 CFR 385.23 - Royalty rates and subscriber-based royalty floors for specific types of services.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Copyrights COPYRIGHT ROYALTY BOARD, LIBRARY OF CONGRESS RATES AND TERMS FOR STATUTORY LICENSES RATES AND... DIGITAL PHONORECORDS Limited Offerings, Mixed Service Bundles, Music Bundles, Paid Locker Services and... expensed for the rights to make the relevant permanent digital downloads and ringtones. (b) Computation of...

Simulating the fate of fall- and spring-applied poultry litter nitrogen in corn production

USDA-ARS?s Scientific Manuscript database

Monitoring the fate of N derived from manures applied to fertilize crops is difficult, time consuming, and relatively expensive. But computer simulation models can help understand the interactions among various N processes in the soil-plant system and determine the fate of applied N. The RZWQM2 was ...

State-of-the-art methods for testing materials outdoors

Treesearch

R. Sam Williams

2004-01-01

In recent years, computers, sensors, microelectronics, and communication technologies have made it possible to automate the way materials are tested in the field. It is now possible to purchase monitoring equipment to measure weather and materials properties. The measurement of materials response often requires innovative approaches and added expense, but the...

Introduction to Parallel Computing

DTIC Science & Technology

1992-05-01

Instruction Stream, Multiple Data Stream Machines .................... 19 2.4 Networks of M achines...independent memory units and connecting them to the processors by an interconnection network . Many different interconnection schemes have been considered, and...connected to the same processor at the same time. Crossbar switching networks are still too expensive to be practical for connecting large numbers of

Economical Unsteady High-Fidelity Aerodynamics for Structural Optimization with a Flutter Constraint

NASA Technical Reports Server (NTRS)

Bartels, Robert E.; Stanford, Bret K.

2017-01-01

Structural optimization with a flutter constraint for a vehicle designed to fly in the transonic regime is a particularly difficult task. In this speed range, the flutter boundary is very sensitive to aerodynamic nonlinearities, typically requiring high-fidelity Navier-Stokes simulations. However, the repeated application of unsteady computational fluid dynamics to guide an aeroelastic optimization process is very computationally expensive. This expense has motivated the development of methods that incorporate aspects of the aerodynamic nonlinearity, classical tools of flutter analysis, and more recent methods of optimization. While it is possible to use doublet lattice method aerodynamics, this paper focuses on the use of an unsteady high-fidelity aerodynamic reduced order model combined with successive transformations that allows for an economical way of utilizing high-fidelity aerodynamics in the optimization process. This approach is applied to the common research model wing structural design. As might be expected, the high-fidelity aerodynamics produces a heavier wing than that optimized with doublet lattice aerodynamics. It is found that the optimized lower skin of the wing using high-fidelity aerodynamics differs significantly from that using doublet lattice aerodynamics.

Bayesian sensitivity analysis of bifurcating nonlinear models

NASA Astrophysics Data System (ADS)

Becker, W.; Worden, K.; Rowson, J.

2013-01-01

Sensitivity analysis allows one to investigate how changes in input parameters to a system affect the output. When computational expense is a concern, metamodels such as Gaussian processes can offer considerable computational savings over Monte Carlo methods, albeit at the expense of introducing a data modelling problem. In particular, Gaussian processes assume a smooth, non-bifurcating response surface. This work highlights a recent extension to Gaussian processes which uses a decision tree to partition the input space into homogeneous regions, and then fits separate Gaussian processes to each region. In this way, bifurcations can be modelled at region boundaries and different regions can have different covariance properties. To test this method, both the treed and standard methods were applied to the bifurcating response of a Duffing oscillator and a bifurcating FE model of a heart valve. It was found that the treed Gaussian process provides a practical way of performing uncertainty and sensitivity analysis on large, potentially-bifurcating models, which cannot be dealt with by using a single GP, although an open problem remains how to manage bifurcation boundaries that are not parallel to coordinate axes.

Signal decomposition for surrogate modeling of a constrained ultrasonic design space

NASA Astrophysics Data System (ADS)

Homa, Laura; Sparkman, Daniel; Wertz, John; Welter, John; Aldrin, John C.

2018-04-01

The U.S. Air Force seeks to improve the methods and measures by which the lifecycle of composite structures are managed. Nondestructive evaluation of damage - particularly internal damage resulting from impact - represents a significant input to that improvement. Conventional ultrasound can detect this damage; however, full 3D characterization has not been demonstrated. A proposed approach for robust characterization uses model-based inversion through fitting of simulated results to experimental data. One challenge with this approach is the high computational expense of the forward model to simulate the ultrasonic B-scans for each damage scenario. A potential solution is to construct a surrogate model using a subset of simulated ultrasonic scans built using a highly accurate, computationally expensive forward model. However, the dimensionality of these simulated B-scans makes interpolating between them a difficult and potentially infeasible problem. Thus, we propose using the chirplet decomposition to reduce the dimensionality of the data, and allow for interpolation in the chirplet parameter space. By applying the chirplet decomposition, we are able to extract the salient features in the data and construct a surrogate forward model.

A Quantitative Analysis of Virginia Public School Special Education Due Process Cases and Their Resolutions from 2004-2016

ERIC Educational Resources Information Center

Beaudoin-Saunders, Valerie Ann

2017-01-01

Special education-related lawsuits are a concern to school systems. They are time-consuming, expensive, and contentious. School and parental relationships become strained when litigation is involved. This study analyzed data from the Virginia Department of Education's due process database over a 12-year period of time to note common disabilities…

Boosting compound-protein interaction prediction by deep learning.

PubMed

Tian, Kai; Shao, Mingyu; Wang, Yang; Guan, Jihong; Zhou, Shuigeng

2016-11-01

The identification of interactions between compounds and proteins plays an important role in network pharmacology and drug discovery. However, experimentally identifying compound-protein interactions (CPIs) is generally expensive and time-consuming, computational approaches are thus introduced. Among these, machine-learning based methods have achieved a considerable success. However, due to the nonlinear and imbalanced nature of biological data, many machine learning approaches have their own limitations. Recently, deep learning techniques show advantages over many state-of-the-art machine learning methods in some applications. In this study, we aim at improving the performance of CPI prediction based on deep learning, and propose a method called DL-CPI (the abbreviation of Deep Learning for Compound-Protein Interactions prediction), which employs deep neural network (DNN) to effectively learn the representations of compound-protein pairs. Extensive experiments show that DL-CPI can learn useful features of compound-protein pairs by a layerwise abstraction, and thus achieves better prediction performance than existing methods on both balanced and imbalanced datasets. Copyright © 2016 Elsevier Inc. All rights reserved.

Best Practices for Crash Modeling and Simulation

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.

2002-01-01

Aviation safety can be greatly enhanced by the expeditious use of computer simulations of crash impact. Unlike automotive impact testing, which is now routine, experimental crash tests of even small aircraft are expensive and complex due to the high cost of the aircraft and the myriad of crash impact conditions that must be considered. Ultimately, the goal is to utilize full-scale crash simulations of aircraft for design evaluation and certification. The objective of this publication is to describe "best practices" for modeling aircraft impact using explicit nonlinear dynamic finite element codes such as LS-DYNA, DYNA3D, and MSC.Dytran. Although "best practices" is somewhat relative, it is hoped that the authors' experience will help others to avoid some of the common pitfalls in modeling that are not documented in one single publication. In addition, a discussion of experimental data analysis, digital filtering, and test-analysis correlation is provided. Finally, some examples of aircraft crash simulations are described in several appendices following the main report.

Time Domain Propagation of Quantum and Classical Systems using a Wavelet Basis Set Method

NASA Astrophysics Data System (ADS)

Lombardini, Richard; Nowara, Ewa; Johnson, Bruce

2015-03-01

The use of an orthogonal wavelet basis set (Optimized Maximum-N Generalized Coiflets) to effectively model physical systems in the time domain, in particular the electromagnetic (EM) pulse and quantum mechanical (QM) wavefunction, is examined in this work. Although past research has demonstrated the benefits of wavelet basis sets to handle computationally expensive problems due to their multiresolution properties, the overlapping supports of neighboring wavelet basis functions poses problems when dealing with boundary conditions, especially with material interfaces in the EM case. Specifically, this talk addresses this issue using the idea of derivative matching creating fictitious grid points (T.A. Driscoll and B. Fornberg), but replaces the latter element with fictitious wavelet projections in conjunction with wavelet reconstruction filters. Two-dimensional (2D) systems are analyzed, EM pulse incident on silver cylinders and the QM electron wave packet circling the proton in a hydrogen atom system (reduced to 2D), and the new wavelet method is compared to the popular finite-difference time-domain technique.

Risk Assessment of Carbon Sequestration into A Naturally Fractured Reservoir at Kevin Dome, Montana

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

Nguyen, Minh; Onishi, Tsubasa; Carey, James William

In this report, we describe risk assessment work done using the National Risk Assessment Partnership (NRAP) applied to CO 2 storage at Kevin Dome, Montana. Geologic CO 2 sequestration in saline aquifers poses certain risks including CO 2/brine leakage through wells or non-sealing faults into groundwater or to the land surface. These risks are difficult to quantify due to data availability and uncertainty. One solution is to explore the consequences of these limitations by running large numbers of numerical simulations on the primary CO2 injection reservoir, shallow reservoirs/aquifers, faults, and wells to assess leakage risks and uncertainties. However, a largemore » number of full-physics simulations is usually too computationally expensive. The NRAP integrated assessment model (NRAP-IAM) uses reduced order models (ROMs) developed from full-physics simulations to address this issue. A powerful stochastic framework allows NRAPIAM to explore complex interactions among many uncertain variables and evaluate the likely performance of potential sequestration sites.« less

Integration of the Response Surface Methodology with the Compromise Decision Support Problem in Developing a General Robust Design Procedure

NASA Technical Reports Server (NTRS)

Chen, Wei; Tsui, Kwok-Leung; Allen, Janet K.; Mistree, Farrokh

1994-01-01

In this paper we introduce a comprehensive and rigorous robust design procedure to overcome some limitations of the current approaches. A comprehensive approach is general enough to model the two major types of robust design applications, namely, robust design associated with the minimization of the deviation of performance caused by the deviation of noise factors (uncontrollable parameters), and robust design due to the minimization of the deviation of performance caused by the deviation of control factors (design variables). We achieve mathematical rigor by using, as a foundation, principles from the design of experiments and optimization. Specifically, we integrate the Response Surface Method (RSM) with the compromise Decision Support Problem (DSP). Our approach is especially useful for design problems where there are no closed-form solutions and system performance is computationally expensive to evaluate. The design of a solar powered irrigation system is used as an example. Our focus in this paper is on illustrating our approach rather than on the results per se.

An application of digital network technology to medical image management.

PubMed

Chu, W K; Smith, C L; Wobig, R K; Hahn, F A

1997-01-01

With the advent of network technology, there is considerable interest within the medical community to manage the storage and distribution of medical images by digital means. Higher workflow efficiency leading to better patient care is one of the commonly cited outcomes [1,2]. However, due to the size of medical image files and the unique requirements in detail and resolution, medical image management poses special challenges. Storage requirements are usually large, which implies expenses or investment costs make digital networking projects financially out of reach for many clinical institutions. New advances in network technology and telecommunication, in conjunction with the decreasing cost in computer devices, have made digital image management achievable. In our institution, we have recently completed a pilot project to distribute medical images both within the physical confines of the clinical enterprise as well as outside the medical center campus. The design concept and the configuration of a comprehensive digital image network is described in this report.

An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision

NASA Astrophysics Data System (ADS)

Yang, Dongzheng; Hu, Xixi; Zhang, Dong H.; Xie, Daiqian

2018-02-01

Solving the time-independent close coupling equations of a diatom-diatom inelastic collision system by using the rigorous close-coupling approach is numerically difficult because of its expensive matrix manipulation. The coupled-states approximation decouples the centrifugal matrix by neglecting the important Coriolis couplings completely. In this work, a new approximation method based on the coupled-states approximation is presented and applied to time-independent quantum dynamic calculations. This approach only considers the most important Coriolis coupling with the nearest neighbors and ignores weaker Coriolis couplings with farther K channels. As a result, it reduces the computational costs without a significant loss of accuracy. Numerical tests for para-H2+ortho-H2 and para-H2+HD inelastic collision were carried out and the results showed that the improved method dramatically reduces the errors due to the neglect of the Coriolis couplings in the coupled-states approximation. This strategy should be useful in quantum dynamics of other systems.

Evaluation of inflammatory activity in Crohn’s disease and ulcerative colitis

PubMed Central

Vilela, Eduardo Garcia; Torres, Henrique Osvaldo da Gama; Martins, Fabiana Paiva; Ferrari, Maria de Lourdes de Abreu; Andrade, Marcella Menezes; da Cunha, Aloísio Sales

2012-01-01

Crohn’s disease and ulcerative colitis evolve with a relapsing and remitting course. Determination of inflammatory state is crucial for the assessment of disease activity and for tailoring therapy. However, no simple diagnostic test for monitoring intestinal inflammation is available. Noninvasive markers give only indirect assessments of disease activity. Histopathological or endoscopical examinations accurately assess inflammatory activity, but they are invasive, time consuming and expensive and therefore are unsuitable for routine use. Imaging procedures are not applicable for ulcerative colitis. The usefulness of ultrasound and Doppler imaging in assessing disease activity is still a matter of discussion for Crohn’s disease, and an increased interest in computed tomography enterograph (CTE) has been seen, mainly because it can delineate the extent and severity of bowel wall inflammation, besides detecting extraluminal findings. Until now, the available data concerning the accuracy of magnetic resonance enterography in detecting disease activity is less than CTE. Due to this, clinical activity indices are still commonly used for both diseases. PMID:22408345

Fast interactive real-time volume rendering of real-time three-dimensional echocardiography: an implementation for low-end computers

NASA Technical Reports Server (NTRS)

Saracino, G.; Greenberg, N. L.; Shiota, T.; Corsi, C.; Lamberti, C.; Thomas, J. D.

2002-01-01

Real-time three-dimensional echocardiography (RT3DE) is an innovative cardiac imaging modality. However, partly due to lack of user-friendly software, RT3DE has not been widely accepted as a clinical tool. The object of this study was to develop and implement a fast and interactive volume renderer of RT3DE datasets designed for a clinical environment where speed and simplicity are not secondary to accuracy. Thirty-six patients (20 regurgitation, 8 normal, 8 cardiomyopathy) were imaged using RT3DE. Using our newly developed software, all 3D data sets were rendered in real-time throughout the cardiac cycle and assessment of cardiac function and pathology was performed for each case. The real-time interactive volume visualization system is user friendly and instantly provides consistent and reliable 3D images without expensive workstations or dedicated hardware. We believe that this novel tool can be used clinically for dynamic visualization of cardiac anatomy.

Modeling of Cluster-Induced Turbulence in Particle-Laden Channel Flow

NASA Astrophysics Data System (ADS)

Baker, Michael; Capecelatro, Jesse; Kong, Bo; Fox, Rodney; Desjardins, Olivier

2017-11-01

A phenomenon often observed in gas-solid flows is the formation of mesoscale clusters of particles due to the relative motion between the solid and fluid phases that is sustained through the dampening of collisional particle motion from interphase momentum coupling inside these clusters. The formation of such sustained clusters, leading to cluster-induced turbulence (CIT), can have a significant impact in industrial processes, particularly in regards to mixing, reaction progress, and heat transfer. Both Euler-Lagrange (EL) and Euler-Euler anisotropic Gaussian (EE-AG) approaches are used in this work to perform mesoscale simulations of CIT in fully developed gas-particle channel flow. The results from these simulations are applied in the development of a two-phase Reynolds-Averaged Navier-Stokes (RANS) model to capture the wall-normal flow characteristics in a less computationally expensive manner. Parameters such as mass loading, particle size, and gas velocity are varied to examine their respective impact on cluster formation and turbulence statistics. Acknowledging support from the NSF (AN:1437865).

The Reduced Basis Method in Geosciences: Practical examples for numerical forward simulations

NASA Astrophysics Data System (ADS)

Degen, D.; Veroy, K.; Wellmann, F.

2017-12-01

Due to the highly heterogeneous character of the earth's subsurface, the complex coupling of thermal, hydrological, mechanical, and chemical processes, and the limited accessibility we have to face high-dimensional problems associated with high uncertainties in geosciences. Performing the obviously necessary uncertainty quantifications with a reasonable number of parameters is often not possible due to the high-dimensional character of the problem. Therefore, we are presenting the reduced basis (RB) method, being a model order reduction (MOR) technique, that constructs low-order approximations to, for instance, the finite element (FE) space. We use the RB method to address this computationally challenging simulations because this method significantly reduces the degrees of freedom. The RB method is decomposed into an offline and online stage, allowing to make the expensive pre-computations beforehand to get real-time results during field campaigns. Generally, the RB approach is most beneficial in the many-query and real-time context.We will illustrate the advantages of the RB method for the field of geosciences through two examples of numerical forward simulations.The first example is a geothermal conduction problem demonstrating the implementation of the RB method for a steady-state case. The second examples, a Darcy flow problem, shows the benefits for transient scenarios. In both cases, a quality evaluation of the approximations is given. Additionally, the runtimes for both the FE and the RB simulations are compared. We will emphasize the advantages of this method for repetitive simulations by showing the speed-up for the RB solution in contrast to the FE solution. Finally, we will demonstrate how the used implementation is usable in high-performance computing (HPC) infrastructures and evaluate its performance for such infrastructures. Hence, we will especially point out its scalability, yielding in an optimal usage on HPC infrastructures and normal working stations.

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

Garcia, Andres

Transport and reaction in zeolites and other porous materials, such as mesoporous silica particles, has been a focus of interest in recent years. This is in part due to the possibility of anomalous transport effects (e.g. single-file diffusion) and its impact in the reaction yield in catalytic processes. Computational simulations are often used to study these complex nonequilibrium systems. Computer simulations using Molecular Dynamics (MD) techniques are prohibitive, so instead coarse grained one-dimensional models with the aid of Kinetic Monte Carlo (KMC) simulations are used. Both techniques can be computationally expensive, both time and resource wise. These coarse-grained systems canmore » be exactly described by a set of coupled stochastic master equations, that describe the reaction-diffusion kinetics of the system. The equations can be written exactly, however, coupling between the equations and terms within the equations make it impossible to solve them exactly; approximations must be made. One of the most common methods to obtain approximate solutions is to use Mean Field (MF) theory. MF treatments yield reasonable results at high ratios of reaction rate k to hop rate h of the particles, but fail completely at low k=h due to the over-estimation of fluxes of particles within the pore. We develop a method to estimate fluxes and intrapore diffusivity in simple one- dimensional reaction-diffusion models at high and low k=h, where the pores are coupled to an equilibrated three-dimensional fluid. We thus successfully describe analytically these simple reaction-diffusion one-dimensional systems. Extensions to models considering behavior with long range steric interactions and wider pores require determination of multiple boundary conditions. We give a prescription to estimate the required parameters for these simulations. For one dimensional systems, if single-file diffusion is relaxed, additional parameters to describe particle exchange have to be introduced. We use Langevin Molecular Dynamics (MD) simulations to assess these parameters.« less

Computational chemistry for NH 3 synthesis, hydrotreating, and NO x reduction: Three topics of special interest to Haldor Topsøe

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

Elnabawy, Ahmed O.; Rangarajan, Srinivas; Mavrikakis, Manos

Computational chemistry, especially density functional theory, has experienced a remarkable growth in terms of application over the last few decades. This is attributed to the improvements in theory and computing infrastructure that enable the analysis of systems of unprecedented size and detail at an affordable computational expense. In this perspective, we discuss recent progress and current challenges facing electronic structure theory in the context of heterogeneous catalysis. We specifically focus on the impact of computational chemistry in elucidating and designing catalytic systems in three topics of interest to Haldor Topsøe – ammonia, synthesis, hydrotreating, and NO x reduction. Furthermore, wemore » then discuss the common tools and concepts in computational catalysis that underline these topics and provide a perspective on the challenges and future directions of research in this area of catalysis research.« less

Fast Legendre moment computation for template matching

NASA Astrophysics Data System (ADS)

Li, Bing C.

2017-05-01

Normalized cross correlation (NCC) based template matching is insensitive to intensity changes and it has many applications in image processing, object detection, video tracking and pattern recognition. However, normalized cross correlation implementation is computationally expensive since it involves both correlation computation and normalization implementation. In this paper, we propose Legendre moment approach for fast normalized cross correlation implementation and show that the computational cost of this proposed approach is independent of template mask sizes which is significantly faster than traditional mask size dependent approaches, especially for large mask templates. Legendre polynomials have been widely used in solving Laplace equation in electrodynamics in spherical coordinate systems, and solving Schrodinger equation in quantum mechanics. In this paper, we extend Legendre polynomials from physics to computer vision and pattern recognition fields, and demonstrate that Legendre polynomials can help to reduce the computational cost of NCC based template matching significantly.

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.

Computational chemistry for NH 3 synthesis, hydrotreating, and NO x reduction: Three topics of special interest to Haldor Topsøe

DOE PAGES

Elnabawy, Ahmed O.; Rangarajan, Srinivas; Mavrikakis, Manos

2015-06-05

Computational chemistry, especially density functional theory, has experienced a remarkable growth in terms of application over the last few decades. This is attributed to the improvements in theory and computing infrastructure that enable the analysis of systems of unprecedented size and detail at an affordable computational expense. In this perspective, we discuss recent progress and current challenges facing electronic structure theory in the context of heterogeneous catalysis. We specifically focus on the impact of computational chemistry in elucidating and designing catalytic systems in three topics of interest to Haldor Topsøe – ammonia, synthesis, hydrotreating, and NO x reduction. Furthermore, wemore » then discuss the common tools and concepts in computational catalysis that underline these topics and provide a perspective on the challenges and future directions of research in this area of catalysis research.« less

Non-Boolean computing with nanomagnets for computer vision applications

NASA Astrophysics Data System (ADS)

Bhanja, Sanjukta; Karunaratne, D. K.; Panchumarthy, Ravi; Rajaram, Srinath; Sarkar, Sudeep

2016-02-01

The field of nanomagnetism has recently attracted tremendous attention as it can potentially deliver low-power, high-speed and dense non-volatile memories. It is now possible to engineer the size, shape, spacing, orientation and composition of sub-100 nm magnetic structures. This has spurred the exploration of nanomagnets for unconventional computing paradigms. Here, we harness the energy-minimization nature of nanomagnetic systems to solve the quadratic optimization problems that arise in computer vision applications, which are computationally expensive. By exploiting the magnetization states of nanomagnetic disks as state representations of a vortex and single domain, we develop a magnetic Hamiltonian and implement it in a magnetic system that can identify the salient features of a given image with more than 85% true positive rate. These results show the potential of this alternative computing method to develop a magnetic coprocessor that might solve complex problems in fewer clock cycles than traditional processors.

Exploration computer applications to primary dispersion halos: Kougarok tin prospect, Seward Peninsula, Alaska, USA

USGS Publications Warehouse

Reid, Jeffrey C.

1989-01-01

Computer processing and high resolution graphics display of geochemical data were used to quickly, accurately, and efficiently obtain important decision-making information for tin (cassiterite) exploration, Seward Peninsula, Alaska (USA). Primary geochemical dispersion patterns were determined for tin-bearing intrusive granite phases of Late Cretaceous age with exploration bedrock lithogeochemistry at the Kougarok tin prospect. Expensive diamond drilling footage was required to reach exploration objectives. Recognition of element distribution and dispersion patterns was useful in subsurface interpretation and correlation, and to aid location of other holes.

Experimental realization of an entanglement access network and secure multi-party computation

PubMed Central

Chang, X.-Y.; Deng, D.-L.; Yuan, X.-X.; Hou, P.-Y.; Huang, Y.-Y.; Duan, L.-M.

2016-01-01

To construct a quantum network with many end users, it is critical to have a cost-efficient way to distribute entanglement over different network ends. We demonstrate an entanglement access network, where the expensive resource, the entangled photon source at the telecom wavelength and the core communication channel, is shared by many end users. Using this cost-efficient entanglement access network, we report experimental demonstration of a secure multiparty computation protocol, the privacy-preserving secure sum problem, based on the network quantum cryptography. PMID:27404561

An inverse problem strategy based on forward model evaluations: Gradient-based optimization without adjoint solves

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

Aguilo Valentin, Miguel Alejandro

2016-07-01

This study presents a new nonlinear programming formulation for the solution of inverse problems. First, a general inverse problem formulation based on the compliance error functional is presented. The proposed error functional enables the computation of the Lagrange multipliers, and thus the first order derivative information, at the expense of just one model evaluation. Therefore, the calculation of the Lagrange multipliers does not require the solution of the computationally intensive adjoint problem. This leads to significant speedups for large-scale, gradient-based inverse problems.

Decision rules for unbiased inventory estimates

NASA Technical Reports Server (NTRS)

Argentiero, P. D.; Koch, D.

1979-01-01

An efficient and accurate procedure for estimating inventories from remote sensing scenes is presented. In place of the conventional and expensive full dimensional Bayes decision rule, a one-dimensional feature extraction and classification technique was employed. It is shown that this efficient decision rule can be used to develop unbiased inventory estimates and that for large sample sizes typical of satellite derived remote sensing scenes, resulting accuracies are comparable or superior to more expensive alternative procedures. Mathematical details of the procedure are provided in the body of the report and in the appendix. Results of a numerical simulation of the technique using statistics obtained from an observed LANDSAT scene are included. The simulation demonstrates the effectiveness of the technique in computing accurate inventory estimates.

Accelerating activity coefficient calculations using multicore platforms, and profiling the energy use resulting from such calculations.

NASA Astrophysics Data System (ADS)

Topping, David; Alibay, Irfan; Bane, Michael

2017-04-01

To predict the evolving concentration, chemical composition and ability of aerosol particles to act as cloud droplets, we rely on numerical modeling. Mechanistic models attempt to account for the movement of compounds between the gaseous and condensed phases at a molecular level. This 'bottom up' approach is designed to increase our fundamental understanding. However, such models rely on predicting the properties of molecules and subsequent mixtures. For partitioning between the gaseous and condensed phases this includes: saturation vapour pressures; Henrys law coefficients; activity coefficients; diffusion coefficients and reaction rates. Current gas phase chemical mechanisms predict the existence of potentially millions of individual species. Within a dynamic ensemble model, this can often be used as justification for neglecting computationally expensive process descriptions. Indeed, on whether we can quantify the true sensitivity to uncertainties in molecular properties, even at the single aerosol particle level it has been impossible to embed fully coupled representations of process level knowledge with all possible compounds, typically relying on heavily parameterised descriptions. Relying on emerging numerical frameworks, and designed for the changing landscape of high-performance computing (HPC), in this study we focus specifically on the ability to capture activity coefficients in liquid solutions using the UNIFAC method. Activity coefficients are often neglected with the largely untested hypothesis that they are simply too computationally expensive to include in dynamic frameworks. We present results demonstrating increased computational efficiency for a range of typical scenarios, including a profiling of the energy use resulting from reliance on such computations. As the landscape of HPC changes, the latter aspect is important to consider in future applications.

Reducing the Time and Cost of Testing Engines

NASA Technical Reports Server (NTRS)

2004-01-01

Producing a new aircraft engine currently costs approximately $1 billion, with 3 years of development time for a commercial engine and 10 years for a military engine. The high development time and cost make it extremely difficult to transition advanced technologies for cleaner, quieter, and more efficient new engines. To reduce this time and cost, NASA created a vision for the future where designers would use high-fidelity computer simulations early in the design process in order to resolve critical design issues before building the expensive engine hardware. To accomplish this vision, NASA's Glenn Research Center initiated a collaborative effort with the aerospace industry and academia to develop its Numerical Propulsion System Simulation (NPSS), an advanced engineering environment for the analysis and design of aerospace propulsion systems and components. Partners estimate that using NPSS has the potential to dramatically reduce the time, effort, and expense necessary to design and test jet engines by generating sophisticated computer simulations of an aerospace object or system. These simulations will permit an engineer to test various design options without having to conduct costly and time-consuming real-life tests. By accelerating and streamlining the engine system design analysis and test phases, NPSS facilitates bringing the final product to market faster. NASA's NPSS Version (V)1.X effort was a task within the Agency s Computational Aerospace Sciences project of the High Performance Computing and Communication program, which had a mission to accelerate the availability of high-performance computing hardware and software to the U.S. aerospace community for its use in design processes. The technology brings value back to NASA by improving methods of analyzing and testing space transportation components.

A Machine Learning Method for the Prediction of Receptor Activation in the Simulation of Synapses

PubMed Central

Montes, Jesus; Gomez, Elena; Merchán-Pérez, Angel; DeFelipe, Javier; Peña, Jose-Maria

2013-01-01

Chemical synaptic transmission involves the release of a neurotransmitter that diffuses in the extracellular space and interacts with specific receptors located on the postsynaptic membrane. Computer simulation approaches provide fundamental tools for exploring various aspects of the synaptic transmission under different conditions. In particular, Monte Carlo methods can track the stochastic movements of neurotransmitter molecules and their interactions with other discrete molecules, the receptors. However, these methods are computationally expensive, even when used with simplified models, preventing their use in large-scale and multi-scale simulations of complex neuronal systems that may involve large numbers of synaptic connections. We have developed a machine-learning based method that can accurately predict relevant aspects of the behavior of synapses, such as the percentage of open synaptic receptors as a function of time since the release of the neurotransmitter, with considerably lower computational cost compared with the conventional Monte Carlo alternative. The method is designed to learn patterns and general principles from a corpus of previously generated Monte Carlo simulations of synapses covering a wide range of structural and functional characteristics. These patterns are later used as a predictive model of the behavior of synapses under different conditions without the need for additional computationally expensive Monte Carlo simulations. This is performed in five stages: data sampling, fold creation, machine learning, validation and curve fitting. The resulting procedure is accurate, automatic, and it is general enough to predict synapse behavior under experimental conditions that are different to the ones it has been trained on. Since our method efficiently reproduces the results that can be obtained with Monte Carlo simulations at a considerably lower computational cost, it is suitable for the simulation of high numbers of synapses and it is therefore an excellent tool for multi-scale simulations. PMID:23894367

A virtual surgical training system that simulates cutting of soft tissue using a modified pre-computed elastic model.

PubMed

Toe, Kyaw Kyar; Huang, Weimin; Yang, Tao; Duan, Yuping; Zhou, Jiayin; Su, Yi; Teo, Soo-Kng; Kumar, Selvaraj Senthil; Lim, Calvin Chi-Wan; Chui, Chee Kong; Chang, Stephen

2015-08-01

This work presents a surgical training system that incorporates cutting operation of soft tissue simulated based on a modified pre-computed linear elastic model in the Simulation Open Framework Architecture (SOFA) environment. A precomputed linear elastic model used for the simulation of soft tissue deformation involves computing the compliance matrix a priori based on the topological information of the mesh. While this process may require a few minutes to several hours, based on the number of vertices in the mesh, it needs only to be computed once and allows real-time computation of the subsequent soft tissue deformation. However, as the compliance matrix is based on the initial topology of the mesh, it does not allow any topological changes during simulation, such as cutting or tearing of the mesh. This work proposes a way to modify the pre-computed data by correcting the topological connectivity in the compliance matrix, without re-computing the compliance matrix which is computationally expensive.

Community Cloud Computing

NASA Astrophysics Data System (ADS)

Marinos, Alexandros; Briscoe, Gerard

Cloud Computing is rising fast, with its data centres growing at an unprecedented rate. However, this has come with concerns over privacy, efficiency at the expense of resilience, and environmental sustainability, because of the dependence on Cloud vendors such as Google, Amazon and Microsoft. Our response is an alternative model for the Cloud conceptualisation, providing a paradigm for Clouds in the community, utilising networked personal computers for liberation from the centralised vendor model. Community Cloud Computing (C3) offers an alternative architecture, created by combing the Cloud with paradigms from Grid Computing, principles from Digital Ecosystems, and sustainability from Green Computing, while remaining true to the original vision of the Internet. It is more technically challenging than Cloud Computing, having to deal with distributed computing issues, including heterogeneous nodes, varying quality of service, and additional security constraints. However, these are not insurmountable challenges, and with the need to retain control over our digital lives and the potential environmental consequences, it is a challenge we must pursue.

Global computing for bioinformatics.

PubMed

Loewe, Laurence

2002-12-01

Global computing, the collaboration of idle PCs via the Internet in a SETI@home style, emerges as a new way of massive parallel multiprocessing with potentially enormous CPU power. Its relations to the broader, fast-moving field of Grid computing are discussed without attempting a review of the latter. This review (i) includes a short table of milestones in global computing history, (ii) lists opportunities global computing offers for bioinformatics, (iii) describes the structure of problems well suited for such an approach, (iv) analyses the anatomy of successful projects and (v) points to existing software frameworks. Finally, an evaluation of the various costs shows that global computing indeed has merit, if the problem to be solved is already coded appropriately and a suitable global computing framework can be found. Then, either significant amounts of computing power can be recruited from the general public, or--if employed in an enterprise-wide Intranet for security reasons--idle desktop PCs can substitute for an expensive dedicated cluster.

Accelerating epistasis analysis in human genetics with consumer graphics hardware.

PubMed

Sinnott-Armstrong, Nicholas A; Greene, Casey S; Cancare, Fabio; Moore, Jason H

2009-07-24

Human geneticists are now capable of measuring more than one million DNA sequence variations from across the human genome. The new challenge is to develop computationally feasible methods capable of analyzing these data for associations with common human disease, particularly in the context of epistasis. Epistasis describes the situation where multiple genes interact in a complex non-linear manner to determine an individual's disease risk and is thought to be ubiquitous for common diseases. Multifactor Dimensionality Reduction (MDR) is an algorithm capable of detecting epistasis. An exhaustive analysis with MDR is often computationally expensive, particularly for high order interactions. This challenge has previously been met with parallel computation and expensive hardware. The option we examine here exploits commodity hardware designed for computer graphics. In modern computers Graphics Processing Units (GPUs) have more memory bandwidth and computational capability than Central Processing Units (CPUs) and are well suited to this problem. Advances in the video game industry have led to an economy of scale creating a situation where these powerful components are readily available at very low cost. Here we implement and evaluate the performance of the MDR algorithm on GPUs. Of primary interest are the time required for an epistasis analysis and the price to performance ratio of available solutions. We found that using MDR on GPUs consistently increased performance per machine over both a feature rich Java software package and a C++ cluster implementation. The performance of a GPU workstation running a GPU implementation reduces computation time by a factor of 160 compared to an 8-core workstation running the Java implementation on CPUs. This GPU workstation performs similarly to 150 cores running an optimized C++ implementation on a Beowulf cluster. Furthermore this GPU system provides extremely cost effective performance while leaving the CPU available for other tasks. The GPU workstation containing three GPUs costs $2000 while obtaining similar performance on a Beowulf cluster requires 150 CPU cores which, including the added infrastructure and support cost of the cluster system, cost approximately $82,500. Graphics hardware based computing provides a cost effective means to perform genetic analysis of epistasis using MDR on large datasets without the infrastructure of a computing cluster.

Fast probabilistic file fingerprinting for big data

PubMed Central

2013-01-01

Background Biological data acquisition is raising new challenges, both in data analysis and handling. Not only is it proving hard to analyze the data at the rate it is generated today, but simply reading and transferring data files can be prohibitively slow due to their size. This primarily concerns logistics within and between data centers, but is also important for workstation users in the analysis phase. Common usage patterns, such as comparing and transferring files, are proving computationally expensive and are tying down shared resources. Results We present an efficient method for calculating file uniqueness for large scientific data files, that takes less computational effort than existing techniques. This method, called Probabilistic Fast File Fingerprinting (PFFF), exploits the variation present in biological data and computes file fingerprints by sampling randomly from the file instead of reading it in full. Consequently, it has a flat performance characteristic, correlated with data variation rather than file size. We demonstrate that probabilistic fingerprinting can be as reliable as existing hashing techniques, with provably negligible risk of collisions. We measure the performance of the algorithm on a number of data storage and access technologies, identifying its strengths as well as limitations. Conclusions Probabilistic fingerprinting may significantly reduce the use of computational resources when comparing very large files. Utilisation of probabilistic fingerprinting techniques can increase the speed of common file-related workflows, both in the data center and for workbench analysis. The implementation of the algorithm is available as an open-source tool named pfff, as a command-line tool as well as a C library. The tool can be downloaded from http://biit.cs.ut.ee/pfff. PMID:23445565

Fast and robust shape diameter function.

PubMed

Chen, Shuangmin; Liu, Taijun; Shu, Zhenyu; Xin, Shiqing; He, Ying; Tu, Changhe

2018-01-01

The shape diameter function (SDF) is a scalar function defined on a closed manifold surface, measuring the neighborhood diameter of the object at each point. Due to its pose oblivious property, SDF is widely used in shape analysis, segmentation and retrieval. However, computing SDF is computationally expensive since one has to place an inverted cone at each point and then average the penetration distances for a number of rays inside the cone. Furthermore, the shape diameters are highly sensitive to local geometric features as well as the normal vectors, hence diminishing their applications to real-world meshes which often contain rich geometric details and/or various types of defects, such as noise and gaps. In order to increase the robustness of SDF and promote it to a wide range of 3D models, we define SDF by offsetting the input object a little bit. This seemingly minor change brings three significant benefits: First, it allows us to compute SDF in a robust manner since the offset surface is able to give reliable normal vectors. Second, it runs many times faster since at each point we only need to compute the penetration distance along a single direction, rather than tens of directions. Third, our method does not require watertight surfaces as the input-it supports both point clouds and meshes with noise and gaps. Extensive experimental results show that the offset-surface based SDF is robust to noise and insensitive to geometric details, and it also runs about 10 times faster than the existing method. We also exhibit its usefulness using two typical applications including shape retrieval and shape segmentation, and observe a significant improvement over the existing SDF.

About Distributed Simulation-based Optimization of Forming Processes using a Grid Architecture

NASA Astrophysics Data System (ADS)

Grauer, Manfred; Barth, Thomas

2004-06-01

Permanently increasing complexity of products and their manufacturing processes combined with a shorter "time-to-market" leads to more and more use of simulation and optimization software systems for product design. Finding a "good" design of a product implies the solution of computationally expensive optimization problems based on the results of simulation. Due to the computational load caused by the solution of these problems, the requirements on the Information&Telecommunication (IT) infrastructure of an enterprise or research facility are shifting from stand-alone resources towards the integration of software and hardware resources in a distributed environment for high-performance computing. Resources can either comprise software systems, hardware systems, or communication networks. An appropriate IT-infrastructure must provide the means to integrate all these resources and enable their use even across a network to cope with requirements from geographically distributed scenarios, e.g. in computational engineering and/or collaborative engineering. Integrating expert's knowledge into the optimization process is inevitable in order to reduce the complexity caused by the number of design variables and the high dimensionality of the design space. Hence, utilization of knowledge-based systems must be supported by providing data management facilities as a basis for knowledge extraction from product data. In this paper, the focus is put on a distributed problem solving environment (PSE) capable of providing access to a variety of necessary resources and services. A distributed approach integrating simulation and optimization on a network of workstations and cluster systems is presented. For geometry generation the CAD-system CATIA is used which is coupled with the FEM-simulation system INDEED for simulation of sheet-metal forming processes and the problem solving environment OpTiX for distributed optimization.

Efficient simulation and model reformulation of two-dimensional electrochemical thermal behavior of lithium-ion batteries

DOE PAGES

Northrop, Paul W. C.; Pathak, Manan; Rife, Derek; ...

2015-03-09

Lithium-ion batteries are an important technology to facilitate efficient energy storage and enable a shift from petroleum based energy to more environmentally benign sources. Such systems can be utilized most efficiently if good understanding of performance can be achieved for a range of operating conditions. Mathematical models can be useful to predict battery behavior to allow for optimization of design and control. An analytical solution is ideally preferred to solve the equations of a mathematical model, as it eliminates the error that arises when using numerical techniques and is usually computationally cheap. An analytical solution provides insight into the behaviormore » of the system and also explicitly shows the effects of different parameters on the behavior. However, most engineering models, including the majority of battery models, cannot be solved analytically due to non-linearities in the equations and state dependent transport and kinetic parameters. The numerical method used to solve the system of equations describing a battery operation can have a significant impact on the computational cost of the simulation. In this paper, a model reformulation of the porous electrode pseudo three dimensional (P3D) which significantly reduces the computational cost of lithium ion battery simulation, while maintaining high accuracy, is discussed. This reformulation enables the use of the P3D model into applications that would otherwise be too computationally expensive to justify its use, such as online control, optimization, and parameter estimation. Furthermore, the P3D model has proven to be robust enough to allow for the inclusion of additional physical phenomena as understanding improves. In this study, the reformulated model is used to allow for more complicated physical phenomena to be considered for study, including thermal effects.« less

An automated cross-correlation based event detection technique and its application to surface passive data set

USGS Publications Warehouse

Forghani-Arani, Farnoush; Behura, Jyoti; Haines, Seth S.; Batzle, Mike

2013-01-01

In studies on heavy oil, shale reservoirs, tight gas and enhanced geothermal systems, the use of surface passive seismic data to monitor induced microseismicity due to the fluid flow in the subsurface is becoming more common. However, in most studies passive seismic records contain days and months of data and manually analysing the data can be expensive and inaccurate. Moreover, in the presence of noise, detecting the arrival of weak microseismic events becomes challenging. Hence, the use of an automated, accurate and computationally fast technique for event detection in passive seismic data is essential. The conventional automatic event identification algorithm computes a running-window energy ratio of the short-term average to the long-term average of the passive seismic data for each trace. We show that for the common case of a low signal-to-noise ratio in surface passive records, the conventional method is not sufficiently effective at event identification. Here, we extend the conventional algorithm by introducing a technique that is based on the cross-correlation of the energy ratios computed by the conventional method. With our technique we can measure the similarities amongst the computed energy ratios at different traces. Our approach is successful at improving the detectability of events with a low signal-to-noise ratio that are not detectable with the conventional algorithm. Also, our algorithm has the advantage to identify if an event is common to all stations (a regional event) or to a limited number of stations (a local event). We provide examples of applying our technique to synthetic data and a field surface passive data set recorded at a geothermal site.