Sample records for s22 benchmark set

  1. Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional.

    PubMed

    Agrawal, Piyush; Tkatchenko, Alexandre; Kronik, Leeor

    2013-08-13

    We propose a nonempirical, pair-wise or many-body dispersion-corrected, optimally tuned range-separated hybrid functional. This functional retains the advantages of the optimal-tuning approach in the prediction of the electronic structure. At the same time, it gains accuracy in the prediction of binding energies for dispersively bound systems, as demonstrated on the S22 and S66 benchmark sets of weakly bound dimers.

  2. libvdwxc: a library for exchange-correlation functionals in the vdW-DF family

    NASA Astrophysics Data System (ADS)

    Hjorth Larsen, Ask; Kuisma, Mikael; Löfgren, Joakim; Pouillon, Yann; Erhart, Paul; Hyldgaard, Per

    2017-09-01

    We present libvdwxc, a general library for evaluating the energy and potential for the family of vdW-DF exchange-correlation functionals. libvdwxc is written in C and provides an efficient implementation of the vdW-DF method and can be interfaced with various general-purpose DFT codes. Currently, the Gpaw and Octopus codes implement interfaces to libvdwxc. The present implementation emphasizes scalability and parallel performance, and thereby enables ab initio calculations of nanometer-scale complexes. The numerical accuracy is benchmarked on the S22 test set whereas parallel performance is benchmarked on ligand-protected gold nanoparticles ({{Au}}144{({{SC}}11{{NH}}25)}60) up to 9696 atoms.

  3. Evaluating interaction energies of weakly bonded systems using the Buckingham-Hirshfeld method

    NASA Astrophysics Data System (ADS)

    Krishtal, A.; Van Alsenoy, C.; Geerlings, P.

    2014-05-01

    We present the finalized Buckingham-Hirshfeld method (BHD-DFT) for the evaluation of interaction energies of non-bonded dimers with Density Functional Theory (DFT). In the method, dispersion energies are evaluated from static multipole polarizabilities, obtained on-the-fly from Coupled Perturbed Kohn-Sham calculations and partitioned into diatomic contributions using the iterative Hirshfeld partitioning method. The dispersion energy expression is distributed over four atoms and has therefore a higher delocalized character compared to the standard pairwise expressions. Additionally, full multipolar polarizability tensors are used as opposed to effective polarizabilities, allowing to retain the anisotropic character at no additional computational cost. A density dependent damping function for the BLYP, PBE, BP86, B3LYP, and PBE0 functionals has been implemented, containing two global parameters which were fitted to interaction energies and geometries of a selected number of dimers using a bi-variate RMS fit. The method is benchmarked against the S22 and S66 data sets for equilibrium geometries and the S22x5 and S66x8 data sets for interaction energies around the equilibrium geometry. Best results are achieved using the B3LYP functional with mean average deviation values of 0.30 and 0.24 kcal/mol for the S22 and S66 data sets, respectively. This situates the BHD-DFT method among the best performing dispersion inclusive DFT methods. Effect of counterpoise correction on DFT energies is discussed.

  4. Evaluating interaction energies of weakly bonded systems using the Buckingham-Hirshfeld method

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

    Krishtal, A.; Van Alsenoy, C.; Geerlings, P.

    2014-05-14

    We present the finalized Buckingham-Hirshfeld method (BHD-DFT) for the evaluation of interaction energies of non-bonded dimers with Density Functional Theory (DFT). In the method, dispersion energies are evaluated from static multipole polarizabilities, obtained on-the-fly from Coupled Perturbed Kohn-Sham calculations and partitioned into diatomic contributions using the iterative Hirshfeld partitioning method. The dispersion energy expression is distributed over four atoms and has therefore a higher delocalized character compared to the standard pairwise expressions. Additionally, full multipolar polarizability tensors are used as opposed to effective polarizabilities, allowing to retain the anisotropic character at no additional computational cost. A density dependent damping functionmore » for the BLYP, PBE, BP86, B3LYP, and PBE0 functionals has been implemented, containing two global parameters which were fitted to interaction energies and geometries of a selected number of dimers using a bi-variate RMS fit. The method is benchmarked against the S22 and S66 data sets for equilibrium geometries and the S22x5 and S66x8 data sets for interaction energies around the equilibrium geometry. Best results are achieved using the B3LYP functional with mean average deviation values of 0.30 and 0.24 kcal/mol for the S22 and S66 data sets, respectively. This situates the BHD-DFT method among the best performing dispersion inclusive DFT methods. Effect of counterpoise correction on DFT energies is discussed.« less

  5. Calculations with spectroscopic accuracy for energies, transition rates, hyperfine interaction constants, and Landé gJ-factors in nitrogen-like Kr XXX

    NASA Astrophysics Data System (ADS)

    Wang, K.; Li, S.; Jönsson, P.; Fu, N.; Dang, W.; Guo, X. L.; Chen, C. Y.; Yan, J.; Chen, Z. B.; Si, R.

    2017-01-01

    Extensive self-consistent multi-configuration Dirac-Fock (MCDF) calculations and second-order many-body perturbation theory (MBPT) calculations are performed for the lowest 272 states belonging to the 2s22p3, 2s2p4, 2p5, 2s22p23l, and 2s2p33l (l=s, p, d) configurations of N-like Kr XXX. Complete and consistent data sets of level energies, wavelengths, line strengths, oscillator strengths, lifetimes, AJ, BJ hyperfine interaction constants, Landé gJ-factors, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates among all these levels are given. The present MCDF and MBPT results are compared with each other and with other available experimental and theoretical results. The mean relative difference between our two sets of level energies is only about 0.003% for these 272 levels. The accuracy of the present calculations are high enough to facilitate identification of many observed spectral lines. These accurate data can be served as benchmark for other calculations and can be useful for fusion plasma research and astrophysical applications.

  6. Radiation Detection Computational Benchmark Scenarios

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

    Shaver, Mark W.; Casella, Andrew M.; Wittman, Richard S.

    2013-09-24

    Modeling forms an important component of radiation detection development, allowing for testing of new detector designs, evaluation of existing equipment against a wide variety of potential threat sources, and assessing operation performance of radiation detection systems. This can, however, result in large and complex scenarios which are time consuming to model. A variety of approaches to radiation transport modeling exist with complementary strengths and weaknesses for different problems. This variety of approaches, and the development of promising new tools (such as ORNL’s ADVANTG) which combine benefits of multiple approaches, illustrates the need for a means of evaluating or comparing differentmore » techniques for radiation detection problems. This report presents a set of 9 benchmark problems for comparing different types of radiation transport calculations, identifying appropriate tools for classes of problems, and testing and guiding the development of new methods. The benchmarks were drawn primarily from existing or previous calculations with a preference for scenarios which include experimental data, or otherwise have results with a high level of confidence, are non-sensitive, and represent problem sets of interest to NA-22. From a technical perspective, the benchmarks were chosen to span a range of difficulty and to include gamma transport, neutron transport, or both and represent different important physical processes and a range of sensitivity to angular or energy fidelity. Following benchmark identification, existing information about geometry, measurements, and previous calculations were assembled. Monte Carlo results (MCNP decks) were reviewed or created and re-run in order to attain accurate computational times and to verify agreement with experimental data, when present. Benchmark information was then conveyed to ORNL in order to guide testing and development of hybrid calculations. The results of those ADVANTG calculations were then sent to PNNL for compilation. This is a report describing the details of the selected Benchmarks and results from various transport codes.« less

  7. Hospital benchmarking: are U.S. eye hospitals ready?

    PubMed

    de Korne, Dirk F; van Wijngaarden, Jeroen D H; Sol, Kees J C A; Betz, Robert; Thomas, Richard C; Schein, Oliver D; Klazinga, Niek S

    2012-01-01

    Benchmarking is increasingly considered a useful management instrument to improve quality in health care, but little is known about its applicability in hospital settings. The aims of this study were to assess the applicability of a benchmarking project in U.S. eye hospitals and compare the results with an international initiative. We evaluated multiple cases by applying an evaluation frame abstracted from the literature to five U.S. eye hospitals that used a set of 10 indicators for efficiency benchmarking. Qualitative analysis entailed 46 semistructured face-to-face interviews with stakeholders, document analyses, and questionnaires. The case studies only partially met the conditions of the evaluation frame. Although learning and quality improvement were stated as overall purposes, the benchmarking initiative was at first focused on efficiency only. No ophthalmic outcomes were included, and clinicians were skeptical about their reporting relevance and disclosure. However, in contrast with earlier findings in international eye hospitals, all U.S. hospitals worked with internal indicators that were integrated in their performance management systems and supported benchmarking. Benchmarking can support performance management in individual hospitals. Having a certain number of comparable institutes provide similar services in a noncompetitive milieu seems to lay fertile ground for benchmarking. International benchmarking is useful only when these conditions are not met nationally. Although the literature focuses on static conditions for effective benchmarking, our case studies show that it is a highly iterative and learning process. The journey of benchmarking seems to be more important than the destination. Improving patient value (health outcomes per unit of cost) requires, however, an integrative perspective where clinicians and administrators closely cooperate on both quality and efficiency issues. If these worlds do not share such a relationship, the added "public" value of benchmarking in health care is questionable.

  8. A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

    NASA Astrophysics Data System (ADS)

    Kruse, Holger; Grimme, Stefan

    2012-04-01

    A semi-empirical counterpoise-type correction for basis set superposition error (BSSE) in molecular systems is presented. An atom pair-wise potential corrects for the inter- and intra-molecular BSSE in supermolecular Hartree-Fock (HF) or density functional theory (DFT) calculations. This geometrical counterpoise (gCP) denoted scheme depends only on the molecular geometry, i.e., no input from the electronic wave-function is required and hence is applicable to molecules with ten thousands of atoms. The four necessary parameters have been determined by a fit to standard Boys and Bernadi counterpoise corrections for Hobza's S66×8 set of non-covalently bound complexes (528 data points). The method's target are small basis sets (e.g., minimal, split-valence, 6-31G*), but reliable results are also obtained for larger triple-ζ sets. The intermolecular BSSE is calculated by gCP within a typical error of 10%-30% that proves sufficient in many practical applications. The approach is suggested as a quantitative correction in production work and can also be routinely applied to estimate the magnitude of the BSSE beforehand. The applicability for biomolecules as the primary target is tested for the crambin protein, where gCP removes intramolecular BSSE effectively and yields conformational energies comparable to def2-TZVP basis results. Good mutual agreement is also found with Jensen's ACP(4) scheme, estimating the intramolecular BSSE in the phenylalanine-glycine-phenylalanine tripeptide, for which also a relaxed rotational energy profile is presented. A variety of minimal and double-ζ basis sets combined with gCP and the dispersion corrections DFT-D3 and DFT-NL are successfully benchmarked on the S22 and S66 sets of non-covalent interactions. Outstanding performance with a mean absolute deviation (MAD) of 0.51 kcal/mol (0.38 kcal/mol after D3-refit) is obtained at the gCP-corrected HF-D3/(minimal basis) level for the S66 benchmark. The gCP-corrected B3LYP-D3/6-31G* model chemistry yields MAD=0.68 kcal/mol, which represents a huge improvement over plain B3LYP/6-31G* (MAD=2.3 kcal/mol). Application of gCP-corrected B97-D3 and HF-D3 on a set of large protein-ligand complexes prove the robustness of the method. Analytical gCP gradients make optimizations of large systems feasible with small basis sets, as demonstrated for the inter-ring distances of 9-helicene and most of the complexes in Hobza's S22 test set. The method is implemented in a freely available FORTRAN program obtainable from the author's website.

  9. A Benchmark and Comparative Study of Video-Based Face Recognition on COX Face Database.

    PubMed

    Huang, Zhiwu; Shan, Shiguang; Wang, Ruiping; Zhang, Haihong; Lao, Shihong; Kuerban, Alifu; Chen, Xilin

    2015-12-01

    Face recognition with still face images has been widely studied, while the research on video-based face recognition is inadequate relatively, especially in terms of benchmark datasets and comparisons. Real-world video-based face recognition applications require techniques for three distinct scenarios: 1) Videoto-Still (V2S); 2) Still-to-Video (S2V); and 3) Video-to-Video (V2V), respectively, taking video or still image as query or target. To the best of our knowledge, few datasets and evaluation protocols have benchmarked for all the three scenarios. In order to facilitate the study of this specific topic, this paper contributes a benchmarking and comparative study based on a newly collected still/video face database, named COX(1) Face DB. Specifically, we make three contributions. First, we collect and release a largescale still/video face database to simulate video surveillance with three different video-based face recognition scenarios (i.e., V2S, S2V, and V2V). Second, for benchmarking the three scenarios designed on our database, we review and experimentally compare a number of existing set-based methods. Third, we further propose a novel Point-to-Set Correlation Learning (PSCL) method, and experimentally show that it can be used as a promising baseline method for V2S/S2V face recognition on COX Face DB. Extensive experimental results clearly demonstrate that video-based face recognition needs more efforts, and our COX Face DB is a good benchmark database for evaluation.

  10. Use of the 22C3 anti-PD-L1 antibody to determine PD-L1 expression in multiple automated immunohistochemistry platforms.

    PubMed

    Ilie, Marius; Khambata-Ford, Shirin; Copie-Bergman, Christiane; Huang, Lingkang; Juco, Jonathan; Hofman, Veronique; Hofman, Paul

    2017-01-01

    For non-small cell lung cancer (NSCLC), treatment with pembrolizumab is limited to patients with tumours expressing PD-L1 assessed by immunohistochemistry (IHC) using the PD-L1 IHC 22C3 pharmDx (Dako, Inc.) companion diagnostic test, on the Dako Autostainer Link 48 (ASL48) platform. Optimised protocols are urgently needed for use of the 22C3 antibody concentrate to test PD-L1 expression on more widely available IHC autostainers. We evaluated PD-L1 expression using the 22C3 antibody concentrate in the three main commercially available autostainers Dako ASL48, BenchMark ULTRA (Ventana Medical Systems, Inc.), and Bond-III (Leica Biosystems) and compared the staining results with the PD-L1 IHC 22C3 pharmDx kit on the Dako ASL48 platform. Several technical conditions for laboratory-developed tests (LDTs) were evaluated in tonsil specimens and a training set of three NSCLC samples. Optimised protocols were then validated in 120 NSCLC specimens. Optimised protocols were obtained on both the VENTANA BenchMark ULTRA and Dako ASL48 platforms. Significant expression of PD-L1 was obtained on tissue controls with the Leica Bond-III autostainer when high concentrations of the 22C3 antibody were used. It therefore was not tested on the 120 NSCLC specimens. An almost 100% concordance rate for dichotomized tumour proportion score (TPS) results was observed between TPS ratings using the 22C3 antibody concentrate on the Dako ASL48 and VENTANA BenchMark ULTRA platforms relative to the PD-L1 IHC 22C3 pharmDx kit on the Dako ASL48 platform. Interpathologist agreement was high on both LDTs and the PD-L1 IHC 22C3 pharmDx kit on the Dako ASL48 platform. Availability of standardized protocols for determining PD-L1 expression using the 22C3 antibody concentrate on the widely available Dako ASL48 and VENTANA BenchMark ULTRA IHC platforms will expand the number of laboratories able to determine eligibility of patients with NSCLC for treatment with pembrolizumab in a reliable and concordant manner.

  11. Hydrogen bonding and pi-stacking: how reliable are force fields? A critical evaluation of force field descriptions of nonbonded interactions.

    PubMed

    Paton, Robert S; Goodman, Jonathan M

    2009-04-01

    We have evaluated the performance of a set of widely used force fields by calculating the geometries and stabilization energies for a large collection of intermolecular complexes. These complexes are representative of a range of chemical and biological systems for which hydrogen bonding, electrostatic, and van der Waals interactions play important roles. Benchmark energies are taken from the high-level ab initio values in the JSCH-2005 and S22 data sets. All of the force fields underestimate stabilization resulting from hydrogen bonding, but the energetics of electrostatic and van der Waals interactions are described more accurately. OPLSAA gave a mean unsigned error of 2 kcal mol(-1) for all 165 complexes studied, and outperforms DFT calculations employing very large basis sets for the S22 complexes. The magnitude of hydrogen bonding interactions are severely underestimated by all of the force fields tested, which contributes significantly to the overall mean error; if complexes which are predominantly bound by hydrogen bonding interactions are discounted, the mean unsigned error of OPLSAA is reduced to 1 kcal mol(-1). For added clarity, web-based interactive displays of the results have been developed which allow comparisons of force field and ab initio geometries to be performed and the structures viewed and rotated in three dimensions.

  12. Protein Models Docking Benchmark 2

    PubMed Central

    Anishchenko, Ivan; Kundrotas, Petras J.; Tuzikov, Alexander V.; Vakser, Ilya A.

    2015-01-01

    Structural characterization of protein-protein interactions is essential for our ability to understand life processes. However, only a fraction of known proteins have experimentally determined structures. Such structures provide templates for modeling of a large part of the proteome, where individual proteins can be docked by template-free or template-based techniques. Still, the sensitivity of the docking methods to the inherent inaccuracies of protein models, as opposed to the experimentally determined high-resolution structures, remains largely untested, primarily due to the absence of appropriate benchmark set(s). Structures in such a set should have pre-defined inaccuracy levels and, at the same time, resemble actual protein models in terms of structural motifs/packing. The set should also be large enough to ensure statistical reliability of the benchmarking results. We present a major update of the previously developed benchmark set of protein models. For each interactor, six models were generated with the model-to-native Cα RMSD in the 1 to 6 Å range. The models in the set were generated by a new approach, which corresponds to the actual modeling of new protein structures in the “real case scenario,” as opposed to the previous set, where a significant number of structures were model-like only. In addition, the larger number of complexes (165 vs. 63 in the previous set) increases the statistical reliability of the benchmarking. We estimated the highest accuracy of the predicted complexes (according to CAPRI criteria), which can be attained using the benchmark structures. The set is available at http://dockground.bioinformatics.ku.edu. PMID:25712716

  13. Docking and scoring with ICM: the benchmarking results and strategies for improvement

    PubMed Central

    Neves, Marco A. C.; Totrov, Maxim; Abagyan, Ruben

    2012-01-01

    Flexible docking and scoring using the Internal Coordinate Mechanics software (ICM) was benchmarked for ligand binding mode prediction against the 85 co-crystal structures in the modified Astex data set. The ICM virtual ligand screening was tested against the 40 DUD target benchmarks and 11-target WOMBAT sets. The self-docking accuracy was evaluated for the top 1 and top 3 scoring poses at each ligand binding site with near native conformations below 2 Å RMSD found in 91% and 95% of the predictions, respectively. The virtual ligand screening using single rigid pocket conformations provided the median area under the ROC curves equal to 69.4 with 22.0% true positives recovered at 2% false positive rate. Significant improvements up to ROC AUC= 82.2 and ROC(2%)= 45.2 were achieved following our best practices for flexible pocket refinement and out-of-pocket binding rescore. The virtual screening can be further improved by considering multiple conformations of the target. PMID:22569591

  14. HPC Analytics Support. Requirements for Uncertainty Quantification Benchmarks

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

    Paulson, Patrick R.; Purohit, Sumit; Rodriguez, Luke R.

    2015-05-01

    This report outlines techniques for extending benchmark generation products so they support uncertainty quantification by benchmarked systems. We describe how uncertainty quantification requirements can be presented to candidate analytical tools supporting SPARQL. We describe benchmark data sets for evaluating uncertainty quantification, as well as an approach for using our benchmark generator to produce data sets for generating benchmark data sets.

  15. Scaled MP3 non-covalent interaction energies agree closely with accurate CCSD(T) benchmark data.

    PubMed

    Pitonák, Michal; Neogrády, Pavel; Cerný, Jirí; Grimme, Stefan; Hobza, Pavel

    2009-01-12

    Scaled MP3 interaction energies calculated as a sum of MP2/CBS (complete basis set limit) interaction energies and scaled third-order energy contributions obtained in small or medium size basis sets agree very closely with the estimated CCSD(T)/CBS interaction energies for the 22 H-bonded, dispersion-controlled and mixed non-covalent complexes from the S22 data set. Performance of this so-called MP2.5 (third-order scaling factor of 0.5) method has also been tested for 33 nucleic acid base pairs and two stacked conformers of porphine dimer. In all the test cases, performance of the MP2.5 method was shown to be superior to the scaled spin-component MP2 based methods, e.g. SCS-MP2, SCSN-MP2 and SCS(MI)-MP2. In particular, a very balanced treatment of hydrogen-bonded compared to stacked complexes is achieved with MP2.5. The main advantage of the approach is that it employs only a single empirical parameter and is thus biased by two rigorously defined, asymptotically correct ab-initio methods, MP2 and MP3. The method is proposed as an accurate but computationally feasible alternative to CCSD(T) for the computation of the properties of various kinds of non-covalently bound systems.

  16. TOP500 Supercomputers for November 2003

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

    Strohmaier, Erich; Meuer, Hans W.; Dongarra, Jack

    2003-11-16

    22nd Edition of TOP500 List of World s Fastest Supercomputers Released MANNHEIM, Germany; KNOXVILLE, Tenn.; BERKELEY, Calif. In what has become a much-anticipated event in the world of high-performance computing, the 22nd edition of the TOP500 list of the worlds fastest supercomputers was released today (November 16, 2003). The Earth Simulator supercomputer retains the number one position with its Linpack benchmark performance of 35.86 Tflop/s (''teraflops'' or trillions of calculations per second). It was built by NEC and installed last year at the Earth Simulator Center in Yokohama, Japan.

  17. Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.

    PubMed

    Xia, Jie; Tilahun, Ermias Lemma; Reid, Terry-Elinor; Zhang, Liangren; Wang, Xiang Simon

    2015-01-01

    Retrospective small-scale virtual screening (VS) based on benchmarking data sets has been widely used to estimate ligand enrichments of VS approaches in the prospective (i.e. real-world) efforts. However, the intrinsic differences of benchmarking sets to the real screening chemical libraries can cause biased assessment. Herein, we summarize the history of benchmarking methods as well as data sets and highlight three main types of biases found in benchmarking sets, i.e. "analogue bias", "artificial enrichment" and "false negative". In addition, we introduce our recent algorithm to build maximum-unbiased benchmarking sets applicable to both ligand-based and structure-based VS approaches, and its implementations to three important human histone deacetylases (HDACs) isoforms, i.e. HDAC1, HDAC6 and HDAC8. The leave-one-out cross-validation (LOO CV) demonstrates that the benchmarking sets built by our algorithm are maximum-unbiased as measured by property matching, ROC curves and AUCs. Copyright © 2014 Elsevier Inc. All rights reserved.

  18. Benchmarking Methods and Data Sets for Ligand Enrichment Assessment in Virtual Screening

    PubMed Central

    Xia, Jie; Tilahun, Ermias Lemma; Reid, Terry-Elinor; Zhang, Liangren; Wang, Xiang Simon

    2014-01-01

    Retrospective small-scale virtual screening (VS) based on benchmarking data sets has been widely used to estimate ligand enrichments of VS approaches in the prospective (i.e. real-world) efforts. However, the intrinsic differences of benchmarking sets to the real screening chemical libraries can cause biased assessment. Herein, we summarize the history of benchmarking methods as well as data sets and highlight three main types of biases found in benchmarking sets, i.e. “analogue bias”, “artificial enrichment” and “false negative”. In addition, we introduced our recent algorithm to build maximum-unbiased benchmarking sets applicable to both ligand-based and structure-based VS approaches, and its implementations to three important human histone deacetylase (HDAC) isoforms, i.e. HDAC1, HDAC6 and HDAC8. The Leave-One-Out Cross-Validation (LOO CV) demonstrates that the benchmarking sets built by our algorithm are maximum-unbiased in terms of property matching, ROC curves and AUCs. PMID:25481478

  19. Benchmarking Data Sets for the Evaluation of Virtual Ligand Screening Methods: Review and Perspectives.

    PubMed

    Lagarde, Nathalie; Zagury, Jean-François; Montes, Matthieu

    2015-07-27

    Virtual screening methods are commonly used nowadays in drug discovery processes. However, to ensure their reliability, they have to be carefully evaluated. The evaluation of these methods is often realized in a retrospective way, notably by studying the enrichment of benchmarking data sets. To this purpose, numerous benchmarking data sets were developed over the years, and the resulting improvements led to the availability of high quality benchmarking data sets. However, some points still have to be considered in the selection of the active compounds, decoys, and protein structures to obtain optimal benchmarking data sets.

  20. A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes

    NASA Astrophysics Data System (ADS)

    Hajgató, B.; Szieberth, D.; Geerlings, P.; De Proft, F.; Deleuze, M. S.

    2009-12-01

    A benchmark theoretical study of the electronic ground state and of the vertical and adiabatic singlet-triplet (ST) excitation energies of benzene (n =1) and n-acenes (C4n+2H2n+4) ranging from naphthalene (n =2) to heptacene (n =7) is presented, on the ground of single- and multireference calculations based on restricted or unrestricted zero-order wave functions. High-level and large scale treatments of electronic correlation in the ground state are found to be necessary for compensating giant but unphysical symmetry-breaking effects in unrestricted single-reference treatments. The composition of multiconfigurational wave functions, the topologies of natural orbitals in symmetry-unrestricted CASSCF calculations, the T1 diagnostics of coupled cluster theory, and further energy-based criteria demonstrate that all investigated systems exhibit a A1g singlet closed-shell electronic ground state. Singlet-triplet (S0-T1) energy gaps can therefore be very accurately determined by applying the principles of a focal point analysis onto the results of a series of single-point and symmetry-restricted calculations employing correlation consistent cc-pVXZ basis sets (X=D, T, Q, 5) and single-reference methods [HF, MP2, MP3, MP4SDQ, CCSD, CCSD(T)] of improving quality. According to our best estimates, which amount to a dual extrapolation of energy differences to the level of coupled cluster theory including single, double, and perturbative estimates of connected triple excitations [CCSD(T)] in the limit of an asymptotically complete basis set (cc-pV∞Z), the S0-T1 vertical excitation energies of benzene (n =1) and n-acenes (n =2-7) amount to 100.79, 76.28, 56.97, 40.69, 31.51, 22.96, and 18.16 kcal/mol, respectively. Values of 87.02, 62.87, 46.22, 32.23, 24.19, 16.79, and 12.56 kcal/mol are correspondingly obtained at the CCSD(T)/cc-pV∞Z level for the S0-T1 adiabatic excitation energies, upon including B3LYP/cc-PVTZ corrections for zero-point vibrational energies. In line with the absence of Peierls distortions, extrapolations of results indicate a vanishingly small S0-T1 energy gap of 0 to ˜4 kcal/mol (˜0.17 eV) in the limit of an infinitely large polyacene.

  1. Fine structure transitions in Fe XIV

    NASA Astrophysics Data System (ADS)

    Nahar, Sultana N.

    2013-07-01

    Results are reported for Fe XIV energy levels and transitions obtained from the ab initio relativistic Breit-Pauli R-matrix (BPRM) method. BPRM method developed under the Iron Project is capable of calculating very large number of fine structure energy levels and corresponding transitions. However, unlike in the atomic structure calculations, where levels are identified spectroscopically based on the leading percentage contributions of configurations, BPRM is incapable of such identification of the levels and hence the transitions. The main reason for it is that the percentage contributions can not be determined exactly from the large number of channels in the R-matrix space. The present report describes an identification method that uses considerations of quantum defects of channels, contributions of channel from outer regions, Hund's rule, and angular momenta algebra for addition and completeness of fine structure components. The present calculations are carried out using a close coupling wave function expansion that included 26 core excitations from configurations 2s22p63s2, 2s22p63s3p,2s22p63p2,2s22p63s3d, and 2s22p63p3d. A total of 1002 fine structure levels with n ⩽ 10, l⩽9, and 0.5 ⩽J⩽ 9.5 with even and odd parities and the corresponding 130,520 electric dipole allowed (E1) fine structure transitions, a most complete set for astrophysical modelings of spectral analysis and opacities, is presented. Large number of new energy levels are found and identified. The energies agree very well, mostly in less than 1% with the highest being 1.9%, with the 68 observed fine structure levels. While the high lying levels may have some uncertainty, an overall accuracy of energy levels should be within 10%. BPRM transitions have been benchmarked with the existing most accurate calculated transition probabilities with very good agreement for most cases. Based on the accuracy of the method and comparisons, most of the transitions can be rated with A (⩽10%) to C (⩽30%).

  2. A new numerical benchmark of a freshwater lens

    NASA Astrophysics Data System (ADS)

    Stoeckl, L.; Walther, M.; Graf, T.

    2016-04-01

    A numerical benchmark for 2-D variable-density flow and solute transport in a freshwater lens is presented. The benchmark is based on results of laboratory experiments conducted by Stoeckl and Houben (2012) using a sand tank on the meter scale. This benchmark describes the formation and degradation of a freshwater lens over time as it can be found under real-world islands. An error analysis gave the appropriate spatial and temporal discretization of 1 mm and 8.64 s, respectively. The calibrated parameter set was obtained using the parameter estimation tool PEST. Comparing density-coupled and density-uncoupled results showed that the freshwater-saltwater interface position is strongly dependent on density differences. A benchmark that adequately represents saltwater intrusion and that includes realistic features of coastal aquifers or freshwater lenses was lacking. This new benchmark was thus developed and is demonstrated to be suitable to test variable-density groundwater models applied to saltwater intrusion investigations.

  3. Analysis of 100Mb/s Ethernet for the Whitney Commodity Computing Testbed

    NASA Technical Reports Server (NTRS)

    Fineberg, Samuel A.; Pedretti, Kevin T.; Kutler, Paul (Technical Monitor)

    1997-01-01

    We evaluate the performance of a Fast Ethernet network configured with a single large switch, a single hub, and a 4x4 2D torus topology in a testbed cluster of "commodity" Pentium Pro PCs. We also evaluated a mixed network composed of ethernet hubs and switches. An MPI collective communication benchmark, and the NAS Parallel Benchmarks version 2.2 (NPB2) show that the torus network performs best for all sizes that we were able to test (up to 16 nodes). For larger networks the ethernet switch outperforms the hub, though its performance is far less than peak. The hub/switch combination tests indicate that the NAS parallel benchmarks are relatively insensitive to hub densities of less than 7 nodes per hub.

  4. Validation of tsunami inundation model TUNA-RP using OAR-PMEL-135 benchmark problem set

    NASA Astrophysics Data System (ADS)

    Koh, H. L.; Teh, S. Y.; Tan, W. K.; Kh'ng, X. Y.

    2017-05-01

    A standard set of benchmark problems, known as OAR-PMEL-135, is developed by the US National Tsunami Hazard Mitigation Program for tsunami inundation model validation. Any tsunami inundation model must be tested for its accuracy and capability using this standard set of benchmark problems before it can be gainfully used for inundation simulation. The authors have previously developed an in-house tsunami inundation model known as TUNA-RP. This inundation model solves the two-dimensional nonlinear shallow water equations coupled with a wet-dry moving boundary algorithm. This paper presents the validation of TUNA-RP against the solutions provided in the OAR-PMEL-135 benchmark problem set. This benchmark validation testing shows that TUNA-RP can indeed perform inundation simulation with accuracy consistent with that in the tested benchmark problem set.

  5. The NAS parallel benchmarks

    NASA Technical Reports Server (NTRS)

    Bailey, David (Editor); Barton, John (Editor); Lasinski, Thomas (Editor); Simon, Horst (Editor)

    1993-01-01

    A new set of benchmarks was developed for the performance evaluation of highly parallel supercomputers. These benchmarks consist of a set of kernels, the 'Parallel Kernels,' and a simulated application benchmark. Together they mimic the computation and data movement characteristics of large scale computational fluid dynamics (CFD) applications. The principal distinguishing feature of these benchmarks is their 'pencil and paper' specification - all details of these benchmarks are specified only algorithmically. In this way many of the difficulties associated with conventional benchmarking approaches on highly parallel systems are avoided.

  6. Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

    PubMed Central

    2012-01-01

    A key metric to assess molecular docking remains ligand enrichment against challenging decoys. Whereas the directory of useful decoys (DUD) has been widely used, clear areas for optimization have emerged. Here we describe an improved benchmarking set that includes more diverse targets such as GPCRs and ion channels, totaling 102 proteins with 22886 clustered ligands drawn from ChEMBL, each with 50 property-matched decoys drawn from ZINC. To ensure chemotype diversity, we cluster each target’s ligands by their Bemis–Murcko atomic frameworks. We add net charge to the matched physicochemical properties and include only the most dissimilar decoys, by topology, from the ligands. An online automated tool (http://decoys.docking.org) generates these improved matched decoys for user-supplied ligands. We test this data set by docking all 102 targets, using the results to improve the balance between ligand desolvation and electrostatics in DOCK 3.6. The complete DUD-E benchmarking set is freely available at http://dude.docking.org. PMID:22716043

  7. Microbially Mediated Kinetic Sulfur Isotope Fractionation: Reactive Transport Modeling Benchmark

    NASA Astrophysics Data System (ADS)

    Wanner, C.; Druhan, J. L.; Cheng, Y.; Amos, R. T.; Steefel, C. I.; Ajo Franklin, J. B.

    2014-12-01

    Microbially mediated sulfate reduction is a ubiquitous process in many subsurface systems. Isotopic fractionation is characteristic of this anaerobic process, since sulfate reducing bacteria (SRB) favor the reduction of the lighter sulfate isotopologue (S32O42-) over the heavier isotopologue (S34O42-). Detection of isotopic shifts have been utilized as a proxy for the onset of sulfate reduction in subsurface systems such as oil reservoirs and aquifers undergoing uranium bioremediation. Reactive transport modeling (RTM) of kinetic sulfur isotope fractionation has been applied to field and laboratory studies. These RTM approaches employ different mathematical formulations in the representation of kinetic sulfur isotope fractionation. In order to test the various formulations, we propose a benchmark problem set for the simulation of kinetic sulfur isotope fractionation during microbially mediated sulfate reduction. The benchmark problem set is comprised of four problem levels and is based on a recent laboratory column experimental study of sulfur isotope fractionation. Pertinent processes impacting sulfur isotopic composition such as microbial sulfate reduction and dispersion are included in the problem set. To date, participating RTM codes are: CRUNCHTOPE, TOUGHREACT, MIN3P and THE GEOCHEMIST'S WORKBENCH. Preliminary results from various codes show reasonable agreement for the problem levels simulating sulfur isotope fractionation in 1D.

  8. 40 CFR 141.543 - How is the disinfection benchmark calculated?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Filtration and Disinfection-Systems Serving Fewer Than 10,000 People Disinfection Benchmark § 141.543 How is the disinfection... 40 Protection of Environment 22 2010-07-01 2010-07-01 false How is the disinfection benchmark...

  9. Quality of Source Water from Public-Supply Wells in the United States, 1993-2007

    USGS Publications Warehouse

    Toccalino, Patricia L.; Norman, Julia E.; Hitt, Kerie J.

    2010-01-01

    More than one-third of the Nation's population receives their drinking water from public water systems that use groundwater as their source. The U.S. Geological Survey (USGS) sampled untreated source water from 932 public-supply wells, hereafter referred to as public wells, as part of multiple groundwater assessments conducted across the Nation during 1993-2007. The objectives of this study were to evaluate (1) contaminant occurrence in source water from public wells and the potential significance of contaminant concentrations to human health, (2) national and regional distributions of groundwater quality, and (3) the occurrence and characteristics of contaminant mixtures. Treated finished water was not sampled. The 932 public wells are widely distributed nationally and include wells in selected parts of 41 states and withdraw water from parts of 30 regionally extensive aquifers used for public water supply. These wells are distributed among 629 unique public water systems-less than 1 percent of all groundwater-supplied public water systems in the United States-but the wells were randomly selected within the sampled hydrogeologic settings to represent typical aquifer conditions. Samples from the 629 systems represent source water used by one-quarter of the U.S. population served by groundwater-supplied public water systems, or about 9 percent of the entire U.S. population in 2008. One groundwater sample was collected prior to treatment or blending from each of the 932 public wells and analyzed for as many as six water-quality properties and 215 contaminants. Consistent with the terminology used in the Safe Drinking Water Act (SDWA), all constituents analyzed in water samples in this study are referred to as 'contaminants'. More contaminant groups were assessed in this study than in any previous national study of public wells and included major ions, nutrients, radionuclides, trace elements, pesticide compounds, volatile organic compounds (VOCs), and fecal-indicator microorganisms. Contaminant mixtures were assessed in subsets of samples in which most contaminants were analyzed. Contaminant concentrations were compared to human-health benchmarks-regulatory U.S. Environmental Protection Agency (USEPA) Maximum Contaminant Levels (MCLs) for contaminants regulated in drinking water under the SDWA or non-regulatory USGS Health-Based Screening Levels (HBSLs) for unregulated contaminants, when available. Nearly three-quarters of the contaminants assessed in this study are unregulated in drinking water, and the USEPA uses USGS data on the occurrence of unregulated contaminants in water resources to fulfill part of the SDWA requirements for determining whether specific contaminants should be regulated in drinking water in the future. More than one in five (22 percent) source-water samples from public wells contained one or more naturally occurring or man-made contaminants at concentrations greater than human-health benchmarks, and 80 percent of samples contained one or more contaminants at concentrations greater than one-tenth of benchmarks. Most individual contaminant detections, however, were less than one-tenth of human-health benchmarks. Public wells yielding water with contaminant concentrations greater than benchmarks, as well as those with concentrations greater than one-tenth of benchmarks, were distributed throughout the United States and included wells that withdraw water from all principal aquifer rock types included in this study. Ten contaminants individually were detected at concentrations greater than human-health benchmarks in at least 1 percent of source-water samples and collectively accounted for most concentrations greater than benchmarks. Seven of these 10 contaminants occur naturally, including three radionuclides (radon, radium, and gross alpha-particle radioactivity) and four trace elements (arsenic, manganese, strontium, and boron); three of these 10 contaminants (dieldrin, nitrate, and perchl

  10. Energy Behavior Change and Army Net Zero Energy; Gaps in the Army’s Approach to Changing Energy Behavior

    DTIC Science & Technology

    2014-06-13

    age, and design , installations set benchmarks for utility use and cost. This benchmark includes a buffer above and below the baseline. If residents...sustainability officers from each government agency (US President 2009, 6). The order requires that each federal agency designate a senior...conducting direct comparisons of pre and post intervention data (Judd et al. 2013, 15). Soldiers were the primary occupants of the three buildings with

  11. Development and Testing of the VITAMIN-B7/BUGLE-B7 Coupled Neutron-Gamma Multigroup Cross-Section Libraries

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

    Risner, Joel M; Wiarda, Dorothea; Miller, Thomas Martin

    2011-01-01

    The U.S. Nuclear Regulatory Commission s Regulatory Guide 1.190 states that calculational methods used to estimate reactor pressure vessel (RPV) fluence should use the latest version of the Evaluated Nuclear Data File (ENDF). The VITAMIN-B6 fine-group library and BUGLE-96 broad-group library, which are widely used for RPV fluence calculations, were generated using ENDF/B-VI data, which was the most current data when Regulatory Guide 1.190 was issued. We have developed new fine-group (VITAMIN-B7) and broad-group (BUGLE-B7) libraries based on ENDF/B-VII. These new libraries, which were processed using the AMPX code system, maintain the same group structures as the VITAMIN-B6 and BUGLE-96more » libraries. Verification and validation of the new libraries was accomplished using diagnostic checks in AMPX, unit tests for each element in VITAMIN-B7, and a diverse set of benchmark experiments including critical evaluations for fast and thermal systems, a set of experimental benchmarks that are used for SCALE regression tests, and three RPV fluence benchmarks. The benchmark evaluation results demonstrate that VITAMIN-B7 and BUGLE-B7 are appropriate for use in LWR shielding applications, and meet the calculational uncertainty criterion in Regulatory Guide 1.190.« less

  12. ‘Wasteaware’ benchmark indicators for integrated sustainable waste management in cities

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

    Wilson, David C., E-mail: waste@davidcwilson.com; Rodic, Ljiljana; Cowing, Michael J.

    Highlights: • Solid waste management (SWM) is a key utility service, but data is often lacking. • Measuring their SWM performance helps a city establish priorities for action. • The Wasteaware benchmark indicators: measure both technical and governance aspects. • Have been developed over 5 years and tested in more than 50 cities on 6 continents. • Enable consistent comparison between cities and countries and monitoring progress. - Abstract: This paper addresses a major problem in international solid waste management, which is twofold: a lack of data, and a lack of consistent data to allow comparison between cities. The papermore » presents an indicator set for integrated sustainable waste management (ISWM) in cities both North and South, to allow benchmarking of a city’s performance, comparing cities and monitoring developments over time. It builds on pioneering work for UN-Habitat’s solid waste management in the World’s cities. The comprehensive analytical framework of a city’s solid waste management system is divided into two overlapping ‘triangles’ – one comprising the three physical components, i.e. collection, recycling, and disposal, and the other comprising three governance aspects, i.e. inclusivity; financial sustainability; and sound institutions and proactive policies. The indicator set includes essential quantitative indicators as well as qualitative composite indicators. This updated and revised ‘Wasteaware’ set of ISWM benchmark indicators is the cumulative result of testing various prototypes in more than 50 cities around the world. This experience confirms the utility of indicators in allowing comprehensive performance measurement and comparison of both ‘hard’ physical components and ‘soft’ governance aspects; and in prioritising ‘next steps’ in developing a city’s solid waste management system, by identifying both local strengths that can be built on and weak points to be addressed. The Wasteaware ISWM indicators are applicable to a broad range of cities with very different levels of income and solid waste management practices. Their wide application as a standard methodology will help to fill the historical data gap.« less

  13. Overview of TPC Benchmark E: The Next Generation of OLTP Benchmarks

    NASA Astrophysics Data System (ADS)

    Hogan, Trish

    Set to replace the aging TPC-C, the TPC Benchmark E is the next generation OLTP benchmark, which more accurately models client database usage. TPC-E addresses the shortcomings of TPC-C. It has a much more complex workload, requires the use of RAID-protected storage, generates much less I/O, and is much cheaper and easier to set up, run, and audit. After a period of overlap, it is expected that TPC-E will become the de facto OLTP benchmark.

  14. An Unbiased Method To Build Benchmarking Sets for Ligand-Based Virtual Screening and its Application To GPCRs

    PubMed Central

    2015-01-01

    Benchmarking data sets have become common in recent years for the purpose of virtual screening, though the main focus had been placed on the structure-based virtual screening (SBVS) approaches. Due to the lack of crystal structures, there is great need for unbiased benchmarking sets to evaluate various ligand-based virtual screening (LBVS) methods for important drug targets such as G protein-coupled receptors (GPCRs). To date these ready-to-apply data sets for LBVS are fairly limited, and the direct usage of benchmarking sets designed for SBVS could bring the biases to the evaluation of LBVS. Herein, we propose an unbiased method to build benchmarking sets for LBVS and validate it on a multitude of GPCRs targets. To be more specific, our methods can (1) ensure chemical diversity of ligands, (2) maintain the physicochemical similarity between ligands and decoys, (3) make the decoys dissimilar in chemical topology to all ligands to avoid false negatives, and (4) maximize spatial random distribution of ligands and decoys. We evaluated the quality of our Unbiased Ligand Set (ULS) and Unbiased Decoy Set (UDS) using three common LBVS approaches, with Leave-One-Out (LOO) Cross-Validation (CV) and a metric of average AUC of the ROC curves. Our method has greatly reduced the “artificial enrichment” and “analogue bias” of a published GPCRs benchmarking set, i.e., GPCR Ligand Library (GLL)/GPCR Decoy Database (GDD). In addition, we addressed an important issue about the ratio of decoys per ligand and found that for a range of 30 to 100 it does not affect the quality of the benchmarking set, so we kept the original ratio of 39 from the GLL/GDD. PMID:24749745

  15. An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs.

    PubMed

    Xia, Jie; Jin, Hongwei; Liu, Zhenming; Zhang, Liangren; Wang, Xiang Simon

    2014-05-27

    Benchmarking data sets have become common in recent years for the purpose of virtual screening, though the main focus had been placed on the structure-based virtual screening (SBVS) approaches. Due to the lack of crystal structures, there is great need for unbiased benchmarking sets to evaluate various ligand-based virtual screening (LBVS) methods for important drug targets such as G protein-coupled receptors (GPCRs). To date these ready-to-apply data sets for LBVS are fairly limited, and the direct usage of benchmarking sets designed for SBVS could bring the biases to the evaluation of LBVS. Herein, we propose an unbiased method to build benchmarking sets for LBVS and validate it on a multitude of GPCRs targets. To be more specific, our methods can (1) ensure chemical diversity of ligands, (2) maintain the physicochemical similarity between ligands and decoys, (3) make the decoys dissimilar in chemical topology to all ligands to avoid false negatives, and (4) maximize spatial random distribution of ligands and decoys. We evaluated the quality of our Unbiased Ligand Set (ULS) and Unbiased Decoy Set (UDS) using three common LBVS approaches, with Leave-One-Out (LOO) Cross-Validation (CV) and a metric of average AUC of the ROC curves. Our method has greatly reduced the "artificial enrichment" and "analogue bias" of a published GPCRs benchmarking set, i.e., GPCR Ligand Library (GLL)/GPCR Decoy Database (GDD). In addition, we addressed an important issue about the ratio of decoys per ligand and found that for a range of 30 to 100 it does not affect the quality of the benchmarking set, so we kept the original ratio of 39 from the GLL/GDD.

  16. Evaluation and optimization of virtual screening workflows with DEKOIS 2.0--a public library of challenging docking benchmark sets.

    PubMed

    Bauer, Matthias R; Ibrahim, Tamer M; Vogel, Simon M; Boeckler, Frank M

    2013-06-24

    The application of molecular benchmarking sets helps to assess the actual performance of virtual screening (VS) workflows. To improve the efficiency of structure-based VS approaches, the selection and optimization of various parameters can be guided by benchmarking. With the DEKOIS 2.0 library, we aim to further extend and complement the collection of publicly available decoy sets. Based on BindingDB bioactivity data, we provide 81 new and structurally diverse benchmark sets for a wide variety of different target classes. To ensure a meaningful selection of ligands, we address several issues that can be found in bioactivity data. We have improved our previously introduced DEKOIS methodology with enhanced physicochemical matching, now including the consideration of molecular charges, as well as a more sophisticated elimination of latent actives in the decoy set (LADS). We evaluate the docking performance of Glide, GOLD, and AutoDock Vina with our data sets and highlight existing challenges for VS tools. All DEKOIS 2.0 benchmark sets will be made accessible at http://www.dekois.com.

  17. Analysis of 2D Torus and Hub Topologies of 100Mb/s Ethernet for the Whitney Commodity Computing Testbed

    NASA Technical Reports Server (NTRS)

    Pedretti, Kevin T.; Fineberg, Samuel A.; Kutler, Paul (Technical Monitor)

    1997-01-01

    A variety of different network technologies and topologies are currently being evaluated as part of the Whitney Project. This paper reports on the implementation and performance of a Fast Ethernet network configured in a 4x4 2D torus topology in a testbed cluster of 'commodity' Pentium Pro PCs. Several benchmarks were used for performance evaluation: an MPI point to point message passing benchmark, an MPI collective communication benchmark, and the NAS Parallel Benchmarks version 2.2 (NPB2). Our results show that for point to point communication on an unloaded network, the hub and 1 hop routes on the torus have about the same bandwidth and latency. However, the bandwidth decreases and the latency increases on the torus for each additional route hop. Collective communication benchmarks show that the torus provides roughly four times more aggregate bandwidth and eight times faster MPI barrier synchronizations than a hub based network for 16 processor systems. Finally, the SOAPBOX benchmarks, which simulate real-world CFD applications, generally demonstrated substantially better performance on the torus than on the hub. In the few cases the hub was faster, the difference was negligible. In total, our experimental results lead to the conclusion that for Fast Ethernet networks, the torus topology has better performance and scales better than a hub based network.

  18. Computational Chemistry Comparison and Benchmark Database

    National Institute of Standards and Technology Data Gateway

    SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)   The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties.

  19. Developing a benchmark for emotional analysis of music

    PubMed Central

    Yang, Yi-Hsuan; Soleymani, Mohammad

    2017-01-01

    Music emotion recognition (MER) field rapidly expanded in the last decade. Many new methods and new audio features are developed to improve the performance of MER algorithms. However, it is very difficult to compare the performance of the new methods because of the data representation diversity and scarcity of publicly available data. In this paper, we address these problems by creating a data set and a benchmark for MER. The data set that we release, a MediaEval Database for Emotional Analysis in Music (DEAM), is the largest available data set of dynamic annotations (valence and arousal annotations for 1,802 songs and song excerpts licensed under Creative Commons with 2Hz time resolution). Using DEAM, we organized the ‘Emotion in Music’ task at MediaEval Multimedia Evaluation Campaign from 2013 to 2015. The benchmark attracted, in total, 21 active teams to participate in the challenge. We analyze the results of the benchmark: the winning algorithms and feature-sets. We also describe the design of the benchmark, the evaluation procedures and the data cleaning and transformations that we suggest. The results from the benchmark suggest that the recurrent neural network based approaches combined with large feature-sets work best for dynamic MER. PMID:28282400

  20. Developing a benchmark for emotional analysis of music.

    PubMed

    Aljanaki, Anna; Yang, Yi-Hsuan; Soleymani, Mohammad

    2017-01-01

    Music emotion recognition (MER) field rapidly expanded in the last decade. Many new methods and new audio features are developed to improve the performance of MER algorithms. However, it is very difficult to compare the performance of the new methods because of the data representation diversity and scarcity of publicly available data. In this paper, we address these problems by creating a data set and a benchmark for MER. The data set that we release, a MediaEval Database for Emotional Analysis in Music (DEAM), is the largest available data set of dynamic annotations (valence and arousal annotations for 1,802 songs and song excerpts licensed under Creative Commons with 2Hz time resolution). Using DEAM, we organized the 'Emotion in Music' task at MediaEval Multimedia Evaluation Campaign from 2013 to 2015. The benchmark attracted, in total, 21 active teams to participate in the challenge. We analyze the results of the benchmark: the winning algorithms and feature-sets. We also describe the design of the benchmark, the evaluation procedures and the data cleaning and transformations that we suggest. The results from the benchmark suggest that the recurrent neural network based approaches combined with large feature-sets work best for dynamic MER.

  1. Fast Neutron Spectrum Potassium Worth for Space Power Reactor Design Validation

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

    Bess, John D.; Marshall, Margaret A.; Briggs, J. Blair

    2015-03-01

    A variety of critical experiments were constructed of enriched uranium metal (oralloy ) during the 1960s and 1970s at the Oak Ridge Critical Experiments Facility (ORCEF) in support of criticality safety operations at the Y-12 Plant. The purposes of these experiments included the evaluation of storage, casting, and handling limits for the Y-12 Plant and providing data for verification of calculation methods and cross-sections for nuclear criticality safety applications. These included solid cylinders of various diameters, annuli of various inner and outer diameters, two and three interacting cylinders of various diameters, and graphite and polyethylene reflected cylinders and annuli. Ofmore » the hundreds of delayed critical experiments, one was performed that consisted of uranium metal annuli surrounding a potassium-filled, stainless steel can. The outer diameter of the annuli was approximately 13 inches (33.02 cm) with an inner diameter of 7 inches (17.78 cm). The diameter of the stainless steel can was 7 inches (17.78 cm). The critical height of the configurations was approximately 5.6 inches (14.224 cm). The uranium annulus consisted of multiple stacked rings, each with radial thicknesses of 1 inch (2.54 cm) and varying heights. A companion measurement was performed using empty stainless steel cans; the primary purpose of these experiments was to test the fast neutron cross sections of potassium as it was a candidate for coolant in some early space power reactor designs.The experimental measurements were performed on July 11, 1963, by J. T. Mihalczo and M. S. Wyatt (Ref. 1) with additional information in its corresponding logbook. Unreflected and unmoderated experiments with the same set of highly enriched uranium metal parts were performed at the Oak Ridge Critical Experiments Facility in the 1960s and are evaluated in the International Handbook for Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook) with the identifier HEU MET FAST 051. Thin graphite reflected (2 inches or less) experiments also using the same set of highly enriched uranium metal parts are evaluated in HEU MET FAST 071. Polyethylene-reflected configurations are evaluated in HEU-MET-FAST-076. A stack of highly enriched metal discs with a thick beryllium top reflector is evaluated in HEU-MET-FAST-069, and two additional highly enriched uranium annuli with beryllium cores are evaluated in HEU-MET-FAST-059. Both detailed and simplified model specifications are provided in this evaluation. Both of these fast neutron spectra assemblies were determined to be acceptable benchmark experiments. The calculated eigenvalues for both the detailed and the simple benchmark models are within ~0.26 % of the benchmark values for Configuration 1 (calculations performed using MCNP6 with ENDF/B-VII.1 neutron cross section data), but under-calculate the benchmark values by ~7s because the uncertainty in the benchmark is very small: ~0.0004 (1s); for Configuration 2, the under-calculation is ~0.31 % and ~8s. Comparison of detailed and simple model calculations for the potassium worth measurement and potassium mass coefficient yield results approximately 70 – 80 % lower (~6s to 10s) than the benchmark values for the various nuclear data libraries utilized. Both the potassium worth and mass coefficient are also deemed to be acceptable benchmark experiment measurements.« less

  2. Benchmark problems for numerical implementations of phase field models

    DOE PAGES

    Jokisaari, A. M.; Voorhees, P. W.; Guyer, J. E.; ...

    2016-10-01

    Here, we present the first set of benchmark problems for phase field models that are being developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST). While many scientific research areas use a limited set of well-established software, the growing phase field community continues to develop a wide variety of codes and lacks benchmark problems to consistently evaluate the numerical performance of new implementations. Phase field modeling has become significantly more popular as computational power has increased and is now becoming mainstream, driving the need for benchmark problems to validate and verifymore » new implementations. We follow the example set by the micromagnetics community to develop an evolving set of benchmark problems that test the usability, computational resources, numerical capabilities and physical scope of phase field simulation codes. In this paper, we propose two benchmark problems that cover the physics of solute diffusion and growth and coarsening of a second phase via a simple spinodal decomposition model and a more complex Ostwald ripening model. We demonstrate the utility of benchmark problems by comparing the results of simulations performed with two different adaptive time stepping techniques, and we discuss the needs of future benchmark problems. The development of benchmark problems will enable the results of quantitative phase field models to be confidently incorporated into integrated computational materials science and engineering (ICME), an important goal of the Materials Genome Initiative.« less

  3. ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs

    NASA Astrophysics Data System (ADS)

    Cleves, Ann E.; Jain, Ajay N.

    2017-05-01

    We introduce the ForceGen method for 3D structure generation and conformer elaboration of drug-like small molecules. ForceGen is novel, avoiding use of distance geometry, molecular templates, or simulation-oriented stochastic sampling. The method is primarily driven by the molecular force field, implemented using an extension of MMFF94s and a partial charge estimator based on electronegativity-equalization. The force field is coupled to algorithms for direct sampling of realistic physical movements made by small molecules. Results are presented on a standard benchmark from the Cambridge Crystallographic Database of 480 drug-like small molecules, including full structure generation from SMILES strings. Reproduction of protein-bound crystallographic ligand poses is demonstrated on four carefully curated data sets: the ConfGen Set (667 ligands), the PINC cross-docking benchmark (1062 ligands), a large set of macrocyclic ligands (182 total with typical ring sizes of 12-23 atoms), and a commonly used benchmark for evaluating macrocycle conformer generation (30 ligands total). Results compare favorably to alternative methods, and performance on macrocyclic compounds approaches that observed on non-macrocycles while yielding a roughly 100-fold speed improvement over alternative MD-based methods with comparable performance.

  4. Method and system for benchmarking computers

    DOEpatents

    Gustafson, John L.

    1993-09-14

    A testing system and method for benchmarking computer systems. The system includes a store containing a scalable set of tasks to be performed to produce a solution in ever-increasing degrees of resolution as a larger number of the tasks are performed. A timing and control module allots to each computer a fixed benchmarking interval in which to perform the stored tasks. Means are provided for determining, after completion of the benchmarking interval, the degree of progress through the scalable set of tasks and for producing a benchmarking rating relating to the degree of progress for each computer.

  5. E2 and SN2 Reactions of X(-) + CH3CH2X (X = F, Cl); an ab Initio and DFT Benchmark Study.

    PubMed

    Bento, A Patrícia; Solà, Miquel; Bickelhaupt, F Matthias

    2008-06-01

    We have computed consistent benchmark potential energy surfaces (PESs) for the anti-E2, syn-E2, and SN2 pathways of X(-) + CH3CH2X with X = F and Cl. This benchmark has been used to evaluate the performance of 31 popular density functionals, covering local-density approximation, generalized gradient approximation (GGA), meta-GGA, and hybrid density-functional theory (DFT). The ab initio benchmark has been obtained by exploring the PESs using a hierarchical series of ab initio methods [up to CCSD(T)] in combination with a hierarchical series of Gaussian-type basis sets (up to aug-cc-pVQZ). Our best CCSD(T) estimates show that the overall barriers for the various pathways increase in the order anti-E2 (X = F) < SN2 (X = F) < SN2 (X = Cl) ∼ syn-E2 (X = F) < anti-E2 (X = Cl) < syn-E2 (X = Cl). Thus, anti-E2 dominates for F(-) + CH3CH2F, and SN2 dominates for Cl(-) + CH3CH2Cl, while syn-E2 is in all cases the least favorable pathway. Best overall agreement with our ab initio benchmark is obtained by representatives from each of the three categories of functionals, GGA, meta-GGA, and hybrid DFT, with mean absolute errors in, for example, central barriers of 4.3 (OPBE), 2.2 (M06-L), and 2.0 kcal/mol (M06), respectively. Importantly, the hybrid functional BHandH and the meta-GGA M06-L yield incorrect trends and qualitative features of the PESs (in particular, an erroneous preference for SN2 over the anti-E2 in the case of F(-) + CH3CH2F) even though they are among the best functionals as measured by their small mean absolute errors of 3.3 and 2.2 kcal/mol in reaction barriers. OLYP and B3LYP have somewhat higher mean absolute errors in central barriers (5.6 and 4.8 kcal/mol, respectively), but the error distribution is somewhat more uniform, and as a consequence, the correct trends are reproduced.

  6. LEGO: a novel method for gene set over-representation analysis by incorporating network-based gene weights

    PubMed Central

    Dong, Xinran; Hao, Yun; Wang, Xiao; Tian, Weidong

    2016-01-01

    Pathway or gene set over-representation analysis (ORA) has become a routine task in functional genomics studies. However, currently widely used ORA tools employ statistical methods such as Fisher’s exact test that reduce a pathway into a list of genes, ignoring the constitutive functional non-equivalent roles of genes and the complex gene-gene interactions. Here, we develop a novel method named LEGO (functional Link Enrichment of Gene Ontology or gene sets) that takes into consideration these two types of information by incorporating network-based gene weights in ORA analysis. In three benchmarks, LEGO achieves better performance than Fisher and three other network-based methods. To further evaluate LEGO’s usefulness, we compare LEGO with five gene expression-based and three pathway topology-based methods using a benchmark of 34 disease gene expression datasets compiled by a recent publication, and show that LEGO is among the top-ranked methods in terms of both sensitivity and prioritization for detecting target KEGG pathways. In addition, we develop a cluster-and-filter approach to reduce the redundancy among the enriched gene sets, making the results more interpretable to biologists. Finally, we apply LEGO to two lists of autism genes, and identify relevant gene sets to autism that could not be found by Fisher. PMID:26750448

  7. 29 CFR 1952.223 - Compliance staffing benchmarks.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION... OSHA, completed a reassessment of the levels initially established in 1980 and proposed revised compliance staffing benchmarks of 22 safety and 14 health compliance officers. After opportunity for public...

  8. 29 CFR 1952.223 - Compliance staffing benchmarks.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION... OSHA, completed a reassessment of the levels initially established in 1980 and proposed revised compliance staffing benchmarks of 22 safety and 14 health compliance officers. After opportunity for public...

  9. Benchmark fragment-based 1H, 13C, 15N and 17O chemical shift predictions in molecular crystals†

    PubMed Central

    Hartman, Joshua D.; Kudla, Ryan A.; Day, Graeme M.; Mueller, Leonard J.; Beran, Gregory J. O.

    2016-01-01

    The performance of fragment-based ab initio 1H, 13C, 15N and 17O chemical shift predictions is assessed against experimental NMR chemical shift data in four benchmark sets of molecular crystals. Employing a variety of commonly used density functionals (PBE0, B3LYP, TPSSh, OPBE, PBE, TPSS), we explore the relative performance of cluster, two-body fragment, and combined cluster/fragment models. The hybrid density functionals (PBE0, B3LYP and TPSSh) generally out-perform their generalized gradient approximation (GGA)-based counterparts. 1H, 13C, 15N, and 17O isotropic chemical shifts can be predicted with root-mean-square errors of 0.3, 1.5, 4.2, and 9.8 ppm, respectively, using a computationally inexpensive electrostatically embedded two-body PBE0 fragment model. Oxygen chemical shieldings prove particularly sensitive to local many-body effects, and using a combined cluster/fragment model instead of the simple two-body fragment model decreases the root-mean-square errors to 7.6 ppm. These fragment-based model errors compare favorably with GIPAW PBE ones of 0.4, 2.2, 5.4, and 7.2 ppm for the same 1H, 13C, 15N, and 17O test sets. Using these benchmark calculations, a set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided and their robustness assessed using statistical cross-validation. We demonstrate the utility of these approaches and the reported scaling parameters on applications to 9-tertbutyl anthracene, several histidine co-crystals, benzoic acid and the C-nitrosoarene SnCl2(CH3)2(NODMA)2. PMID:27431490

  10. Benchmark fragment-based (1)H, (13)C, (15)N and (17)O chemical shift predictions in molecular crystals.

    PubMed

    Hartman, Joshua D; Kudla, Ryan A; Day, Graeme M; Mueller, Leonard J; Beran, Gregory J O

    2016-08-21

    The performance of fragment-based ab initio(1)H, (13)C, (15)N and (17)O chemical shift predictions is assessed against experimental NMR chemical shift data in four benchmark sets of molecular crystals. Employing a variety of commonly used density functionals (PBE0, B3LYP, TPSSh, OPBE, PBE, TPSS), we explore the relative performance of cluster, two-body fragment, and combined cluster/fragment models. The hybrid density functionals (PBE0, B3LYP and TPSSh) generally out-perform their generalized gradient approximation (GGA)-based counterparts. (1)H, (13)C, (15)N, and (17)O isotropic chemical shifts can be predicted with root-mean-square errors of 0.3, 1.5, 4.2, and 9.8 ppm, respectively, using a computationally inexpensive electrostatically embedded two-body PBE0 fragment model. Oxygen chemical shieldings prove particularly sensitive to local many-body effects, and using a combined cluster/fragment model instead of the simple two-body fragment model decreases the root-mean-square errors to 7.6 ppm. These fragment-based model errors compare favorably with GIPAW PBE ones of 0.4, 2.2, 5.4, and 7.2 ppm for the same (1)H, (13)C, (15)N, and (17)O test sets. Using these benchmark calculations, a set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided and their robustness assessed using statistical cross-validation. We demonstrate the utility of these approaches and the reported scaling parameters on applications to 9-tert-butyl anthracene, several histidine co-crystals, benzoic acid and the C-nitrosoarene SnCl2(CH3)2(NODMA)2.

  11. Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families.

    PubMed

    Xia, Jie; Tilahun, Ermias Lemma; Kebede, Eyob Hailu; Reid, Terry-Elinor; Zhang, Liangren; Wang, Xiang Simon

    2015-02-23

    Histone deacetylases (HDACs) are an important class of drug targets for the treatment of cancers, neurodegenerative diseases, and other types of diseases. Virtual screening (VS) has become fairly effective approaches for drug discovery of novel and highly selective histone deacetylase inhibitors (HDACIs). To facilitate the process, we constructed maximal unbiased benchmarking data sets for HDACs (MUBD-HDACs) using our recently published methods that were originally developed for building unbiased benchmarking sets for ligand-based virtual screening (LBVS). The MUBD-HDACs cover all four classes including Class III (Sirtuins family) and 14 HDAC isoforms, composed of 631 inhibitors and 24609 unbiased decoys. Its ligand sets have been validated extensively as chemically diverse, while the decoy sets were shown to be property-matching with ligands and maximal unbiased in terms of "artificial enrichment" and "analogue bias". We also conducted comparative studies with DUD-E and DEKOIS 2.0 sets against HDAC2 and HDAC8 targets and demonstrate that our MUBD-HDACs are unique in that they can be applied unbiasedly to both LBVS and SBVS approaches. In addition, we defined a novel metric, i.e. NLBScore, to detect the "2D bias" and "LBVS favorable" effect within the benchmarking sets. In summary, MUBD-HDACs are the only comprehensive and maximal-unbiased benchmark data sets for HDACs (including Sirtuins) that are available so far. MUBD-HDACs are freely available at http://www.xswlab.org/ .

  12. Enrichment assessment of multiple virtual screening strategies for Toll-like receptor 8 agonists based on a maximal unbiased benchmarking data set.

    PubMed

    Pei, Fen; Jin, Hongwei; Zhou, Xin; Xia, Jie; Sun, Lidan; Liu, Zhenming; Zhang, Liangren

    2015-11-01

    Toll-like receptor 8 agonists, which activate adaptive immune responses by inducing robust production of T-helper 1-polarizing cytokines, are promising candidates for vaccine adjuvants. As the binding site of toll-like receptor 8 is large and highly flexible, virtual screening by individual method has inevitable limitations; thus, a comprehensive comparison of different methods may provide insights into seeking effective strategy for the discovery of novel toll-like receptor 8 agonists. In this study, the performance of knowledge-based pharmacophore, shape-based 3D screening, and combined strategies was assessed against a maximum unbiased benchmarking data set containing 13 actives and 1302 decoys specialized for toll-like receptor 8 agonists. Prior structure-activity relationship knowledge was involved in knowledge-based pharmacophore generation, and a set of antagonists was innovatively used to verify the selectivity of the selected knowledge-based pharmacophore. The benchmarking data set was generated from our recently developed 'mubd-decoymaker' protocol. The enrichment assessment demonstrated a considerable performance through our selected three-layer virtual screening strategy: knowledge-based pharmacophore (Phar1) screening, shape-based 3D similarity search (Q4_combo), and then a Gold docking screening. This virtual screening strategy could be further employed to perform large-scale database screening and to discover novel toll-like receptor 8 agonists. © 2015 John Wiley & Sons A/S.

  13. 40 CFR 141.172 - Disinfection profiling and benchmarking.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Filtration and Disinfection-Systems Serving 10,000 or More People § 141.172 Disinfection profiling and benchmarking. (a... 40 Protection of Environment 22 2010-07-01 2010-07-01 false Disinfection profiling and...

  14. 47 CFR 25.105 - Citizenship.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... limit in section 310(b)(3) of the Communications Act (47 U.S.C. 310(b)(3)) and/or the 25 percent benchmark in section 310(b)(4) of the Act (47 U.S.C. 310(b)(4)) are set forth in §§ 1.990 through 1.994 of... 47 Telecommunication 2 2013-10-01 2013-10-01 false Citizenship. 25.105 Section 25.105...

  15. 47 CFR 25.105 - Citizenship.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... limit in section 310(b)(3) of the Communications Act (47 U.S.C. 310(b)(3)) and/or the 25 percent benchmark in section 310(b)(4) of the Act (47 U.S.C. 310(b)(4)) are set forth in §§ 1.990 through 1.994 of... 47 Telecommunication 2 2014-10-01 2014-10-01 false Citizenship. 25.105 Section 25.105...

  16. Benchmarking the performance of fixed-image receptor digital radiography systems. Part 2: system performance metric.

    PubMed

    Lee, Kam L; Bernardo, Michael; Ireland, Timothy A

    2016-06-01

    This is part two of a two-part study in benchmarking system performance of fixed digital radiographic systems. The study compares the system performance of seven fixed digital radiography systems based on quantitative metrics like modulation transfer function (sMTF), normalised noise power spectrum (sNNPS), detective quantum efficiency (sDQE) and entrance surface air kerma (ESAK). It was found that the most efficient image receptors (greatest sDQE) were not necessarily operating at the lowest ESAK. In part one of this study, sMTF is shown to depend on system configuration while sNNPS is shown to be relatively consistent across systems. Systems are ranked on their signal-to-noise ratio efficiency (sDQE) and their ESAK. Systems using the same equipment configuration do not necessarily have the same system performance. This implies radiographic practice at the site will have an impact on the overall system performance. In general, systems are more dose efficient at low dose settings.

  17. Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis.

    PubMed

    Xia, Jie; Reid, Terry-Elinor; Wu, Song; Zhang, Liangren; Wang, Xiang Simon

    2018-05-29

    Chemokine receptors (CRs) have long been druggable targets for the treatment of inflammatory diseases and HIV-1 infection. As a powerful technique, virtual screening (VS) has been widely applied to identifying small molecule leads for modern drug targets including CRs. For rational selection of a wide variety of VS approaches, ligand enrichment assessment based on a benchmarking data set has become an indispensable practice. However, the lack of versatile benchmarking sets for the whole CRs family that are able to unbiasedly evaluate every single approach including both structure- and ligand-based VS somewhat hinders modern drug discovery efforts. To address this issue, we constructed Maximal Unbiased Benchmarking Data sets for human Chemokine Receptors (MUBD-hCRs) using our recently developed tools of MUBD-DecoyMaker. The MUBD-hCRs encompasses 13 subtypes out of 20 chemokine receptors, composed of 404 ligands and 15756 decoys so far and is readily expandable in the future. It had been thoroughly validated that MUBD-hCRs ligands are chemically diverse while its decoys are maximal unbiased in terms of "artificial enrichment", "analogue bias". In addition, we studied the performance of MUBD-hCRs, in particular CXCR4 and CCR5 data sets, in ligand enrichment assessments of both structure- and ligand-based VS approaches in comparison with other benchmarking data sets available in the public domain and demonstrated that MUBD-hCRs is very capable of designating the optimal VS approach. MUBD-hCRs is a unique and maximal unbiased benchmarking set that covers major CRs subtypes so far.

  18. Machine characterization and benchmark performance prediction

    NASA Technical Reports Server (NTRS)

    Saavedra-Barrera, Rafael H.

    1988-01-01

    From runs of standard benchmarks or benchmark suites, it is not possible to characterize the machine nor to predict the run time of other benchmarks which have not been run. A new approach to benchmarking and machine characterization is reported. The creation and use of a machine analyzer is described, which measures the performance of a given machine on FORTRAN source language constructs. The machine analyzer yields a set of parameters which characterize the machine and spotlight its strong and weak points. Also described is a program analyzer, which analyzes FORTRAN programs and determines the frequency of execution of each of the same set of source language operations. It is then shown that by combining a machine characterization and a program characterization, we are able to predict with good accuracy the run time of a given benchmark on a given machine. Characterizations are provided for the Cray-X-MP/48, Cyber 205, IBM 3090/200, Amdahl 5840, Convex C-1, VAX 8600, VAX 11/785, VAX 11/780, SUN 3/50, and IBM RT-PC/125, and for the following benchmark programs or suites: Los Alamos (BMK8A1), Baskett, Linpack, Livermore Loops, Madelbrot Set, NAS Kernels, Shell Sort, Smith, Whetstone and Sieve of Erathostenes.

  19. A Nonlinear Fuel Optimal Reaction Jet Control Law

    DTIC Science & Technology

    2002-07-29

    derive a nonlinear fuel optimal attitude control system (ACS) that drives the final state to the desired state according to a cost function that...αroll = 0.22 rad/s2 and αyaw = 0.20 rad/s2. [ ] ( )( )ωωτω rrr&r r&r ⋅×−⋅= ⋅Ω−= − 2 1 1 II QQ (9) where, Q r is the attitude quaternion ...from Table-1 regarding the relative performance of the nonlinear controller with a conventional PID controller ( used in this paper as a benchmark for

  20. CrossTalk: The Journal of Defense Software Engineering. Volume 20, Number 2

    DTIC Science & Technology

    2007-02-01

    article is to show that when an organization is already doing competent project management, the effort to benchmark that capability by using CMMI is...process-improvement evolution. by Watts S . Humphrey, Dr. Michael D. Konrad, James W. Over, and William C. Peterson The ImprovAbility Model This model helps...17 23 29 3 12 16 22 30 31 D ep ar t m e n t s From the Sponsor Call For Articles Ad More Online From CrossTalk Coming Events SSTC 2007 BackTalk CMMI

  1. How Benchmarking and Higher Education Came Together

    ERIC Educational Resources Information Center

    Levy, Gary D.; Ronco, Sharron L.

    2012-01-01

    This chapter introduces the concept of benchmarking and how higher education institutions began to use benchmarking for a variety of purposes. Here, benchmarking is defined as a strategic and structured approach whereby an organization compares aspects of its processes and/or outcomes to those of another organization or set of organizations to…

  2. Numerical Solution of Optimal Control Problem under SPDE Constraints

    DTIC Science & Technology

    2011-10-14

    Faure and Sobol sequences are used to evaluate high dimensional integrals, and the errors in the numerical results for over 30 dimensions become quite...sequence; right: 1000 points of dimension 26 and 27 projection for optimal Kronecker sequence. benchmark Faure and Sobol methods. 2.2 High order...J. Goodman and J. O’Rourke, Handbook of discrete and computational geome- try, CRC Press, Inc., (2004). [5] S. Joe and F. Kuo, Constructing Sobol

  3. SP2Bench: A SPARQL Performance Benchmark

    NASA Astrophysics Data System (ADS)

    Schmidt, Michael; Hornung, Thomas; Meier, Michael; Pinkel, Christoph; Lausen, Georg

    A meaningful analysis and comparison of both existing storage schemes for RDF data and evaluation approaches for SPARQL queries necessitates a comprehensive and universal benchmark platform. We present SP2Bench, a publicly available, language-specific performance benchmark for the SPARQL query language. SP2Bench is settled in the DBLP scenario and comprises a data generator for creating arbitrarily large DBLP-like documents and a set of carefully designed benchmark queries. The generated documents mirror vital key characteristics and social-world distributions encountered in the original DBLP data set, while the queries implement meaningful requests on top of this data, covering a variety of SPARQL operator constellations and RDF access patterns. In this chapter, we discuss requirements and desiderata for SPARQL benchmarks and present the SP2Bench framework, including its data generator, benchmark queries and performance metrics.

  4. Benchmarks for Evaluation of Distributed Denial of Service (DDOS)

    DTIC Science & Technology

    2008-01-01

    publications: [1] E. Arikan , Attack Profiling for DDoS Benchmarks, MS Thesis, University of Delaware, August 2006. [2] J. Mirkovic, A. Hussain, B. Wilson...Sigmetrics 2007, June 2007 [5] J. Mirkovic, E. Arikan , S. Wei, S. Fahmy, R. Thomas, and P. Reiher Benchmarks for DDoS Defense Evaluation, Proceedings of the...Security Experimentation, June 2006. [9] J. Mirkovic, E. Arikan , S. Wei, S. Fahmy, R. Thomas, P. Reiher, Benchmarks for DDoS Defense Evaluation

  5. Comparative Modeling and Benchmarking Data Sets for Human Histone Deacetylases and Sirtuin Families

    PubMed Central

    Xia, Jie; Tilahun, Ermias Lemma; Kebede, Eyob Hailu; Reid, Terry-Elinor; Zhang, Liangren; Wang, Xiang Simon

    2015-01-01

    Histone Deacetylases (HDACs) are an important class of drug targets for the treatment of cancers, neurodegenerative diseases and other types of diseases. Virtual screening (VS) has become fairly effective approaches for drug discovery of novel and highly selective Histone Deacetylases Inhibitors (HDACIs). To facilitate the process, we constructed the Maximal Unbiased Benchmarking Data Sets for HDACs (MUBD-HDACs) using our recently published methods that were originally developed for building unbiased benchmarking sets for ligand-based virtual screening (LBVS). The MUBD-HDACs covers all 4 Classes including Class III (Sirtuins family) and 14 HDACs isoforms, composed of 631 inhibitors and 24,609 unbiased decoys. Its ligand sets have been validated extensively as chemically diverse, while the decoy sets were shown to be property-matching with ligands and maximal unbiased in terms of “artificial enrichment” and “analogue bias”. We also conducted comparative studies with DUD-E and DEKOIS 2.0 sets against HDAC2 and HDAC8 targets, and demonstrate that our MUBD-HDACs is unique in that it can be applied unbiasedly to both LBVS and SBVS approaches. In addition, we defined a novel metric, i.e. NLBScore, to detect the “2D bias” and “LBVS favorable” effect within the benchmarking sets. In summary, MUBD-HDACs is the only comprehensive and maximal-unbiased benchmark data sets for HDACs (including Sirtuins) that is available so far. MUBD-HDACs is freely available at http://www.xswlab.org/. PMID:25633490

  6. Multipole moments in the effective fragment potential method

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

    Bertoni, Colleen; Slipchenko, Lyudmila V.; Misquitta, Alston J.

    In the effective fragment potential (EFP) method the Coulomb potential is represented using a set of multipole moments generated by the distributed multipole analysis (DMA) method. Misquitta, Stone, and Fazeli recently developed a basis space-iterated stockholder atom (BS-ISA) method to generate multipole moments. This study assesses the accuracy of the EFP interaction energies using sets of multipole moments generated from the BS-ISA method, and from several versions of the DMA method (such as analytic and numeric grid-based), with varying basis sets. Both methods lead to reasonable results, although using certain implementations of the DMA method can result in large errors.more » With respect to the CCSD(T)/CBS interaction energies, the mean unsigned error (MUE) of the EFP method for the S22 data set using BS-ISA–generated multipole moments and DMA-generated multipole moments (using a small basis set and the analytic DMA procedure) is 0.78 and 0.72 kcal/mol, respectively. Here, the MUE accuracy is on the same order as MP2 and SCS-MP2. The MUEs are lower than in a previous study benchmarking the EFP method without the EFP charge transfer term, demonstrating that the charge transfer term increases the accuracy of the EFP method. Regardless of the multipole moment method used, it is likely that much of the error is due to an insufficient short-range electrostatic term (i.e., charge penetration term), as shown by comparisons with symmetry-adapted perturbation theory.« less

  7. Multipole moments in the effective fragment potential method

    DOE PAGES

    Bertoni, Colleen; Slipchenko, Lyudmila V.; Misquitta, Alston J.; ...

    2017-02-17

    In the effective fragment potential (EFP) method the Coulomb potential is represented using a set of multipole moments generated by the distributed multipole analysis (DMA) method. Misquitta, Stone, and Fazeli recently developed a basis space-iterated stockholder atom (BS-ISA) method to generate multipole moments. This study assesses the accuracy of the EFP interaction energies using sets of multipole moments generated from the BS-ISA method, and from several versions of the DMA method (such as analytic and numeric grid-based), with varying basis sets. Both methods lead to reasonable results, although using certain implementations of the DMA method can result in large errors.more » With respect to the CCSD(T)/CBS interaction energies, the mean unsigned error (MUE) of the EFP method for the S22 data set using BS-ISA–generated multipole moments and DMA-generated multipole moments (using a small basis set and the analytic DMA procedure) is 0.78 and 0.72 kcal/mol, respectively. Here, the MUE accuracy is on the same order as MP2 and SCS-MP2. The MUEs are lower than in a previous study benchmarking the EFP method without the EFP charge transfer term, demonstrating that the charge transfer term increases the accuracy of the EFP method. Regardless of the multipole moment method used, it is likely that much of the error is due to an insufficient short-range electrostatic term (i.e., charge penetration term), as shown by comparisons with symmetry-adapted perturbation theory.« less

  8. NETWORK DESIGN FACTORS FOR ASSESSING TEMPORAL VARIABILITY IN GROUND-WATER QUALITY

    EPA Science Inventory

    A 1.5 year benchmark data Set was collected at biweekly frequency from two siteS in shallow sand and gravel deposits in West Central Illinois. ne site was near a hog-processing facility and the other represented uncontaminated conditions. onsistent sampling and analytical protoco...

  9. What has changed in the evidence for early experience? Update of a BEME systematic review.

    PubMed

    Yardley, Sarah; Littlewood, Sonia; Margolis, Stephen A; Scherpbier, Albert; Spencer, John; Ypinazar, Valmae; Dornan, Tim

    2010-01-01

    We previously reviewed evidence published from 1992 to 2001 concerning early experience for healthcare undergraduates (Dornan T, Littlewood S, Margolis S, Scherpbier A, Spencer J, Ypinazar V. 2006. How can experience in clinical and community settings contribute to early medical education? A BEME systematic review. Med Teach 28:3-18). This subsequent study reviews evidence published from 2002 to 2008. Identify changes in the evidence base; determine the value of re-reviewing; set a future research agenda. The same search strategy as in the original review was repeated. Newly identified publications were critically appraised against the same benchmarks of strength and educational importance. Twenty-four new empirical studies of early authentic experience in education of health professionals met our inclusion criteria, yielding 96 outcomes. Sixty five outcomes (from 22 studies) were both educationally important and based on strong evidence. A new significant theme was found: the use of early experience to help students understand and align themselves with patient and community perspectives on illness and healthcare. More publications were now from outside Europe and North America. In addition to supporting the findings of our original review, this update shows an expansion in research sources, and a shift in research content focus. There are still questions, however, about how early authentic experience leads to particular learning outcomes and what will make it most educationally effective.

  10. Benchmark CCSD(T) and DFT study of binding energies in Be7 - 12: in search of reliable DFT functional for beryllium clusters

    NASA Astrophysics Data System (ADS)

    Labanc, Daniel; Šulka, Martin; Pitoňák, Michal; Černušák, Ivan; Urban, Miroslav; Neogrády, Pavel

    2018-05-01

    We present a computational study of the stability of small homonuclear beryllium clusters Be7 - 12 in singlet electronic states. Our predictions are based on highly correlated CCSD(T) coupled cluster calculations. Basis set convergence towards the complete basis set limit as well as the role of the 1s core electron correlation are carefully examined. Our CCSD(T) data for binding energies of Be7 - 12 clusters serve as a benchmark for performance assessment of several density functional theory (DFT) methods frequently used in beryllium cluster chemistry. We observe that, from Be10 clusters on, the deviation from CCSD(T) benchmarks is stable with respect to size, and fluctuating within 0.02 eV error bar for most examined functionals. This opens up the possibility of scaling the DFT binding energies for large Be clusters using CCSD(T) benchmark values for smaller clusters. We also tried to find analogies between the performance of DFT functionals for Be clusters and for the valence-isoelectronic Mg clusters investigated recently in Truhlar's group. We conclude that it is difficult to find DFT functionals that perform reasonably well for both beryllium and magnesium clusters. Out of 12 functionals examined, only the M06-2X functional gives reasonably accurate and balanced binding energies for both Be and Mg clusters.

  11. Development and testing of the VITAMIN-B7/BUGLE-B7 coupled neutron-gamma multigroup cross-section libraries

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

    Risner, J.M.; Wiarda, D.; Miller, T.M.

    2011-07-01

    The U.S. Nuclear Regulatory Commission's Regulatory Guide 1.190 states that calculational methods used to estimate reactor pressure vessel (RPV) fluence should use the latest version of the evaluated nuclear data file (ENDF). The VITAMIN-B6 fine-group library and BUGLE-96 broad-group library, which are widely used for RPV fluence calculations, were generated using ENDF/B-VI.3 data, which was the most current data when Regulatory Guide 1.190 was issued. We have developed new fine-group (VITAMIN-B7) and broad-group (BUGLE-B7) libraries based on ENDF/B-VII.0. These new libraries, which were processed using the AMPX code system, maintain the same group structures as the VITAMIN-B6 and BUGLE-96 libraries.more » Verification and validation of the new libraries were accomplished using diagnostic checks in AMPX, 'unit tests' for each element in VITAMIN-B7, and a diverse set of benchmark experiments including critical evaluations for fast and thermal systems, a set of experimental benchmarks that are used for SCALE regression tests, and three RPV fluence benchmarks. The benchmark evaluation results demonstrate that VITAMIN-B7 and BUGLE-B7 are appropriate for use in RPV fluence calculations and meet the calculational uncertainty criterion in Regulatory Guide 1.190. (authors)« less

  12. The NAS parallel benchmarks

    NASA Technical Reports Server (NTRS)

    Bailey, D. H.; Barszcz, E.; Barton, J. T.; Carter, R. L.; Lasinski, T. A.; Browning, D. S.; Dagum, L.; Fatoohi, R. A.; Frederickson, P. O.; Schreiber, R. S.

    1991-01-01

    A new set of benchmarks has been developed for the performance evaluation of highly parallel supercomputers in the framework of the NASA Ames Numerical Aerodynamic Simulation (NAS) Program. These consist of five 'parallel kernel' benchmarks and three 'simulated application' benchmarks. Together they mimic the computation and data movement characteristics of large-scale computational fluid dynamics applications. The principal distinguishing feature of these benchmarks is their 'pencil and paper' specification-all details of these benchmarks are specified only algorithmically. In this way many of the difficulties associated with conventional benchmarking approaches on highly parallel systems are avoided.

  13. 40 CFR 141.540 - Who has to develop a disinfection benchmark?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Filtration and Disinfection-Systems Serving Fewer Than 10,000 People Disinfection Benchmark § 141.540 Who has to develop a... 40 Protection of Environment 22 2010-07-01 2010-07-01 false Who has to develop a disinfection...

  14. Applying Quantum Monte Carlo to the Electronic Structure Problem

    NASA Astrophysics Data System (ADS)

    Powell, Andrew D.; Dawes, Richard

    2016-06-01

    Two distinct types of Quantum Monte Carlo (QMC) calculations are applied to electronic structure problems such as calculating potential energy curves and producing benchmark values for reaction barriers. First, Variational and Diffusion Monte Carlo (VMC and DMC) methods using a trial wavefunction subject to the fixed node approximation were tested using the CASINO code.[1] Next, Full Configuration Interaction Quantum Monte Carlo (FCIQMC), along with its initiator extension (i-FCIQMC) were tested using the NECI code.[2] FCIQMC seeks the FCI energy for a specific basis set. At a reduced cost, the efficient i-FCIQMC method can be applied to systems in which the standard FCIQMC approach proves to be too costly. Since all of these methods are statistical approaches, uncertainties (error-bars) are introduced for each calculated energy. This study tests the performance of the methods relative to traditional quantum chemistry for some benchmark systems. References: [1] R. J. Needs et al., J. Phys.: Condensed Matter 22, 023201 (2010). [2] G. H. Booth et al., J. Chem. Phys. 131, 054106 (2009).

  15. The Concepts "Benchmarks and Benchmarking" Used in Education Planning: Teacher Education as Example

    ERIC Educational Resources Information Center

    Steyn, H. J.

    2015-01-01

    Planning in education is a structured activity that includes several phases and steps that take into account several kinds of information (Steyn, Steyn, De Waal & Wolhuter, 2002: 146). One of the sets of information that are usually considered is the (so-called) "benchmarks" and "benchmarking" regarding the focus of a…

  16. HS06 Benchmark for an ARM Server

    NASA Astrophysics Data System (ADS)

    Kluth, Stefan

    2014-06-01

    We benchmarked an ARM cortex-A9 based server system with a four-core CPU running at 1.1 GHz. The system used Ubuntu 12.04 as operating system and the HEPSPEC 2006 (HS06) benchmarking suite was compiled natively with gcc-4.4 on the system. The benchmark was run for various settings of the relevant gcc compiler options. We did not find significant influence from the compiler options on the benchmark result. The final HS06 benchmark result is 10.4.

  17. Robust fuzzy output feedback controller for affine nonlinear systems via T-S fuzzy bilinear model: CSTR benchmark.

    PubMed

    Hamdy, M; Hamdan, I

    2015-07-01

    In this paper, a robust H∞ fuzzy output feedback controller is designed for a class of affine nonlinear systems with disturbance via Takagi-Sugeno (T-S) fuzzy bilinear model. The parallel distributed compensation (PDC) technique is utilized to design a fuzzy controller. The stability conditions of the overall closed loop T-S fuzzy bilinear model are formulated in terms of Lyapunov function via linear matrix inequality (LMI). The control law is robustified by H∞ sense to attenuate external disturbance. Moreover, the desired controller gains can be obtained by solving a set of LMI. A continuous stirred tank reactor (CSTR), which is a benchmark problem in nonlinear process control, is discussed in detail to verify the effectiveness of the proposed approach with a comparative study. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

  18. 15 CFR 806.16 - Rules and regulations for BE-10, Benchmark Survey of U.S. Direct Investment Abroad-2004.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ..., Benchmark Survey of U.S. Direct Investment Abroad-2004. 806.16 Section 806.16 Commerce and Foreign Trade... COMMERCE DIRECT INVESTMENT SURVEYS § 806.16 Rules and regulations for BE-10, Benchmark Survey of U.S. Direct Investment Abroad—2004. A BE-10, Benchmark Survey of U.S. Direct Investment Abroad will be...

  19. 75 FR 51982 - Fisheries of the Gulf of Mexico; Southeast Data, Assessment, and Review (SEDAR) Update; Greater...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-08-24

    ... evaluates potential datasets and recommends which datasets are appropriate for assessment analyses. The... points to datasets incorporated in the original SEDAR benchmark assessment and run the benchmark... Webinar II November 22, 2010; 10 a.m. - 1 p.m.; SEDAR Update Assessment Webinar III Using updated datasets...

  20. Workskills and National Competitiveness: External Benchmarks. Report No. 2: Benchmarking Australian Qualification Profiles.

    ERIC Educational Resources Information Center

    Cullen, R. B.

    Although education and training should be a source of relative advantage for Australia, the competitive benefits expected from the nation's "clever country" strategy have been slow to emerge. When 22 countries including Australia, Germany, Singapore, the United Kingdom, United States, and New Zealand were compared from the standpoint of…

  1. South Africa?s Increased Matriculation Passes: What Skunks behind the Rose?

    ERIC Educational Resources Information Center

    Monyooe, Lebusa; Tjatji, Martin; Mosese, Eulenda

    2014-01-01

    This article argues that the exponential increases in the Grade 12 (Matriculation) passes post 1994 do not necessarily translate to quality because of the low performance norms and standards set for passing Grade 12. It further calls for a serious reflection and interrogation of existing policies on performance, benchmarks, teacher education…

  2. Benchmarking Jiangsu University to Improve Its Academic Ranking

    ERIC Educational Resources Information Center

    Li, Xinchao; Thige, Joseph Muiruri

    2017-01-01

    This paper collates research on global ranking through U.S.News.com in relation to Jiangsu University's nonappearance in global ranking of higher education institutions. The author critiques the Academic set up of the University in comparison with universities Ranked as World Class. The author navigates the study largely through descriptive and…

  3. Coreference Resolution With Reconcile

    DTIC Science & Technology

    2010-07-01

    evaluation of coreference re- solvers across a variety of benchmark data sets and standard scoring metrics. We describe Reconcile and present experimental... scores vary wildly across data sets, evaluation metrics, and system configurations. We believe that one root cause of these dispar- ities is the high...resolution and empirical evaluation of coreference resolvers across a variety of benchmark data sets and standard scoring metrics. We describe Reconcile

  4. Advance Appropriations for Veteran’s Health Care: Issues and Options for Congress

    DTIC Science & Technology

    2009-04-28

    care system. Utilization Projection Model (UPM) The UPM is based on the Milliman Health Cost Guidelines ( HCGs ), a proprietary set of utilization-rate...benchmarks derived from commercial data.31 The HCGs contain data on utilization for 37 of the 58 EHCPM health service categories. Milliman applies a...complex set of adjustments to the HCG data to reflect the health status of VA enrollees, their reliance on VA, and the relative efficiency of VA

  5. Issues to consider in the derivation of water quality benchmarks for the protection of aquatic life.

    PubMed

    Schneider, Uwe

    2014-01-01

    While water quality benchmarks for the protection of aquatic life have been in use in some jurisdictions for several decades (USA, Canada, several European countries), more and more countries are now setting up their own national water quality benchmark development programs. In doing so, they either adopt an existing method from another jurisdiction, update on an existing approach, or develop their own new derivation method. Each approach has its own advantages and disadvantages, and many issues have to be addressed when setting up a water quality benchmark development program or when deriving a water quality benchmark. Each of these tasks requires a special expertise. They may seem simple, but are complex in their details. The intention of this paper was to provide some guidance for this process of water quality benchmark development on the program level, for the derivation methodology development, and in the actual benchmark derivation step, as well as to point out some issues (notably the inclusion of adapted populations and cryptic species and points to consider in the use of the species sensitivity distribution approach) and future opportunities (an international data repository and international collaboration in water quality benchmark development).

  6. Joint Research Centre Copernicus Climate Change Service (C3S) Fitness-for-Purpose (F4P) Platform

    NASA Astrophysics Data System (ADS)

    Gobron, N.; Adams, J. S.; Cappucci, F.; Lanconelli, C.; Mota, B.; Melin, F.

    2016-08-01

    This paper presents the concept and first results of the Copernicus Climate Change Service Fitness-for-Purpose (C3S F4P) project. The main goal aims at evaluating the efficiency and overall performance of the service, mainly with regard to users information needs and high level requirements. This project will also assess the fitness- for-purpose of the C3S with a specific emphasis on the needs of European Union (EU) Policies and translate these recommendations into programmatic and technical requirements. The C3S Climate Data Records (CDS) include various Essential Climate Variables (ECVs) that are derived from space sensors, including from Copernicus Sentinels sensors. One module of the F4P platform focuses on the benchmarking of data sets and algorithms, in addition to radiative transfer models used towards understanding potential discrepancies between CDS records. Methods and preliminary results of the benchmark platform are presented in this contribution.

  7. Benchmarking the Bethe–Salpeter Formalism on a Standard Organic Molecular Set

    PubMed Central

    2015-01-01

    We perform benchmark calculations of the Bethe–Salpeter vertical excitation energies for the set of 28 molecules constituting the well-known Thiel’s set, complemented by a series of small molecules representative of the dye chemistry field. We show that Bethe–Salpeter calculations based on a molecular orbital energy spectrum obtained with non-self-consistent G0W0 calculations starting from semilocal DFT functionals dramatically underestimate the transition energies. Starting from the popular PBE0 hybrid functional significantly improves the results even though this leads to an average −0.59 eV redshift compared to reference calculations for Thiel’s set. It is shown, however, that a simple self-consistent scheme at the GW level, with an update of the quasiparticle energies, not only leads to a much better agreement with reference values, but also significantly reduces the impact of the starting DFT functional. On average, the Bethe–Salpeter scheme based on self-consistent GW calculations comes close to the best time-dependent DFT calculations with the PBE0 functional with a 0.98 correlation coefficient and a 0.18 (0.25) eV mean absolute deviation compared to TD-PBE0 (theoretical best estimates) with a tendency to be red-shifted. We also observe that TD-DFT and the standard adiabatic Bethe–Salpeter implementation may differ significantly for states implying a large multiple excitation character. PMID:26207104

  8. Quantum Stark broadening of Ar XV lines. Strong collision and quadrupolar potential contributions

    NASA Astrophysics Data System (ADS)

    Elabidi, H.; Sahal-Bréchot, S.; Dimitrijević, M. S.

    2014-10-01

    We present in this paper electron impact broadening for six Ar XV lines using our quantum mechanical formalism and the semiclassical perturbation one. Additionally, our calculations of the corresponding atomic structure data (energy levels and oscillator strengths) and collision strengths are given as well. The lines considered here are divided into two sets: a first set of four lines involving the ground level: 1s22s21S0- 1s22snp 1P1o where 2⩽n⩽5 and a second set of two lines involving excited levels: 1s22s2p 1P1o-1s22s3s 1S0 and 1s22s2p 3P0o-1s22s3s 3S1. An extensive comparison between the quantum and the semiclassical results was performed in order to analyze the reason for differences between quantum and semiclassical results up to the factor of two. It has been shown that the difference between the two results may be due to the evaluation of strong collision contributions by the semiclassical formalism. Except few semiclassical results, the present results are the first to be published. After the recent discovery of the far UV lines of Ar VII in the spectra of very hot central stars of planetary nebulae and white dwarfs, the present -and may be further- results can be used also for the corresponding future spectral analysis.

  9. Test One to Test Many: A Unified Approach to Quantum Benchmarks

    NASA Astrophysics Data System (ADS)

    Bai, Ge; Chiribella, Giulio

    2018-04-01

    Quantum benchmarks are routinely used to validate the experimental demonstration of quantum information protocols. Many relevant protocols, however, involve an infinite set of input states, of which only a finite subset can be used to test the quality of the implementation. This is a problem, because the benchmark for the finitely many states used in the test can be higher than the original benchmark calculated for infinitely many states. This situation arises in the teleportation and storage of coherent states, for which the benchmark of 50% fidelity is commonly used in experiments, although finite sets of coherent states normally lead to higher benchmarks. Here, we show that the average fidelity over all coherent states can be indirectly probed with a single setup, requiring only two-mode squeezing, a 50-50 beam splitter, and homodyne detection. Our setup enables a rigorous experimental validation of quantum teleportation, storage, amplification, attenuation, and purification of noisy coherent states. More generally, we prove that every quantum benchmark can be tested by preparing a single entangled state and measuring a single observable.

  10. Toxicological benchmarks for screening potential contaminants of concern for effects on aquatic biota: 1996 revision

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

    Suter, G.W. II; Tsao, C.L.

    1996-06-01

    This report presents potential screening benchmarks for protection of aquatic life form contaminants in water. Because there is no guidance for screening for benchmarks, a set of alternative benchmarks is presented herein. This report presents the alternative benchmarks for chemicals that have been detected on the Oak Ridge Reservation. It also presents the data used to calculate the benchmarks and the sources of the data. It compares the benchmarks and discusses their relative conservatism and utility. Also included is the updates of benchmark values where appropriate, new benchmark values, secondary sources are replaced by primary sources, and a more completemore » documentation of the sources and derivation of all values are presented.« less

  11. The MCNP6 Analytic Criticality Benchmark Suite

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

    Brown, Forrest B.

    2016-06-16

    Analytical benchmarks provide an invaluable tool for verifying computer codes used to simulate neutron transport. Several collections of analytical benchmark problems [1-4] are used routinely in the verification of production Monte Carlo codes such as MCNP® [5,6]. Verification of a computer code is a necessary prerequisite to the more complex validation process. The verification process confirms that a code performs its intended functions correctly. The validation process involves determining the absolute accuracy of code results vs. nature. In typical validations, results are computed for a set of benchmark experiments using a particular methodology (code, cross-section data with uncertainties, and modeling)more » and compared to the measured results from the set of benchmark experiments. The validation process determines bias, bias uncertainty, and possibly additional margins. Verification is generally performed by the code developers, while validation is generally performed by code users for a particular application space. The VERIFICATION_KEFF suite of criticality problems [1,2] was originally a set of 75 criticality problems found in the literature for which exact analytical solutions are available. Even though the spatial and energy detail is necessarily limited in analytical benchmarks, typically to a few regions or energy groups, the exact solutions obtained can be used to verify that the basic algorithms, mathematics, and methods used in complex production codes perform correctly. The present work has focused on revisiting this benchmark suite. A thorough review of the problems resulted in discarding some of them as not suitable for MCNP benchmarking. For the remaining problems, many of them were reformulated to permit execution in either multigroup mode or in the normal continuous-energy mode for MCNP. Execution of the benchmarks in continuous-energy mode provides a significant advance to MCNP verification methods.« less

  12. Jamaica Higher Education: Utilizing the Benchmarks of Joint Board Teaching Practice at Church Teachers' College

    ERIC Educational Resources Information Center

    Rose, Hyacinth P.

    2010-01-01

    This article reports a descriptive case study portraying a teaching-practice program designed to highlight the preparation of student-teachers for teaching practice, using the Joint Board of Teacher Education (JBTE) benchmarks, in a teachers' college in Jamaica. At Church Teachers' College (CTC) 22 informants of mixed gender were selected for the…

  13. Cross-industry benchmarking: is it applicable to the operating room?

    PubMed

    Marco, A P; Hart, S

    2001-01-01

    The use of benchmarking has been growing in nonmedical industries. This concept is being increasingly applied to medicine as the industry strives to improve quality and improve financial performance. Benchmarks can be either internal (set by the institution) or external (use other's performance as a goal). In some industries, benchmarking has crossed industry lines to identify breakthroughs in thinking. In this article, we examine whether the airline industry can be used as a source of external process benchmarking for the operating room.

  14. Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

    PubMed Central

    2013-01-01

    Background While a large body of work exists on comparing and benchmarking descriptors of molecular structures, a similar comparison of protein descriptor sets is lacking. Hence, in the current work a total of 13 amino acid descriptor sets have been benchmarked with respect to their ability of establishing bioactivity models. The descriptor sets included in the study are Z-scales (3 variants), VHSE, T-scales, ST-scales, MS-WHIM, FASGAI, BLOSUM, a novel protein descriptor set (termed ProtFP (4 variants)), and in addition we created and benchmarked three pairs of descriptor combinations. Prediction performance was evaluated in seven structure-activity benchmarks which comprise Angiotensin Converting Enzyme (ACE) dipeptidic inhibitor data, and three proteochemometric data sets, namely (1) GPCR ligands modeled against a GPCR panel, (2) enzyme inhibitors (NNRTIs) with associated bioactivities against a set of HIV enzyme mutants, and (3) enzyme inhibitors (PIs) with associated bioactivities on a large set of HIV enzyme mutants. Results The amino acid descriptor sets compared here show similar performance (<0.1 log units RMSE difference and <0.1 difference in MCC), while errors for individual proteins were in some cases found to be larger than those resulting from descriptor set differences ( > 0.3 log units RMSE difference and >0.7 difference in MCC). Combining different descriptor sets generally leads to better modeling performance than utilizing individual sets. The best performers were Z-scales (3) combined with ProtFP (Feature), or Z-Scales (3) combined with an average Z-Scale value for each target, while ProtFP (PCA8), ST-Scales, and ProtFP (Feature) rank last. Conclusions While amino acid descriptor sets capture different aspects of amino acids their ability to be used for bioactivity modeling is still – on average – surprisingly similar. Still, combining sets describing complementary information consistently leads to small but consistent improvement in modeling performance (average MCC 0.01 better, average RMSE 0.01 log units lower). Finally, performance differences exist between the targets compared thereby underlining that choosing an appropriate descriptor set is of fundamental for bioactivity modeling, both from the ligand- as well as the protein side. PMID:24059743

  15. FY 2003 Top 200 Users Survey Report

    DTIC Science & Technology

    2003-08-01

    ACSI Federal Government Benchmark* 68.6% 71.1% 70.2% DTIC Excels by +8.4 +10.9 +8.8 *ACSI is the official service quality benchmark for the Federal...10.9 +8.8 *ACSI is the official service quality benchmark for the Federal Government Fig 2.3 7 0 10 20 30 40 50 60 70 80 90 100 Very to Extremely...reported the following: 75 percent of users rated “Online Service Quality ” as “Very Good” to “Excellent,” 22 percent as “Good,” and 3 percent as

  16. Benchmarking of candidate detectors for multiresidue analysis of pesticides by comprehensive two-dimensional gas chromatography.

    PubMed

    Engel, Erwan; Ratel, Jérémy; Blinet, Patrick; Chin, Sung-Tong; Rose, Gavin; Marriott, Philip J

    2013-10-11

    The present study discusses the relevance, performance and complementarities of flame photometric detector in phosphorus (FPD/P) and sulfur (FPD/S) modes, micro electron capture detector (μECD), nitrogen phosphorus detector (NPD), flame ionization detector (FID) and time-of-flight mass spectrometer (TOF/MS) for the comprehensive two-dimensional gas chromatography (GC×GC) analysis of pesticides. A mix of 41 pesticides including organophosphorus pesticides, synthetic pyrethroids and fungicides was investigated in order to benchmark GC×GC systems in terms of linearity (R(2)), limits of detection (LOD), and peak shape measures (widths and asymmetries). A mixture of pesticides which contained the heteroatoms phosphorus, sulfur, nitrogen and one or several halogens, was used to acquire a comparative data set to monitor relative detector performances. GC×GC datasets were systematically compared to their GC counterpart acquired with an optimized one-dimensional GC configuration. Compared with FID, considered the most appropriate detector in terms of suitability for GC×GC, the element-selective detector FPD/P and μECD best met the peak widths (0.13-0.27s for FPD/P; 0.22-0.26s for μECD) and tailing factors (0.99-1.66 for FPD/P; 1.32-1.52 for μECD); NPD exhibited similar peak widths (0.23-0.30s), but exceeded those of the above detectors for tailing factors (1.97-2.13). These three detectors had improved detection limits of 3-7 times and 4-20 times lower LODs in GC×GC mode compared with FID and TOF-MS, respectively. In contrast FPD/S had poor peak shape (tailing factor 3.36-5.12) and much lower sensitivity (10-20 fold lower compared to FPD/P). In general, element-selective detectors with favorable detection metrics can be considered viable alternatives for pesticide determination using GC×GC in complex matrices. The controversial issue of sensitivity enhancement in GC×GC was considered for optimized GC and GC×GC operation. For all detectors, we found no significant LOD enhancement in GC×GC. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory.

    PubMed

    Yanai, Takeshi; Kurashige, Yuki; Neuscamman, Eric; Chan, Garnet Kin-Lic

    2010-01-14

    We describe the joint application of the density matrix renormalization group and canonical transformation theory to multireference quantum chemistry. The density matrix renormalization group provides the ability to describe static correlation in large active spaces, while the canonical transformation theory provides a high-order description of the dynamic correlation effects. We demonstrate the joint theory in two benchmark systems designed to test the dynamic and static correlation capabilities of the methods, namely, (i) total correlation energies in long polyenes and (ii) the isomerization curve of the [Cu(2)O(2)](2+) core. The largest complete active spaces and atomic orbital basis sets treated by the joint DMRG-CT theory in these systems correspond to a (24e,24o) active space and 268 atomic orbitals in the polyenes and a (28e,32o) active space and 278 atomic orbitals in [Cu(2)O(2)](2+).

  18. Benchmarking Year Five Students' Reading Abilities

    ERIC Educational Resources Information Center

    Lim, Chang Kuan; Eng, Lin Siew; Mohamed, Abdul Rashid

    2014-01-01

    Reading and understanding a written text is one of the most important skills in English learning.This study attempts to benchmark Year Five students' reading abilities of fifteen rural schools in a district in Malaysia. The objectives of this study are to develop a set of standardised written reading comprehension and a set of indicators to inform…

  19. Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes.

    PubMed

    Risthaus, Tobias; Grimme, Stefan

    2013-03-12

    A new test set (S12L) containing 12 supramolecular noncovalently bound complexes is presented and used to evaluate seven different methods to account for dispersion in DFT (DFT-D3, DFT-D2, DFT-NL, XDM, dDsC, TS-vdW, M06-L) at different basis set levels against experimental, back-corrected reference energies. This allows conclusions about the performance of each method in an explorative research setting on "real-life" problems. Most DFT methods show satisfactory performance but, due to the largeness of the complexes, almost always require an explicit correction for the nonadditive Axilrod-Teller-Muto three-body dispersion interaction to get accurate results. The necessity of using a method capable of accounting for dispersion is clearly demonstrated in that the two-body dispersion contributions are on the order of 20-150% of the total interaction energy. MP2 and some variants thereof are shown to be insufficient for this while a few tested D3-corrected semiempirical MO methods perform reasonably well. Overall, we suggest the use of this benchmark set as a "sanity check" against overfitting to too small molecular cases.

  20. Functionalized Single-Walled Carbon Nanotube-Based Fuel Cell Benchmarked Against US DOE 2017 Technical Targets

    PubMed Central

    Jha, Neetu; Ramesh, Palanisamy; Bekyarova, Elena; Tian, Xiaojuan; Wang, Feihu; Itkis, Mikhail E.; Haddon, Robert C.

    2013-01-01

    Chemically modified single-walled carbon nanotubes (SWNTs) with varying degrees of functionalization were utilized for the fabrication of SWNT thin film catalyst support layers (CSLs) in polymer electrolyte membrane fuel cells (PEMFCs), which were suitable for benchmarking against the US DOE 2017 targets. Use of the optimum level of SWNT -COOH functionality allowed the construction of a prototype SWNT-based PEMFC with total Pt loading of 0.06 mgPt/cm2 - well below the value of 0.125 mgPt/cm2 set as the US DOE 2017 technical target for total Pt group metals (PGM) loading. This prototype PEMFC also approaches the technical target for the total Pt content per kW of power (<0.125 gPGM/kW) at cell potential 0.65 V: a value of 0.15 gPt/kW was achieved at 80°C/22 psig testing conditions, which was further reduced to 0.12 gPt/kW at 35 psig back pressure. PMID:23877112

  1. Functionalized single-walled carbon nanotube-based fuel cell benchmarked against US DOE 2017 technical targets.

    PubMed

    Jha, Neetu; Ramesh, Palanisamy; Bekyarova, Elena; Tian, Xiaojuan; Wang, Feihu; Itkis, Mikhail E; Haddon, Robert C

    2013-01-01

    Chemically modified single-walled carbon nanotubes (SWNTs) with varying degrees of functionalization were utilized for the fabrication of SWNT thin film catalyst support layers (CSLs) in polymer electrolyte membrane fuel cells (PEMFCs), which were suitable for benchmarking against the US DOE 2017 targets. Use of the optimum level of SWNT -COOH functionality allowed the construction of a prototype SWNT-based PEMFC with total Pt loading of 0.06 mg(Pt)/cm²--well below the value of 0.125 mg(Pt)/cm² set as the US DOE 2017 technical target for total Pt group metals (PGM) loading. This prototype PEMFC also approaches the technical target for the total Pt content per kW of power (<0.125 g(PGM)/kW) at cell potential 0.65 V: a value of 0.15 g(Pt)/kW was achieved at 80°C/22 psig testing conditions, which was further reduced to 0.12 g(Pt)/kW at 35 psig back pressure.

  2. The randomized benchmarking number is not what you think it is

    NASA Astrophysics Data System (ADS)

    Proctor, Timothy; Rudinger, Kenneth; Blume-Kohout, Robin; Sarovar, Mohan; Young, Kevin

    Randomized benchmarking (RB) is a widely used technique for characterizing a gate set, whereby random sequences of gates are used to probe the average behavior of the gate set. The gates are chosen to ideally compose to the identity, and the rate of decay in the survival probability of an initial state with increasing length sequences is extracted from a set of experiments - this is the `RB number'. For reasonably well-behaved noise and particular gate sets, it has been claimed that the RB number is a reliable estimate of the average gate fidelity (AGF) of each noisy gate to the ideal target unitary, averaged over all gates in the set. Contrary to this widely held view, we show that this is not the case. We show that there are physically relevant situations, in which RB was thought to be provably reliable, where the RB number is many orders of magnitude away from the AGF. These results have important implications for interpreting the RB protocol, and immediate consequences for many advanced RB techniques. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  3. A Simplified Approach for the Rapid Generation of Transient Heat-Shield Environments

    NASA Technical Reports Server (NTRS)

    Wurster, Kathryn E.; Zoby, E. Vincent; Mills, Janelle C.; Kamhawi, Hilmi

    2007-01-01

    A simplified approach has been developed whereby transient entry heating environments are reliably predicted based upon a limited set of benchmark radiative and convective solutions. Heating, pressure and shear-stress levels, non-dimensionalized by an appropriate parameter at each benchmark condition are applied throughout the entry profile. This approach was shown to be valid based on the observation that the fully catalytic, laminar distributions examined were relatively insensitive to altitude as well as velocity throughout the regime of significant heating. In order to establish a best prediction by which to judge the results that can be obtained using a very limited benchmark set, predictions based on a series of benchmark cases along a trajectory are used. Solutions which rely only on the limited benchmark set, ideally in the neighborhood of peak heating, are compared against the resultant transient heating rates and total heat loads from the best prediction. Predictions based on using two or fewer benchmark cases at or near the trajectory peak heating condition, yielded results to within 5-10 percent of the best predictions. Thus, the method provides transient heating environments over the heat-shield face with sufficient resolution and accuracy for thermal protection system design and also offers a significant capability to perform rapid trade studies such as the effect of different trajectories, atmospheres, or trim angle of attack, on convective and radiative heating rates and loads, pressure, and shear-stress levels.

  4. Cloud-Based Evaluation of Anatomical Structure Segmentation and Landmark Detection Algorithms: VISCERAL Anatomy Benchmarks.

    PubMed

    Jimenez-Del-Toro, Oscar; Muller, Henning; Krenn, Markus; Gruenberg, Katharina; Taha, Abdel Aziz; Winterstein, Marianne; Eggel, Ivan; Foncubierta-Rodriguez, Antonio; Goksel, Orcun; Jakab, Andras; Kontokotsios, Georgios; Langs, Georg; Menze, Bjoern H; Salas Fernandez, Tomas; Schaer, Roger; Walleyo, Anna; Weber, Marc-Andre; Dicente Cid, Yashin; Gass, Tobias; Heinrich, Mattias; Jia, Fucang; Kahl, Fredrik; Kechichian, Razmig; Mai, Dominic; Spanier, Assaf B; Vincent, Graham; Wang, Chunliang; Wyeth, Daniel; Hanbury, Allan

    2016-11-01

    Variations in the shape and appearance of anatomical structures in medical images are often relevant radiological signs of disease. Automatic tools can help automate parts of this manual process. A cloud-based evaluation framework is presented in this paper including results of benchmarking current state-of-the-art medical imaging algorithms for anatomical structure segmentation and landmark detection: the VISCERAL Anatomy benchmarks. The algorithms are implemented in virtual machines in the cloud where participants can only access the training data and can be run privately by the benchmark administrators to objectively compare their performance in an unseen common test set. Overall, 120 computed tomography and magnetic resonance patient volumes were manually annotated to create a standard Gold Corpus containing a total of 1295 structures and 1760 landmarks. Ten participants contributed with automatic algorithms for the organ segmentation task, and three for the landmark localization task. Different algorithms obtained the best scores in the four available imaging modalities and for subsets of anatomical structures. The annotation framework, resulting data set, evaluation setup, results and performance analysis from the three VISCERAL Anatomy benchmarks are presented in this article. Both the VISCERAL data set and Silver Corpus generated with the fusion of the participant algorithms on a larger set of non-manually-annotated medical images are available to the research community.

  5. Requirements for benchmarking personal image retrieval systems

    NASA Astrophysics Data System (ADS)

    Bouguet, Jean-Yves; Dulong, Carole; Kozintsev, Igor; Wu, Yi

    2006-01-01

    It is now common to have accumulated tens of thousands of personal ictures. Efficient access to that many pictures can only be done with a robust image retrieval system. This application is of high interest to Intel processor architects. It is highly compute intensive, and could motivate end users to upgrade their personal computers to the next generations of processors. A key question is how to assess the robustness of a personal image retrieval system. Personal image databases are very different from digital libraries that have been used by many Content Based Image Retrieval Systems.1 For example a personal image database has a lot of pictures of people, but a small set of different people typically family, relatives, and friends. Pictures are taken in a limited set of places like home, work, school, and vacation destination. The most frequent queries are searched for people, and for places. These attributes, and many others affect how a personal image retrieval system should be benchmarked, and benchmarks need to be different from existing ones based on art images, or medical images for examples. The attributes of the data set do not change the list of components needed for the benchmarking of such systems as specified in2: - data sets - query tasks - ground truth - evaluation measures - benchmarking events. This paper proposed a way to build these components to be representative of personal image databases, and of the corresponding usage models.

  6. Winning Strategy: Set Benchmarks of Early Success to Build Momentum for the Long Term

    ERIC Educational Resources Information Center

    Spiro, Jody

    2012-01-01

    Change is a highly personal experience. Everyone participating in the effort has different reactions to change, different concerns, and different motivations for being involved. The smart change leader sets benchmarks along the way so there are guideposts and pause points instead of an endless change process. "Early wins"--a term used to describe…

  7. Correlation consistent basis sets for lanthanides: The atoms La–Lu

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

    Lu, Qing; Peterson, Kirk A., E-mail: kipeters@wsu.edu

    Using the 3rd-order Douglas-Kroll-Hess (DKH3) Hamiltonian, all-electron correlation consistent basis sets of double-, triple-, and quadruple-zeta quality have been developed for the lanthanide elements La through Lu. Basis sets designed for the recovery of valence correlation (defined here as 4f5s5p5d6s), cc-pVnZ-DK3, and outer-core correlation (valence + 4s4p4d), cc-pwCVnZ-DK3, are reported (n = D, T, and Q). Systematic convergence of both Hartree-Fock and correlation energies towards their respective complete basis set (CBS) limits are observed. Benchmark calculations of the first three ionization potentials (IPs) of La through Lu are reported at the DKH3 coupled cluster singles and doubles with perturbative triples,more » CCSD(T), level of theory, including effects of correlation down through the 4s electrons. Spin-orbit coupling is treated at the 2-component HF level. After extrapolation to the CBS limit, the average errors with respect to experiment were just 0.52, 1.14, and 4.24 kcal/mol for the 1st, 2nd, and 3rd IPs, respectively, compared to the average experimental uncertainties of 0.03, 1.78, and 2.65 kcal/mol, respectively. The new basis sets are also used in CCSD(T) benchmark calculations of the equilibrium geometries, atomization energies, and heats of formation for Gd{sub 2}, GdF, and GdF{sub 3}. Except for the equilibrium geometry and harmonic frequency of GdF, which are accurately known from experiment, all other calculated quantities represent significant improvements compared to the existing experimental quantities. With estimated uncertainties of about ±3 kcal/mol, the 0 K atomization energies (298 K heats of formation) are calculated to be (all in kcal/mol): 33.2 (160.1) for Gd{sub 2}, 151.7 (−36.6) for GdF, and 447.1 (−295.2) for GdF{sub 3}.« less

  8. Assessing the quality of GEOID12B model through field surveys

    NASA Astrophysics Data System (ADS)

    Elaksher, Ahmed; Kamtchang, Franck; Wegmann, Christian; Guerrero, Adalberto

    2018-01-01

    Elevation differences have been determined through conventional ground surveying techniques for over a century. Since the mid-80s GPS, GLONASS and other satellite systems have modernized the means by which elevation differences are observed. In this article, we assessed the quality of GEIOD12B through long-occupation GNSS static surveys. A set of NGS benchmarks was occupied for at least one hour using dual-frequency GNSS receivers. Collected measurements were processed using a single CORS station at most 24 kilometers from the benchmarks. Geoid undulation values were driven by subtracting measured ellipsoidal heights from the orthometric heights posted on the NGS website. To assess the quality of GEOID12B, we compared our computed vertical shifts at the benchmarks with those estimated from GEOID12B published by NGS. In addition, Kriging model was used to interpolate local maps for the geoid undulations from the benchmark heights. The maps were compared with corresponding parts of GEOID12B. No biases were detected in the results and only shifts due to random errors were found. Discrepancies in the range of ten centimetres were noticed between our geoid undulation and the values available from NGS.

  9. 15 CFR 801.11 - Rules and regulations for the BE-140, Benchmark Survey of Insurance Transactions by U.S...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ..., Benchmark Survey of Insurance Transactions by U.S. Insurance Companies with Foreign Persons. 801.11 Section... Transactions by U.S. Insurance Companies with Foreign Persons. (a) The BE-140, Benchmark Survey of Insurance Transactions by U.S. Insurance Companies with Foreign Persons, will be conducted covering calendar year 2008...

  10. 15 CFR 801.11 - Rules and regulations for the BE-140, Benchmark Survey of Insurance Transactions by U.S...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ..., Benchmark Survey of Insurance Transactions by U.S. Insurance Companies with Foreign Persons. 801.11 Section... Transactions by U.S. Insurance Companies with Foreign Persons. (a) The BE-140, Benchmark Survey of Insurance Transactions by U.S. Insurance Companies with Foreign Persons, will be conducted covering calendar year 2008...

  11. Can Middle-School Science Textbooks Help Students Learn Important Ideas? Findings from Project 2061's Curriculum Evaluation Study: Life Science

    ERIC Educational Resources Information Center

    Stern, Luli; Roseman, Jo Ellen

    2004-01-01

    The transfer of matter and energy from one organism to another and between organisms and their physical setting is a fundamental concept in life science. Not surprisingly, this concept is common to the "Benchmarks for Science Literacy" (American Association for the Advancement of Science, [1993]), the "National Science Education Standards"…

  12. Hydrologic characteristics of benchmark soils of Hawaii’s forest watersheds-

    Treesearch

    L. R. Ahuja; S. A. El-Swaify

    1975-01-01

    The project was initiated in May, 1972. the initial effort involved mapping of forest soils on the islands of Oahu and Kawaii, and collection of relevant literature for preparing the study plan. The detailed study plan (el-Swaify, 1972) was prepared after cooperative discussions with staff of the Institute of Pacific Islands Forestry, Honolulu, Hawaii, and set forth...

  13. Evaluating the Effect of Labeled Benchmarks on Children’s Number Line Estimation Performance and Strategy Use

    PubMed Central

    Peeters, Dominique; Sekeris, Elke; Verschaffel, Lieven; Luwel, Koen

    2017-01-01

    Some authors argue that age-related improvements in number line estimation (NLE) performance result from changes in strategy use. More specifically, children’s strategy use develops from only using the origin of the number line, to using the origin and the endpoint, to eventually also relying on the midpoint of the number line. Recently, Peeters et al. (unpublished) investigated whether the provision of additional unlabeled benchmarks at 25, 50, and 75% of the number line, positively affects third and fifth graders’ NLE performance and benchmark-based strategy use. It was found that only the older children benefitted from the presence of these benchmarks at the quartiles of the number line (i.e., 25 and 75%), as they made more use of these benchmarks, leading to more accurate estimates. A possible explanation for this lack of improvement in third graders might be their inability to correctly link the presented benchmarks with their corresponding numerical values. In the present study, we investigated whether labeling these benchmarks with their corresponding numerical values, would have a positive effect on younger children’s NLE performance and quartile-based strategy use as well. Third and sixth graders were assigned to one of three conditions: (a) a control condition with an empty number line bounded by 0 at the origin and 1,000 at the endpoint, (b) an unlabeled condition with three additional external benchmarks without numerical labels at 25, 50, and 75% of the number line, and (c) a labeled condition in which these benchmarks were labeled with 250, 500, and 750, respectively. Results indicated that labeling the benchmarks has a positive effect on third graders’ NLE performance and quartile-based strategy use, whereas sixth graders already benefited from the mere provision of unlabeled benchmarks. These findings imply that children’s benchmark-based strategy use can be stimulated by adding additional externally provided benchmarks on the number line, but that, depending on children’s age and familiarity with the number range, these additional external benchmarks might need to be labeled. PMID:28713302

  14. EPA's Benchmark Dose Modeling Software

    EPA Science Inventory

    The EPA developed the Benchmark Dose Software (BMDS) as a tool to help Agency risk assessors facilitate applying benchmark dose (BMD) method’s to EPA’s human health risk assessment (HHRA) documents. The application of BMD methods overcomes many well know limitations ...

  15. 78 FR 47671 - Proposed Information Collection; Comment Request; Benchmark Survey of Insurance Transactions by U...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-06

    ... Request; Benchmark Survey of Insurance Transactions by U.S. Insurance Companies with Foreign Persons...: I. Abstract Form BE-140, Benchmark Survey of Insurance Transactions by U.S. Insurance Companies with Foreign Persons, obtains annual data from all U.S. insurance companies that engage in the following...

  16. The National Practice Benchmark for Oncology: 2015 Report for 2014 Data

    PubMed Central

    Balch, Carla; Ogle, John D.

    2016-01-01

    The National Practice Benchmark (NPB) is a unique tool used to measure oncology practices against others across the country in a meaningful way despite variations in practice demographics, size, and setting. In today’s challenging economic environment, each practice positions service offerings and competitive advantages to attract patients. Although the data in the NPB report are primarily reported by community oncology practices, the business structure and arrangements with regional health care systems are also reflected in the benchmark report. The ability to produce detailed metrics is an accomplishment of excellence in business and clinical management. With these metrics, a practice should be able to measure and analyze its current business practices and make appropriate changes, if necessary. In this report, we build on the foundation initially established by Oncology Metrics (acquired by Flatiron Health in 2014) over years of data collection and refine definitions to deliver the NPB, which is uniquely meaningful in the oncology market. PMID:27006357

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

    Zou, Ling; Zhao, Haihua; Zhang, Hongbin

    Here, the one-dimensional water faucet problem is one of the classical benchmark problems originally proposed by Ransom to study the two-fluid two-phase flow model. With certain simplifications, such as massless gas phase and no wall and interfacial frictions, analytical solutions had been previously obtained for the transient liquid velocity and void fraction distribution. The water faucet problem and its analytical solutions have been widely used for the purposes of code assessment, benchmark and numerical verifications. In our previous study, the Ransom’s solutions were used for the mesh convergence study of a high-resolution spatial discretization scheme. It was found that, atmore » the steady state, an anticipated second-order spatial accuracy could not be achieved, when compared to the existing Ransom’s analytical solutions. A further investigation showed that the existing analytical solutions do not actually satisfy the commonly used two-fluid single-pressure two-phase flow equations. In this work, we present a new set of analytical solutions of the water faucet problem at the steady state, considering the gas phase density’s effect on pressure distribution. This new set of analytical solutions are used for mesh convergence studies, from which anticipated second-order of accuracy is achieved for the 2nd order spatial discretization scheme. In addition, extended Ransom’s transient solutions for the gas phase velocity and pressure are derived, with the assumption of decoupled liquid and gas pressures. Numerical verifications on the extended Ransom’s solutions are also presented.« less

  18. New analytical solutions to the two-phase water faucet problem

    DOE PAGES

    Zou, Ling; Zhao, Haihua; Zhang, Hongbin

    2016-06-17

    Here, the one-dimensional water faucet problem is one of the classical benchmark problems originally proposed by Ransom to study the two-fluid two-phase flow model. With certain simplifications, such as massless gas phase and no wall and interfacial frictions, analytical solutions had been previously obtained for the transient liquid velocity and void fraction distribution. The water faucet problem and its analytical solutions have been widely used for the purposes of code assessment, benchmark and numerical verifications. In our previous study, the Ransom’s solutions were used for the mesh convergence study of a high-resolution spatial discretization scheme. It was found that, atmore » the steady state, an anticipated second-order spatial accuracy could not be achieved, when compared to the existing Ransom’s analytical solutions. A further investigation showed that the existing analytical solutions do not actually satisfy the commonly used two-fluid single-pressure two-phase flow equations. In this work, we present a new set of analytical solutions of the water faucet problem at the steady state, considering the gas phase density’s effect on pressure distribution. This new set of analytical solutions are used for mesh convergence studies, from which anticipated second-order of accuracy is achieved for the 2nd order spatial discretization scheme. In addition, extended Ransom’s transient solutions for the gas phase velocity and pressure are derived, with the assumption of decoupled liquid and gas pressures. Numerical verifications on the extended Ransom’s solutions are also presented.« less

  19. Notes on numerical reliability of several statistical analysis programs

    USGS Publications Warehouse

    Landwehr, J.M.; Tasker, Gary D.

    1999-01-01

    This report presents a benchmark analysis of several statistical analysis programs currently in use in the USGS. The benchmark consists of a comparison between the values provided by a statistical analysis program for variables in the reference data set ANASTY and their known or calculated theoretical values. The ANASTY data set is an amendment of the Wilkinson NASTY data set that has been used in the statistical literature to assess the reliability (computational correctness) of calculated analytical results.

  20. Defining Spoken Language Benchmarks and Selecting Measures of Expressive Language Development for Young Children With Autism Spectrum Disorders

    PubMed Central

    Tager-Flusberg, Helen; Rogers, Sally; Cooper, Judith; Landa, Rebecca; Lord, Catherine; Paul, Rhea; Rice, Mabel; Stoel-Gammon, Carol; Wetherby, Amy; Yoder, Paul

    2010-01-01

    Purpose The aims of this article are twofold: (a) to offer a set of recommended measures that can be used for evaluating the efficacy of interventions that target spoken language acquisition as part of treatment research studies or for use in applied settings and (b) to propose and define a common terminology for describing levels of spoken language ability in the expressive modality and to set benchmarks for determining a child’s language level in order to establish a framework for comparing outcomes across intervention studies. Method The National Institute on Deafness and Other Communication Disorders assembled a group of researchers with interests and experience in the study of language development and disorders in young children with autism spectrum disorders. The group worked for 18 months through a series of conference calls and correspondence, culminating in a meeting held in December 2007 to achieve consensus on these aims. Results The authors recommend moving away from using the term functional speech, replacing it with a developmental framework. Rather, they recommend multiple sources of information to define language phases, including natural language samples, parent report, and standardized measures. They also provide guidelines and objective criteria for defining children’s spoken language expression in three major phases that correspond to developmental levels between 12 and 48 months of age. PMID:19380608

  1. Analytical three-dimensional neutron transport benchmarks for verification of nuclear engineering codes. Final report

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

    Ganapol, B.D.; Kornreich, D.E.

    Because of the requirement of accountability and quality control in the scientific world, a demand for high-quality analytical benchmark calculations has arisen in the neutron transport community. The intent of these benchmarks is to provide a numerical standard to which production neutron transport codes may be compared in order to verify proper operation. The overall investigation as modified in the second year renewal application includes the following three primary tasks. Task 1 on two dimensional neutron transport is divided into (a) single medium searchlight problem (SLP) and (b) two-adjacent half-space SLP. Task 2 on three-dimensional neutron transport covers (a) pointmore » source in arbitrary geometry, (b) single medium SLP, and (c) two-adjacent half-space SLP. Task 3 on code verification, includes deterministic and probabilistic codes. The primary aim of the proposed investigation was to provide a suite of comprehensive two- and three-dimensional analytical benchmarks for neutron transport theory applications. This objective has been achieved. The suite of benchmarks in infinite media and the three-dimensional SLP are a relatively comprehensive set of one-group benchmarks for isotropically scattering media. Because of time and resource limitations, the extensions of the benchmarks to include multi-group and anisotropic scattering are not included here. Presently, however, enormous advances in the solution for the planar Green`s function in an anisotropically scattering medium have been made and will eventually be implemented in the two- and three-dimensional solutions considered under this grant. Of particular note in this work are the numerical results for the three-dimensional SLP, which have never before been presented. The results presented were made possible only because of the tremendous advances in computing power that have occurred during the past decade.« less

  2. Benchmarking can add up for healthcare accounting.

    PubMed

    Czarnecki, M T

    1994-09-01

    In 1993, a healthcare accounting and finance benchmarking survey of hospital and nonhospital organizations gathered statistics about key common performance areas. A low response did not allow for statistically significant findings, but the survey identified performance measures that can be used in healthcare financial management settings. This article explains the benchmarking process and examines some of the 1993 study's findings.

  3. Utilizing Benchmarking to Study the Effectiveness of Parent-Child Interaction Therapy Implemented in a Community Setting

    ERIC Educational Resources Information Center

    Self-Brown, Shannon; Valente, Jessica R.; Wild, Robert C.; Whitaker, Daniel J.; Galanter, Rachel; Dorsey, Shannon; Stanley, Jenelle

    2012-01-01

    Benchmarking is a program evaluation approach that can be used to study whether the outcomes of parents/children who participate in an evidence-based program in the community approximate the outcomes found in randomized trials. This paper presents a case illustration using benchmarking methodology to examine a community implementation of…

  4. Benchmarking of Methods for Genomic Taxonomy

    DOE PAGES

    Larsen, Mette V.; Cosentino, Salvatore; Lukjancenko, Oksana; ...

    2014-02-26

    One of the first issues that emerges when a prokaryotic organism of interest is encountered is the question of what it is—that is, which species it is. The 16S rRNA gene formed the basis of the first method for sequence-based taxonomy and has had a tremendous impact on the field of microbiology. Nevertheless, the method has been found to have a number of shortcomings. In this paper, we trained and benchmarked five methods for whole-genome sequence-based prokaryotic species identification on a common data set of complete genomes: (i) SpeciesFinder, which is based on the complete 16S rRNA gene; (ii) Reads2Typemore » that searches for species-specific 50-mers in either the 16S rRNA gene or the gyrB gene (for the Enterobacteraceae family); (iii) the ribosomal multilocus sequence typing (rMLST) method that samples up to 53 ribosomal genes; (iv) TaxonomyFinder, which is based on species-specific functional protein domain profiles; and finally (v) KmerFinder, which examines the number of cooccurring k-mers (substrings of k nucleotides in DNA sequence data). The performances of the methods were subsequently evaluated on three data sets of short sequence reads or draft genomes from public databases. In total, the evaluation sets constituted sequence data from more than 11,000 isolates covering 159 genera and 243 species. Our results indicate that methods that sample only chromosomal, core genes have difficulties in distinguishing closely related species which only recently diverged. Finally, the KmerFinder method had the overall highest accuracy and correctly identified from 93% to 97% of the isolates in the evaluations sets.« less

  5. Neutron Reference Benchmark Field Specification: ACRR Free-Field Environment (ACRR-FF-CC-32-CL).

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

    Vega, Richard Manuel; Parma, Edward J.; Griffin, Patrick J.

    2015-07-01

    This report was put together to support the International Atomic Energy Agency (IAEA) REAL- 2016 activity to validate the dosimetry community’s ability to use a consistent set of activation data and to derive consistent spectral characterizations. The report captures details of integral measurements taken in the Annular Core Research Reactor (ACRR) central cavity free-field reference neutron benchmark field. The field is described and an “a priori” calculated neutron spectrum is reported, based on MCNP6 calculations, and a subject matter expert (SME) based covariance matrix is given for this “a priori” spectrum. The results of 31 integral dosimetry measurements in themore » neutron field are reported.« less

  6. Optimal type 2 diabetes mellitus management: the randomised controlled OPTIMISE benchmarking study: baseline results from six European countries.

    PubMed

    Hermans, Michel P; Brotons, Carlos; Elisaf, Moses; Michel, Georges; Muls, Erik; Nobels, Frank

    2013-12-01

    Micro- and macrovascular complications of type 2 diabetes have an adverse impact on survival, quality of life and healthcare costs. The OPTIMISE (OPtimal Type 2 dIabetes Management Including benchmarking and Standard trEatment) trial comparing physicians' individual performances with a peer group evaluates the hypothesis that benchmarking, using assessments of change in three critical quality indicators of vascular risk: glycated haemoglobin (HbA1c), low-density lipoprotein-cholesterol (LDL-C) and systolic blood pressure (SBP), may improve quality of care in type 2 diabetes in the primary care setting. This was a randomised, controlled study of 3980 patients with type 2 diabetes. Six European countries participated in the OPTIMISE study (NCT00681850). Quality of care was assessed by the percentage of patients achieving pre-set targets for the three critical quality indicators over 12 months. Physicians were randomly assigned to receive either benchmarked or non-benchmarked feedback. All physicians received feedback on six of their patients' modifiable outcome indicators (HbA1c, fasting glycaemia, total cholesterol, high-density lipoprotein-cholesterol (HDL-C), LDL-C and triglycerides). Physicians in the benchmarking group additionally received information on levels of control achieved for the three critical quality indicators compared with colleagues. At baseline, the percentage of evaluable patients (N = 3980) achieving pre-set targets was 51.2% (HbA1c; n = 2028/3964); 34.9% (LDL-C; n = 1350/3865); 27.3% (systolic blood pressure; n = 911/3337). OPTIMISE confirms that target achievement in the primary care setting is suboptimal for all three critical quality indicators. This represents an unmet but modifiable need to revisit the mechanisms and management of improving care in type 2 diabetes. OPTIMISE will help to assess whether benchmarking is a useful clinical tool for improving outcomes in type 2 diabetes.

  7. Benchmarking Memory Performance with the Data Cube Operator

    NASA Technical Reports Server (NTRS)

    Frumkin, Michael A.; Shabanov, Leonid V.

    2004-01-01

    Data movement across a computer memory hierarchy and across computational grids is known to be a limiting factor for applications processing large data sets. We use the Data Cube Operator on an Arithmetic Data Set, called ADC, to benchmark capabilities of computers and of computational grids to handle large distributed data sets. We present a prototype implementation of a parallel algorithm for computation of the operatol: The algorithm follows a known approach for computing views from the smallest parent. The ADC stresses all levels of grid memory and storage by producing some of 2d views of an Arithmetic Data Set of d-tuples described by a small number of integers. We control data intensity of the ADC by selecting the tuple parameters, the sizes of the views, and the number of realized views. Benchmarking results of memory performance of a number of computer architectures and of a small computational grid are presented.

  8. Principal Angle Enrichment Analysis (PAEA): Dimensionally Reduced Multivariate Gene Set Enrichment Analysis Tool

    PubMed Central

    Clark, Neil R.; Szymkiewicz, Maciej; Wang, Zichen; Monteiro, Caroline D.; Jones, Matthew R.; Ma’ayan, Avi

    2016-01-01

    Gene set analysis of differential expression, which identifies collectively differentially expressed gene sets, has become an important tool for biology. The power of this approach lies in its reduction of the dimensionality of the statistical problem and its incorporation of biological interpretation by construction. Many approaches to gene set analysis have been proposed, but benchmarking their performance in the setting of real biological data is difficult due to the lack of a gold standard. In a previously published work we proposed a geometrical approach to differential expression which performed highly in benchmarking tests and compared well to the most popular methods of differential gene expression. As reported, this approach has a natural extension to gene set analysis which we call Principal Angle Enrichment Analysis (PAEA). PAEA employs dimensionality reduction and a multivariate approach for gene set enrichment analysis. However, the performance of this method has not been assessed nor its implementation as a web-based tool. Here we describe new benchmarking protocols for gene set analysis methods and find that PAEA performs highly. The PAEA method is implemented as a user-friendly web-based tool, which contains 70 gene set libraries and is freely available to the community. PMID:26848405

  9. Principal Angle Enrichment Analysis (PAEA): Dimensionally Reduced Multivariate Gene Set Enrichment Analysis Tool.

    PubMed

    Clark, Neil R; Szymkiewicz, Maciej; Wang, Zichen; Monteiro, Caroline D; Jones, Matthew R; Ma'ayan, Avi

    2015-11-01

    Gene set analysis of differential expression, which identifies collectively differentially expressed gene sets, has become an important tool for biology. The power of this approach lies in its reduction of the dimensionality of the statistical problem and its incorporation of biological interpretation by construction. Many approaches to gene set analysis have been proposed, but benchmarking their performance in the setting of real biological data is difficult due to the lack of a gold standard. In a previously published work we proposed a geometrical approach to differential expression which performed highly in benchmarking tests and compared well to the most popular methods of differential gene expression. As reported, this approach has a natural extension to gene set analysis which we call Principal Angle Enrichment Analysis (PAEA). PAEA employs dimensionality reduction and a multivariate approach for gene set enrichment analysis. However, the performance of this method has not been assessed nor its implementation as a web-based tool. Here we describe new benchmarking protocols for gene set analysis methods and find that PAEA performs highly. The PAEA method is implemented as a user-friendly web-based tool, which contains 70 gene set libraries and is freely available to the community.

  10. Performance Evaluation of Supercomputers using HPCC and IMB Benchmarks

    NASA Technical Reports Server (NTRS)

    Saini, Subhash; Ciotti, Robert; Gunney, Brian T. N.; Spelce, Thomas E.; Koniges, Alice; Dossa, Don; Adamidis, Panagiotis; Rabenseifner, Rolf; Tiyyagura, Sunil R.; Mueller, Matthias; hide

    2006-01-01

    The HPC Challenge (HPCC) benchmark suite and the Intel MPI Benchmark (IMB) are used to compare and evaluate the combined performance of processor, memory subsystem and interconnect fabric of five leading supercomputers - SGI Altix BX2, Cray XI, Cray Opteron Cluster, Dell Xeon cluster, and NEC SX-8. These five systems use five different networks (SGI NUMALINK4, Cray network, Myrinet, InfiniBand, and NEC IXS). The complete set of HPCC benchmarks are run on each of these systems. Additionally, we present Intel MPI Benchmarks (IMB) results to study the performance of 11 MPI communication functions on these systems.

  11. Elementary School Students' Science Talk Ability in Inquiry-Oriented Settings in Taiwan: Test Development, Verification, and Performance Benchmarks

    ERIC Educational Resources Information Center

    Lin, Sheau-Wen; Liu, Yu; Chen, Shin-Feng; Wang, Jing-Ru; Kao, Huey-Lien

    2016-01-01

    The purpose of this study was to develop a computer-based measure of elementary students' science talk and to report students' benchmarks. The development procedure had three steps: defining the framework of the test, collecting and identifying key reference sets of science talk, and developing and verifying the science talk instrument. The…

  12. Maximizing Use of Extension Beef Cattle Benchmarks Data Derived from Cow Herd Appraisal Performance Software

    ERIC Educational Resources Information Center

    Ramsay, Jennifer M.; Hanna, Lauren L. Hulsman; Ringwall, Kris A.

    2016-01-01

    One goal of Extension is to provide practical information that makes a difference to producers. Cow Herd Appraisal Performance Software (CHAPS) has provided beef producers with production benchmarks for 30 years, creating a large historical data set. Many such large data sets contain useful information but are underutilized. Our goal was to create…

  13. Maximising Benefit from Defence Research: A Review of Defence Research and Technology for Alignment, Quality and Exploitation

    DTIC Science & Technology

    2006-09-01

    exploited and that we get best value for money from our investment. We announced in the Strategy that we had set in place an evidence-based peer review of...currently meets the Department’s needs. The study was also to set a benchmark for future regular reviews of the programme to ensure quality, value for...The level of resources devoted to such research should be seen in the context of the overall value of expenditure flowing from such decisions. The

  14. Benchmarking for Excellence and the Nursing Process

    NASA Technical Reports Server (NTRS)

    Sleboda, Claire

    1999-01-01

    Nursing is a service profession. The services provided are essential to life and welfare. Therefore, setting the benchmark for high quality care is fundamental. Exploring the definition of a benchmark value will help to determine a best practice approach. A benchmark is the descriptive statement of a desired level of performance against which quality can be judged. It must be sufficiently well understood by managers and personnel in order that it may serve as a standard against which to measure value.

  15. Alternative industrial carbon emissions benchmark based on input-output analysis

    NASA Astrophysics Data System (ADS)

    Han, Mengyao; Ji, Xi

    2016-12-01

    Some problems exist in the current carbon emissions benchmark setting systems. The primary consideration for industrial carbon emissions standards highly relate to direct carbon emissions (power-related emissions) and only a portion of indirect emissions are considered in the current carbon emissions accounting processes. This practice is insufficient and may cause double counting to some extent due to mixed emission sources. To better integrate and quantify direct and indirect carbon emissions, an embodied industrial carbon emissions benchmark setting method is proposed to guide the establishment of carbon emissions benchmarks based on input-output analysis. This method attempts to link direct carbon emissions with inter-industrial economic exchanges and systematically quantifies carbon emissions embodied in total product delivery chains. The purpose of this study is to design a practical new set of embodied intensity-based benchmarks for both direct and indirect carbon emissions. Beijing, at the first level of carbon emissions trading pilot schemes in China, plays a significant role in the establishment of these schemes and is chosen as an example in this study. The newly proposed method tends to relate emissions directly to each responsibility in a practical way through the measurement of complex production and supply chains and reduce carbon emissions from their original sources. This method is expected to be developed under uncertain internal and external contexts and is further expected to be generalized to guide the establishment of industrial benchmarks for carbon emissions trading schemes in China and other countries.

  16. Comparing Hospital Processes and Outcomes in California Medicare Beneficiaries: Simulation Prompts Reconsideration

    PubMed Central

    Escobar, Gabriel J; Baker, Jennifer M; Turk, Benjamin J; Draper, David; Liu, Vincent; Kipnis, Patricia

    2017-01-01

    Introduction This article is not a traditional research report. It describes how conducting a specific set of benchmarking analyses led us to broader reflections on hospital benchmarking. We reexamined an issue that has received far less attention from researchers than in the past: How variations in the hospital admission threshold might affect hospital rankings. Considering this threshold made us reconsider what benchmarking is and what future benchmarking studies might be like. Although we recognize that some of our assertions are speculative, they are based on our reading of the literature and previous and ongoing data analyses being conducted in our research unit. We describe the benchmarking analyses that led to these reflections. Objectives The Centers for Medicare and Medicaid Services’ Hospital Compare Web site includes data on fee-for-service Medicare beneficiaries but does not control for severity of illness, which requires physiologic data now available in most electronic medical records. To address this limitation, we compared hospital processes and outcomes among Kaiser Permanente Northern California’s (KPNC) Medicare Advantage beneficiaries and non-KPNC California Medicare beneficiaries between 2009 and 2010. Methods We assigned a simulated severity of illness measure to each record and explored the effect of having the additional information on outcomes. Results We found that if the admission severity of illness in non-KPNC hospitals increased, KPNC hospitals’ mortality performance would appear worse; conversely, if admission severity at non-KPNC hospitals’ decreased, KPNC hospitals’ performance would appear better. Conclusion Future hospital benchmarking should consider the impact of variation in admission thresholds. PMID:29035176

  17. Comparison of Four PD-L1 Immunohistochemical Assays in Lung Cancer.

    PubMed

    Hendry, Shona; Byrne, David J; Wright, Gavin M; Young, Richard J; Sturrock, Sue; Cooper, Wendy A; Fox, Stephen B

    2018-03-01

    Four different programmed death ligand 1 immunohistochemical assays are approved or in development as companion or complementary diagnostics to different immunotherapeutic agents in lung carcinoma. We sought to determine whether these assays are technically equivalent and whether one antibody can be used on an alternate staining platform. Serial sections of tissue microarrays constructed from 368 cases of resected lung cancer were stained for 22C3 and 28-8 on the Dako Link 48 platform (Dako, Carpinteria, Ca) and for SP142 and SP263 on the Ventana Benchmark Ultra platform (Ventana Medical Systems, Tucson, AZ) strictly as per product insert. A protocol was developed to use the 22C3 antibody on the Ventana Benchmark Ultra platform. Differences in mean tumor cell and immune cell staining were observed between the four assays (p < 0.001). Differences between 22C3 and 28-8 were not statistically significant. Concordance of tumor cell scores was good (intraclass correlation coefficient [ICC] = 0.674), particularly when SP142 was excluded as an outlier (ICC = 0.755). The highest concordance was seen between 22C3 and 28-8 (ICC = 0.812). Concordance was poor for immune cell staining (ICC = 0.212). When dichotomized according to clinically relevant cutoffs, pairwise comparisons showed poor to moderate concordance (κ = 0.196-0.578), with positive percent agreement ranging from 15.1% to 90.0%. The 22C3 antibody performed comparably on the Dako Link 48 platform and the alternate Ventana Benchmark Ultra platform (ICC = 0.921, κ = 0.897). Concordance between the four programmed death ligand 1 immunohistochemical assays when performed and scored as intended show that apart from 28-8 and 22C3, they cannot be used interchangeably in clinical practice. A protocol was successfully developed to use 22C3 on an alternate platform, which may help to overcome some barriers to implementation. Copyright © 2017 International Association for the Study of Lung Cancer. All rights reserved.

  18. 22 CFR 1422.3 - Timeliness of petition.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... Secretary as set forth in 22 U.S.C. 4113(f), absent unusual circumstances. (d) A petition for exclusive... bargaining agreements which go into effect automatically pursuant to 22 U.S.C. 4113(f) and which do not... 22 Foreign Relations 2 2011-04-01 2009-04-01 true Timeliness of petition. 1422.3 Section 1422.3...

  19. 22 CFR 1422.3 - Timeliness of petition.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... Secretary as set forth in 22 U.S.C. 4113(f), absent unusual circumstances. (d) A petition for exclusive... bargaining agreements which go into effect automatically pursuant to 22 U.S.C. 4113(f) and which do not... 22 Foreign Relations 2 2012-04-01 2009-04-01 true Timeliness of petition. 1422.3 Section 1422.3...

  20. 22 CFR 1422.3 - Timeliness of petition.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Secretary as set forth in 22 U.S.C. 4113(f), absent unusual circumstances. (d) A petition for exclusive... bargaining agreements which go into effect automatically pursuant to 22 U.S.C. 4113(f) and which do not... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Timeliness of petition. 1422.3 Section 1422.3...

  1. 22 CFR 1422.3 - Timeliness of petition.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... Secretary as set forth in 22 U.S.C. 4113(f), absent unusual circumstances. (d) A petition for exclusive... bargaining agreements which go into effect automatically pursuant to 22 U.S.C. 4113(f) and which do not... 22 Foreign Relations 2 2014-04-01 2014-04-01 false Timeliness of petition. 1422.3 Section 1422.3...

  2. 22 CFR 1422.3 - Timeliness of petition.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... Secretary as set forth in 22 U.S.C. 4113(f), absent unusual circumstances. (d) A petition for exclusive... bargaining agreements which go into effect automatically pursuant to 22 U.S.C. 4113(f) and which do not... 22 Foreign Relations 2 2013-04-01 2009-04-01 true Timeliness of petition. 1422.3 Section 1422.3...

  3. It's Not Education by Zip Code Anymore--But What is It? Conceptions of Equity under the Common Core

    ERIC Educational Resources Information Center

    Kornhaber, Mindy L.; Griffith, Kelly; Tyler, Alison

    2014-01-01

    The Common Core State Standards Initiative is a standards-based reform in which 45 U.S. states and the District of Columbia have agreed to participate. The reform seeks to anchor primary and secondary education across these states in one set of demanding, internationally benchmarked standards. Thereby, all students will be prepared for further…

  4. 27 CFR 9.171 - San Bernabe.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... benchmark 304, located one-half mile southwest of King City, along the Salinas River, in Township 20 South (T20S) and Range 8 East (R8E). Proceed southeast in a straight line for 2.35 miles to benchmark 304, at... miles to benchmark 336, between U.S. Highway 101 and the Salinas River, in T20S and R8E (San Lucas...

  5. 27 CFR 9.171 - San Bernabe.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... benchmark 304, located one-half mile southwest of King City, along the Salinas River, in Township 20 South (T20S) and Range 8 East (R8E). Proceed southeast in a straight line for 2.35 miles to benchmark 304, at... miles to benchmark 336, between U.S. Highway 101 and the Salinas River, in T20S and R8E (San Lucas...

  6. 27 CFR 9.171 - San Bernabe.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... benchmark 304, located one-half mile southwest of King City, along the Salinas River, in Township 20 South (T20S) and Range 8 East (R8E). Proceed southeast in a straight line for 2.35 miles to benchmark 304, at... miles to benchmark 336, between U.S. Highway 101 and the Salinas River, in T20S and R8E (San Lucas...

  7. 27 CFR 9.171 - San Bernabe.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... benchmark 304, located one-half mile southwest of King City, along the Salinas River, in Township 20 South (T20S) and Range 8 East (R8E). Proceed southeast in a straight line for 2.35 miles to benchmark 304, at... miles to benchmark 336, between U.S. Highway 101 and the Salinas River, in T20S and R8E (San Lucas...

  8. 27 CFR 9.171 - San Bernabe.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... benchmark 304, located one-half mile southwest of King City, along the Salinas River, in Township 20 South (T20S) and Range 8 East (R8E). Proceed southeast in a straight line for 2.35 miles to benchmark 304, at... miles to benchmark 336, between U.S. Highway 101 and the Salinas River, in T20S and R8E (San Lucas...

  9. 15 CFR 801.12 - Rules and regulations for the BE-140, Benchmark Survey of Insurance Transactions by U.S...

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... insurance company. Part 3 requests information needed to determine whether a report is required, the types..., Benchmark Survey of Insurance Transactions by U.S. Insurance Companies with Foreign Persons. 801.12 Section... Transactions by U.S. Insurance Companies with Foreign Persons. (a) The BE-140, Benchmark Survey of Insurance...

  10. Benchmark of Ab Initio Bethe-Salpeter Equation Approach with Numeric Atom-Centered Orbitals

    NASA Astrophysics Data System (ADS)

    Liu, Chi; Kloppenburg, Jan; Kanai, Yosuke; Blum, Volker

    The Bethe-Salpeter equation (BSE) approach based on the GW approximation has been shown to be successful for optical spectra prediction of solids and recently also for small molecules. We here present an all-electron implementation of the BSE using numeric atom-centered orbital (NAO) basis sets. In this work, we present benchmark of BSE implemented in FHI-aims for low-lying excitation energies for a set of small organic molecules, the well-known Thiel's set. The difference between our implementation (using an analytic continuation of the GW self-energy on the real axis) and the results generated by a fully frequency dependent GW treatment on the real axis is on the order of 0.07 eV for the benchmark molecular set. We study the convergence behavior to the complete basis set limit for excitation spectra, using a group of valence correlation consistent NAO basis sets (NAO-VCC-nZ), as well as for standard NAO basis sets for ground state DFT with extended augmentation functions (NAO+aug). The BSE results and convergence behavior are compared to linear-response time-dependent DFT, where excellent numerical convergence is shown for NAO+aug basis sets.

  11. Ensuring Academic Depth and Rigour in Teacher Education through Benchmarking, with Special Attention to Context

    ERIC Educational Resources Information Center

    Steyn, H. J.; van der Walt, J. L.; Wolhuter, C. C.

    2016-01-01

    Benchmarking is one way of ensuring academic depth and rigour in teacher education. After making a case for setting benchmarks in teacher education based on the widely recognised intra-education system contextual factors, the importance of also taking into account the external (e.g. the national-social) context in which teacher education occurs is…

  12. Evaluation of various LandFlux evapotranspiration algorithms using the LandFlux-EVAL synthesis benchmark products and observational data

    NASA Astrophysics Data System (ADS)

    Michel, Dominik; Hirschi, Martin; Jimenez, Carlos; McCabe, Mathew; Miralles, Diego; Wood, Eric; Seneviratne, Sonia

    2014-05-01

    Research on climate variations and the development of predictive capabilities largely rely on globally available reference data series of the different components of the energy and water cycles. Several efforts aimed at producing large-scale and long-term reference data sets of these components, e.g. based on in situ observations and remote sensing, in order to allow for diagnostic analyses of the drivers of temporal variations in the climate system. Evapotranspiration (ET) is an essential component of the energy and water cycle, which can not be monitored directly on a global scale by remote sensing techniques. In recent years, several global multi-year ET data sets have been derived from remote sensing-based estimates, observation-driven land surface model simulations or atmospheric reanalyses. The LandFlux-EVAL initiative presented an ensemble-evaluation of these data sets over the time periods 1989-1995 and 1989-2005 (Mueller et al. 2013). Currently, a multi-decadal global reference heat flux data set for ET at the land surface is being developed within the LandFlux initiative of the Global Energy and Water Cycle Experiment (GEWEX). This LandFlux v0 ET data set comprises four ET algorithms forced with a common radiation and surface meteorology. In order to estimate the agreement of this LandFlux v0 ET data with existing data sets, it is compared to the recently available LandFlux-EVAL synthesis benchmark product. Additional evaluation of the LandFlux v0 ET data set is based on a comparison to in situ observations of a weighing lysimeter from the hydrological research site Rietholzbach in Switzerland. These analyses serve as a test bed for similar evaluation procedures that are envisaged for ESA's WACMOS-ET initiative (http://wacmoset.estellus.eu). Reference: Mueller, B., Hirschi, M., Jimenez, C., Ciais, P., Dirmeyer, P. A., Dolman, A. J., Fisher, J. B., Jung, M., Ludwig, F., Maignan, F., Miralles, D. G., McCabe, M. F., Reichstein, M., Sheffield, J., Wang, K., Wood, E. F., Zhang, Y., and Seneviratne, S. I. (2013). Benchmark products for land evapotranspiration: LandFlux-EVAL multi-data set synthesis. Hydrology and Earth System Sciences, 17(10): 3707-3720.

  13. Zn Coordination Chemistry:  Development of Benchmark Suites for Geometries, Dipole Moments, and Bond Dissociation Energies and Their Use To Test and Validate Density Functionals and Molecular Orbital Theory.

    PubMed

    Amin, Elizabeth A; Truhlar, Donald G

    2008-01-01

    We present nonrelativistic and relativistic benchmark databases (obtained by coupled cluster calculations) of 10 Zn-ligand bond distances, 8 dipole moments, and 12 bond dissociation energies in Zn coordination compounds with O, S, NH3, H2O, OH, SCH3, and H ligands. These are used to test the predictions of 39 density functionals, Hartree-Fock theory, and seven more approximate molecular orbital theories. In the nonrelativisitic case, the M05-2X, B97-2, and mPW1PW functionals emerge as the most accurate ones for this test data, with unitless balanced mean unsigned errors (BMUEs) of 0.33, 0.38, and 0.43, respectively. The best local functionals (i.e., functionals with no Hartree-Fock exchange) are M06-L and τ-HCTH with BMUEs of 0.54 and 0.60, respectively. The popular B3LYP functional has a BMUE of 0.51, only slightly better than the value of 0.54 for the best local functional, which is less expensive. Hartree-Fock theory itself has a BMUE of 1.22. The M05-2X functional has a mean unsigned error of 0.008 Å for bond lengths, 0.19 D for dipole moments, and 4.30 kcal/mol for bond energies. The X3LYP functional has a smaller mean unsigned error (0.007 Å) for bond lengths but has mean unsigned errors of 0.43 D for dipole moments and 5.6 kcal/mol for bond energies. The M06-2X functional has a smaller mean unsigned error (3.3 kcal/mol) for bond energies but has mean unsigned errors of 0.017 Å for bond lengths and 0.37 D for dipole moments. The best of the semiempirical molecular orbital theories are PM3 and PM6, with BMUEs of 1.96 and 2.02, respectively. The ten most accurate functionals from the nonrelativistic benchmark analysis are then tested in relativistic calculations against new benchmarks obtained with coupled-cluster calculations and a relativistic effective core potential, resulting in M05-2X (BMUE = 0.895), PW6B95 (BMUE = 0.90), and B97-2 (BMUE = 0.93) as the top three functionals. We find significant relativistic effects (∼0.01 Å in bond lengths, ∼0.2 D in dipole moments, and ∼4 kcal/mol in Zn-ligand bond energies) that cannot be neglected for accurate modeling, but the same density functionals that do well in all-electron nonrelativistic calculations do well with relativistic effective core potentials. Although most tests are carried out with augmented polarized triple-ζ basis sets, we also carried out some tests with an augmented polarized double-ζ basis set, and we found, on average, that with the smaller basis set DFT has no loss in accuracy for dipole moments and only ∼10% less accurate bond lengths.

  14. Benchmarking Multilayer-HySEA model for landslide generated tsunami. HTHMP validation process.

    NASA Astrophysics Data System (ADS)

    Macias, J.; Escalante, C.; Castro, M. J.

    2017-12-01

    Landslide tsunami hazard may be dominant along significant parts of the coastline around the world, in particular in the USA, as compared to hazards from other tsunamigenic sources. This fact motivated NTHMP about the need of benchmarking models for landslide generated tsunamis, following the same methodology already used for standard tsunami models when the source is seismic. To perform the above-mentioned validation process, a set of candidate benchmarks were proposed. These benchmarks are based on a subset of available laboratory data sets for solid slide experiments and deformable slide experiments, and include both submarine and subaerial slides. A benchmark based on a historic field event (Valdez, AK, 1964) close the list of proposed benchmarks. A total of 7 benchmarks. The Multilayer-HySEA model including non-hydrostatic effects has been used to perform all the benchmarking problems dealing with laboratory experiments proposed in the workshop that was organized at Texas A&M University - Galveston, on January 9-11, 2017 by NTHMP. The aim of this presentation is to show some of the latest numerical results obtained with the Multilayer-HySEA (non-hydrostatic) model in the framework of this validation effort.Acknowledgements. This research has been partially supported by the Spanish Government Research project SIMURISK (MTM2015-70490-C02-01-R) and University of Malaga, Campus de Excelencia Internacional Andalucía Tech. The GPU computations were performed at the Unit of Numerical Methods (University of Malaga).

  15. Patient radiation doses in interventional cardiology in the U.S.: Advisory data sets and possible initial values for U.S. reference levels

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

    Miller, Donald L.; Hilohi, C. Michael; Spelic, David C.

    2012-10-15

    Purpose: To determine patient radiation doses from interventional cardiology procedures in the U.S and to suggest possible initial values for U.S. benchmarks for patient radiation dose from selected interventional cardiology procedures [fluoroscopically guided diagnostic cardiac catheterization and percutaneous coronary intervention (PCI)]. Methods: Patient radiation dose metrics were derived from analysis of data from the 2008 to 2009 Nationwide Evaluation of X-ray Trends (NEXT) survey of cardiac catheterization. This analysis used deidentified data and did not require review by an IRB. Data from 171 facilities in 30 states were analyzed. The distributions (percentiles) of radiation dose metrics were determined for diagnosticmore » cardiac catheterizations, PCI, and combined diagnostic and PCI procedures. Confidence intervals for these dose distributions were determined using bootstrap resampling. Results: Percentile distributions (advisory data sets) and possible preliminary U.S. reference levels (based on the 75th percentile of the dose distributions) are provided for cumulative air kerma at the reference point (K{sub a,r}), cumulative air kerma-area product (P{sub KA}), fluoroscopy time, and number of cine runs. Dose distributions are sufficiently detailed to permit dose audits as described in National Council on Radiation Protection and Measurements Report No. 168. Fluoroscopy times are consistent with those observed in European studies, but P{sub KA} is higher in the U.S. Conclusions: Sufficient data exist to suggest possible initial benchmarks for patient radiation dose for certain interventional cardiology procedures in the U.S. Our data suggest that patient radiation dose in these procedures is not optimized in U.S. practice.« less

  16. The Model Averaging for Dichotomous Response Benchmark Dose (MADr-BMD) Tool

    EPA Pesticide Factsheets

    Providing quantal response models, which are also used in the U.S. EPA benchmark dose software suite, and generates a model-averaged dose response model to generate benchmark dose and benchmark dose lower bound estimates.

  17. Performance of Multi-chaotic PSO on a shifted benchmark functions set

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

    Pluhacek, Michal; Senkerik, Roman; Zelinka, Ivan

    2015-03-10

    In this paper the performance of Multi-chaotic PSO algorithm is investigated using two shifted benchmark functions. The purpose of shifted benchmark functions is to simulate the time-variant real-world problems. The results of chaotic PSO are compared with canonical version of the algorithm. It is concluded that using the multi-chaotic approach can lead to better results in optimization of shifted functions.

  18. Competency based training in robotic surgery: benchmark scores for virtual reality robotic simulation.

    PubMed

    Raison, Nicholas; Ahmed, Kamran; Fossati, Nicola; Buffi, Nicolò; Mottrie, Alexandre; Dasgupta, Prokar; Van Der Poel, Henk

    2017-05-01

    To develop benchmark scores of competency for use within a competency based virtual reality (VR) robotic training curriculum. This longitudinal, observational study analysed results from nine European Association of Urology hands-on-training courses in VR simulation. In all, 223 participants ranging from novice to expert robotic surgeons completed 1565 exercises. Competency was set at 75% of the mean expert score. Benchmark scores for all general performance metrics generated by the simulator were calculated. Assessment exercises were selected by expert consensus and through learning-curve analysis. Three basic skill and two advanced skill exercises were identified. Benchmark scores based on expert performance offered viable targets for novice and intermediate trainees in robotic surgery. Novice participants met the competency standards for most basic skill exercises; however, advanced exercises were significantly more challenging. Intermediate participants performed better across the seven metrics but still did not achieve the benchmark standard in the more difficult exercises. Benchmark scores derived from expert performances offer relevant and challenging scores for trainees to achieve during VR simulation training. Objective feedback allows both participants and trainers to monitor educational progress and ensures that training remains effective. Furthermore, the well-defined goals set through benchmarking offer clear targets for trainees and enable training to move to a more efficient competency based curriculum. © 2016 The Authors BJU International © 2016 BJU International Published by John Wiley & Sons Ltd.

  19. Report from the First CERT-RMM Users Group Workshop Series

    DTIC Science & Technology

    2012-04-01

    deploy processes to support our programs – Benchmark our programs to determine current gaps – Complements current work in CMMI® and ISO 27001 19...benchmarking program performance through process analytics and Lean/Six Sigma activities to ensure Performance Excellence. • Provides ISO Standards...Office www.cmu.edu/ iso 29 Carnegie Mellon University • Est 1967 in Pittsburgh, PA • Global, private research university • Ranked 22nd • 15,000

  20. Unusually High Incidences of Staphylococcus aureus Infection within Studies of Ventilator Associated Pneumonia Prevention Using Topical Antibiotics: Benchmarking the Evidence Base

    PubMed Central

    2018-01-01

    Selective digestive decontamination (SDD, topical antibiotic regimens applied to the respiratory tract) appears effective for preventing ventilator associated pneumonia (VAP) in intensive care unit (ICU) patients. However, potential contextual effects of SDD on Staphylococcus aureus infections in the ICU remain unclear. The S. aureus ventilator associated pneumonia (S. aureus VAP), VAP overall and S. aureus bacteremia incidences within component (control and intervention) groups within 27 SDD studies were benchmarked against 115 observational groups. Component groups from 66 studies of various interventions other than SDD provided additional points of reference. In 27 SDD study control groups, the mean S. aureus VAP incidence is 9.6% (95% CI; 6.9–13.2) versus a benchmark derived from 115 observational groups being 4.8% (95% CI; 4.2–5.6). In nine SDD study control groups the mean S. aureus bacteremia incidence is 3.8% (95% CI; 2.1–5.7) versus a benchmark derived from 10 observational groups being 2.1% (95% CI; 1.1–4.1). The incidences of S. aureus VAP and S. aureus bacteremia within the control groups of SDD studies are each higher than literature derived benchmarks. Paradoxically, within the SDD intervention groups, the incidences of both S. aureus VAP and VAP overall are more similar to the benchmarks. PMID:29300363

  1. Benchmark dataset for undirected and Mixed Capacitated Arc Routing Problems under Time restrictions with Intermediate Facilities.

    PubMed

    Willemse, Elias J; Joubert, Johan W

    2016-09-01

    In this article we present benchmark datasets for the Mixed Capacitated Arc Routing Problem under Time restrictions with Intermediate Facilities (MCARPTIF). The problem is a generalisation of the Capacitated Arc Routing Problem (CARP), and closely represents waste collection routing. Four different test sets are presented, each consisting of multiple instance files, and which can be used to benchmark different solution approaches for the MCARPTIF. An in-depth description of the datasets can be found in "Constructive heuristics for the Mixed Capacity Arc Routing Problem under Time Restrictions with Intermediate Facilities" (Willemseand Joubert, 2016) [2] and "Splitting procedures for the Mixed Capacitated Arc Routing Problem under Time restrictions with Intermediate Facilities" (Willemseand Joubert, in press) [4]. The datasets are publicly available from "Library of benchmark test sets for variants of the Capacitated Arc Routing Problem under Time restrictions with Intermediate Facilities" (Willemse and Joubert, 2016) [3].

  2. [Benchmarking of university trauma centers in Germany. Research and teaching].

    PubMed

    Gebhard, F; Raschke, M; Ruchholtz, S; Meffert, R; Marzi, I; Pohlemann, T; Südkamp, N; Josten, C; Zwipp, H

    2011-07-01

    Benchmarking is a very popular business process and meanwhile is used in research as well. The aim of the present study is to elucidate key numbers of German university trauma departments regarding research and teaching. The data set is based upon the monthly reports given by the administration in each university. As a result the study shows that only well-known parameters such as fund-raising and impact factors can be used to benchmark university-based trauma centers. The German federal system does not allow a nationwide benchmarking.

  3. Neutron Reference Benchmark Field Specification: ACRR 44 Inch Lead-Boron (LB44) Bucket Environment (ACRR-LB44-CC-32-CL).

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

    Vega, Richard Manuel; Parma, Edward J.; Griffin, Patrick J.

    2015-07-01

    This report was put together to support the International Atomic Energy Agency (IAEA) REAL- 2016 activity to validate the dosimetry community’s ability to use a consistent set of activation data and to derive consistent spectral characterizations. The report captures details of integral measurements taken in the Annular Core Research Reactor (ACRR) central cavity with the 44 inch Lead-Boron (LB44) bucket, reference neutron benchmark field. The field is described and an “a priori” calculated neutron spectrum is reported, based on MCNP6 calculations, and a subject matter expert (SME) based covariance matrix is given for this “a priori” spectrum. The results ofmore » 31 integral dosimetry measurements in the neutron field are reported.« less

  4. Neutron Reference Benchmark Field Specifications: ACRR Polyethylene-Lead-Graphite (PLG) Bucket Environment (ACRR-PLG-CC-32-CL).

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

    Vega, Richard Manuel; Parm, Edward J.; Griffin, Patrick J.

    2015-07-01

    This report was put together to support the International Atomic Energy Agency (IAEA) REAL- 2016 activity to validate the dosimetry community’s ability to use a consistent set of activation data and to derive consistent spectral characterizations. The report captures details of integral measurements taken in the Annular Core Research Reactor (ACRR) central cavity with the Polyethylene-Lead-Graphite (PLG) bucket, reference neutron benchmark field. The field is described and an “a priori” calculated neutron spectrum is reported, based on MCNP6 calculations, and a subject matter expert (SME) based covariance matrix is given for this “a priori” spectrum. The results of 37 integralmore » dosimetry measurements in the neutron field are reported.« less

  5. Nuclear power plant digital system PRA pilot study with the dynamic flow-graph methodology

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

    Yau, M.; Motamed, M.; Guarro, S.

    2006-07-01

    Current Probabilistic Risk Assessment (PRA) methodology is well established in analyzing hardware and some of the key human interactions. However processes for analyzing the software functions of digital systems within a plant PRA framework, and accounting for the digital system contribution to the overall risk are not generally available nor are they well understood and established. A recent study reviewed a number of methodologies that have potential applicability to modeling and analyzing digital systems within a PRA framework. This study identified the Dynamic Flow-graph Methodology (DFM) and the Markov Methodology as the most promising tools. As a result of thismore » study, a task was defined under the framework of a collaborative agreement between the U.S. Nuclear Regulatory Commission (NRC) and the Ohio State Univ. (OSU). The objective of this task is to set up benchmark systems representative of digital systems used in nuclear power plants and to evaluate DFM and the Markov methodology with these benchmark systems. The first benchmark system is a typical Pressurized Water Reactor (PWR) Steam Generator (SG) Feedwater System (FWS) level control system based on an earlier ASCA work with the U.S. NRC 2, upgraded with modern control laws. ASCA, Inc. is currently under contract to OSU to apply DFM to this benchmark system. The goal is to investigate the feasibility of using DFM to analyze and quantify digital system risk, and to integrate the DFM analytical results back into the plant event tree/fault tree PRA model. (authors)« less

  6. Benchmarking Diagnostic Algorithms on an Electrical Power System Testbed

    NASA Technical Reports Server (NTRS)

    Kurtoglu, Tolga; Narasimhan, Sriram; Poll, Scott; Garcia, David; Wright, Stephanie

    2009-01-01

    Diagnostic algorithms (DAs) are key to enabling automated health management. These algorithms are designed to detect and isolate anomalies of either a component or the whole system based on observations received from sensors. In recent years a wide range of algorithms, both model-based and data-driven, have been developed to increase autonomy and improve system reliability and affordability. However, the lack of support to perform systematic benchmarking of these algorithms continues to create barriers for effective development and deployment of diagnostic technologies. In this paper, we present our efforts to benchmark a set of DAs on a common platform using a framework that was developed to evaluate and compare various performance metrics for diagnostic technologies. The diagnosed system is an electrical power system, namely the Advanced Diagnostics and Prognostics Testbed (ADAPT) developed and located at the NASA Ames Research Center. The paper presents the fundamentals of the benchmarking framework, the ADAPT system, description of faults and data sets, the metrics used for evaluation, and an in-depth analysis of benchmarking results obtained from testing ten diagnostic algorithms on the ADAPT electrical power system testbed.

  7. Benchmarking image fusion system design parameters

    NASA Astrophysics Data System (ADS)

    Howell, Christopher L.

    2013-06-01

    A clear and absolute method for discriminating between image fusion algorithm performances is presented. This method can effectively be used to assist in the design and modeling of image fusion systems. Specifically, it is postulated that quantifying human task performance using image fusion should be benchmarked to whether the fusion algorithm, at a minimum, retained the performance benefit achievable by each independent spectral band being fused. The established benchmark would then clearly represent the threshold that a fusion system should surpass to be considered beneficial to a particular task. A genetic algorithm is employed to characterize the fused system parameters using a Matlab® implementation of NVThermIP as the objective function. By setting the problem up as a mixed-integer constraint optimization problem, one can effectively look backwards through the image acquisition process: optimizing fused system parameters by minimizing the difference between modeled task difficulty measure and the benchmark task difficulty measure. The results of an identification perception experiment are presented, where human observers were asked to identify a standard set of military targets, and used to demonstrate the effectiveness of the benchmarking process.

  8. MoMaS reactive transport benchmark using PFLOTRAN

    NASA Astrophysics Data System (ADS)

    Park, H.

    2017-12-01

    MoMaS benchmark was developed to enhance numerical simulation capability for reactive transport modeling in porous media. The benchmark was published in late September of 2009; it is not taken from a real chemical system, but realistic and numerically challenging tests. PFLOTRAN is a state-of-art massively parallel subsurface flow and reactive transport code that is being used in multiple nuclear waste repository projects at Sandia National Laboratories including Waste Isolation Pilot Plant and Used Fuel Disposition. MoMaS benchmark has three independent tests with easy, medium, and hard chemical complexity. This paper demonstrates how PFLOTRAN is applied to this benchmark exercise and shows results of the easy benchmark test case which includes mixing of aqueous components and surface complexation. Surface complexations consist of monodentate and bidentate reactions which introduces difficulty in defining selectivity coefficient if the reaction applies to a bulk reference volume. The selectivity coefficient becomes porosity dependent for bidentate reaction in heterogeneous porous media. The benchmark is solved by PFLOTRAN with minimal modification to address the issue and unit conversions were made properly to suit PFLOTRAN.

  9. Promzea: a pipeline for discovery of co-regulatory motifs in maize and other plant species and its application to the anthocyanin and phlobaphene biosynthetic pathways and the Maize Development Atlas.

    PubMed

    Liseron-Monfils, Christophe; Lewis, Tim; Ashlock, Daniel; McNicholas, Paul D; Fauteux, François; Strömvik, Martina; Raizada, Manish N

    2013-03-15

    The discovery of genetic networks and cis-acting DNA motifs underlying their regulation is a major objective of transcriptome studies. The recent release of the maize genome (Zea mays L.) has facilitated in silico searches for regulatory motifs. Several algorithms exist to predict cis-acting elements, but none have been adapted for maize. A benchmark data set was used to evaluate the accuracy of three motif discovery programs: BioProspector, Weeder and MEME. Analysis showed that each motif discovery tool had limited accuracy and appeared to retrieve a distinct set of motifs. Therefore, using the benchmark, statistical filters were optimized to reduce the false discovery ratio, and then remaining motifs from all programs were combined to improve motif prediction. These principles were integrated into a user-friendly pipeline for motif discovery in maize called Promzea, available at http://www.promzea.org and on the Discovery Environment of the iPlant Collaborative website. Promzea was subsequently expanded to include rice and Arabidopsis. Within Promzea, a user enters cDNA sequences or gene IDs; corresponding upstream sequences are retrieved from the maize genome. Predicted motifs are filtered, combined and ranked. Promzea searches the chosen plant genome for genes containing each candidate motif, providing the user with the gene list and corresponding gene annotations. Promzea was validated in silico using a benchmark data set: the Promzea pipeline showed a 22% increase in nucleotide sensitivity compared to the best standalone program tool, Weeder, with equivalent nucleotide specificity. Promzea was also validated by its ability to retrieve the experimentally defined binding sites of transcription factors that regulate the maize anthocyanin and phlobaphene biosynthetic pathways. Promzea predicted additional promoter motifs, and genome-wide motif searches by Promzea identified 127 non-anthocyanin/phlobaphene genes that each contained all five predicted promoter motifs in their promoters, perhaps uncovering a broader co-regulated gene network. Promzea was also tested against tissue-specific microarray data from maize. An online tool customized for promoter motif discovery in plants has been generated called Promzea. Promzea was validated in silico by its ability to retrieve benchmark motifs and experimentally defined motifs and was tested using tissue-specific microarray data. Promzea predicted broader networks of gene regulation associated with the historic anthocyanin and phlobaphene biosynthetic pathways. Promzea is a new bioinformatics tool for understanding transcriptional gene regulation in maize and has been expanded to include rice and Arabidopsis.

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

    Cohen, J; Dossa, D; Gokhale, M

    Critical data science applications requiring frequent access to storage perform poorly on today's computing architectures. This project addresses efficient computation of data-intensive problems in national security and basic science by exploring, advancing, and applying a new form of computing called storage-intensive supercomputing (SISC). Our goal is to enable applications that simply cannot run on current systems, and, for a broad range of data-intensive problems, to deliver an order of magnitude improvement in price/performance over today's data-intensive architectures. This technical report documents much of the work done under LDRD 07-ERD-063 Storage Intensive Supercomputing during the period 05/07-09/07. The following chapters describe:more » (1) a new file I/O monitoring tool iotrace developed to capture the dynamic I/O profiles of Linux processes; (2) an out-of-core graph benchmark for level-set expansion of scale-free graphs; (3) an entity extraction benchmark consisting of a pipeline of eight components; and (4) an image resampling benchmark drawn from the SWarp program in the LSST data processing pipeline. The performance of the graph and entity extraction benchmarks was measured in three different scenarios: data sets residing on the NFS file server and accessed over the network; data sets stored on local disk; and data sets stored on the Fusion I/O parallel NAND Flash array. The image resampling benchmark compared performance of software-only to GPU-accelerated. In addition to the work reported here, an additional text processing application was developed that used an FPGA to accelerate n-gram profiling for language classification. The n-gram application will be presented at SC07 at the High Performance Reconfigurable Computing Technologies and Applications Workshop. The graph and entity extraction benchmarks were run on a Supermicro server housing the NAND Flash 40GB parallel disk array, the Fusion-io. The Fusion system specs are as follows: SuperMicro X7DBE Xeon Dual Socket Blackford Server Motherboard; 2 Intel Xeon Dual-Core 2.66 GHz processors; 1 GB DDR2 PC2-5300 RAM (2 x 512); 80GB Hard Drive (Seagate SATA II Barracuda). The Fusion board is presently capable of 4X in a PCIe slot. The image resampling benchmark was run on a dual Xeon workstation with NVIDIA graphics card (see Chapter 5 for full specification). An XtremeData Opteron+FPGA was used for the language classification application. We observed that these benchmarks are not uniformly I/O intensive. The only benchmark that showed greater that 50% of the time in I/O was the graph algorithm when it accessed data files over NFS. When local disk was used, the graph benchmark spent at most 40% of its time in I/O. The other benchmarks were CPU dominated. The image resampling benchmark and language classification showed order of magnitude speedup over software by using co-processor technology to offload the CPU-intensive kernels. Our experiments to date suggest that emerging hardware technologies offer significant benefit to boosting the performance of data-intensive algorithms. Using GPU and FPGA co-processors, we were able to improve performance by more than an order of magnitude on the benchmark algorithms, eliminating the processor bottleneck of CPU-bound tasks. Experiments with a prototype solid state nonvolative memory available today show 10X better throughput on random reads than disk, with a 2X speedup on a graph processing benchmark when compared to the use of local SATA disk.« less

  11. The challenge of benchmarking health systems: is ICT innovation capacity more systemic than organizational dependent?

    PubMed

    Lapão, Luís Velez

    2015-01-01

    The article by Catan et al. presents a benchmarking exercise comparing Israel and Portugal on the implementation of Information and Communication Technologies in the healthcare sector. Special attention was given to e-Health and m-Health. The authors collected information via a set of interviews with key stakeholders. They compared two different cultures and societies, which have reached slightly different implementation outcomes. Although the comparison is very enlightening, it is also challenging. Benchmarking exercises present a set of challenges, such as the choice of methodologies and the assessment of the impact on organizational strategy. Precise benchmarking methodology is a valid tool for eliciting information about alternatives for improving health systems. However, many beneficial interventions, which benchmark as effective, fail to translate into meaningful healthcare outcomes across contexts. There is a relationship between results and the innovational and competitive environments. Differences in healthcare governance and financing models are well known; but little is known about their impact on Information and Communication Technology implementation. The article by Catan et al. provides interesting clues about this issue. Public systems (such as those of Portugal, UK, Sweden, Spain, etc.) present specific advantages and disadvantages concerning Information and Communication Technology development and implementation. Meanwhile, private systems based fundamentally on insurance packages, (such as Israel, Germany, Netherlands or USA) present a different set of advantages and disadvantages - especially a more open context for innovation. Challenging issues from both the Portuguese and Israeli cases will be addressed. Clearly, more research is needed on both benchmarking methodologies and on ICT implementation strategies.

  12. Identification of competencies for patient education in physiotherapy using a Delphi approach.

    PubMed

    Forbes, Roma; Mandrusiak, Allison; Smith, Michelle; Russell, Trevor

    2018-06-01

    Patient education is a critical part of physiotherapy practice however an empirically derived set of competencies for its use does not exist. This study aimed to generate a set of competencies for patient education in physiotherapy using a consensus approach. A Delphi study with two rounds using a panel of expert physiotherapists within Australia was undertaken. In the first round, the panel of 12 specialist physiotherapists identified competencies required for patient education in the physiotherapy setting. Framework analysis was applied to develop a set of competencies that were assessed in the second round where ≥80% agreement of importance from the panel indicated consensus. Response rates of specialist physiotherapists agreeing to participate were 67% for the first round and 100% for the second round. Analysis following the first round produced 25 competencies. The second round resulted in agreement on a final set of 22 competencies. This study developed a concise list of competencies for patient education with a high level of expert agreement. By identifying the key competencies in this area, there is potential to benchmark patient education training and assessment of physiotherapists for improved educational and professional outcomes. Copyright © 2017 Chartered Society of Physiotherapy. Published by Elsevier Ltd. All rights reserved.

  13. Bin packing problem solution through a deterministic weighted finite automaton

    NASA Astrophysics Data System (ADS)

    Zavala-Díaz, J. C.; Pérez-Ortega, J.; Martínez-Rebollar, A.; Almanza-Ortega, N. N.; Hidalgo-Reyes, M.

    2016-06-01

    In this article the solution of Bin Packing problem of one dimension through a weighted finite automaton is presented. Construction of the automaton and its application to solve three different instances, one synthetic data and two benchmarks are presented: N1C1W1_A.BPP belonging to data set Set_1; and BPP13.BPP belonging to hard28. The optimal solution of synthetic data is obtained. In the first benchmark the solution obtained is one more container than the ideal number of containers and in the second benchmark the solution is two more containers than the ideal solution (approximately 2.5%). The runtime in all three cases was less than one second.

  14. GW100: Benchmarking G0W0 for Molecular Systems.

    PubMed

    van Setten, Michiel J; Caruso, Fabio; Sharifzadeh, Sahar; Ren, Xinguo; Scheffler, Matthias; Liu, Fang; Lischner, Johannes; Lin, Lin; Deslippe, Jack R; Louie, Steven G; Yang, Chao; Weigend, Florian; Neaton, Jeffrey B; Evers, Ferdinand; Rinke, Patrick

    2015-12-08

    We present the GW100 set. GW100 is a benchmark set of the ionization potentials and electron affinities of 100 molecules computed with the GW method using three independent GW codes and different GW methodologies. The quasi-particle energies of the highest-occupied molecular orbitals (HOMO) and lowest-unoccupied molecular orbitals (LUMO) are calculated for the GW100 set at the G0W0@PBE level using the software packages TURBOMOLE, FHI-aims, and BerkeleyGW. The use of these three codes allows for a quantitative comparison of the type of basis set (plane wave or local orbital) and handling of unoccupied states, the treatment of core and valence electrons (all electron or pseudopotentials), the treatment of the frequency dependence of the self-energy (full frequency or more approximate plasmon-pole models), and the algorithm for solving the quasi-particle equation. Primary results include reference values for future benchmarks, best practices for convergence within a particular approach, and average error bars for the most common approximations.

  15. Measuring Distribution Performance? Benchmarking Warrants Your Attention

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

    Ericson, Sean J; Alvarez, Paul

    Identifying, designing, and measuring performance metrics is critical to securing customer value, but can be a difficult task. This article examines the use of benchmarks based on publicly available performance data to set challenging, yet fair, metrics and targets.

  16. Performance Evaluation of Synthetic Benchmarks and Image Processing (IP) Kernels on Intel and PowerPC Processors

    DTIC Science & Technology

    2013-08-01

    2006 Linux Q1 2005 Pentium D (830) 3 2/2 2511 1148 3617 Windows Vista Q2 2005 Pentium D (830) 3 2/2 2938 1155 3556 Windows XP Q2 2005 PowerPC 970MP 2...1 3734 3439 1304 Cell Broadband Engine 3.2 1/1 0.207 2006 239 441 Pentium D (830) 3 2/2 2 3617 2511 1148 Pentium D (830) 3 2/2 2 3556 2938 1155

  17. Aeroelasticity Benchmark Assessment: Subsonic Fixed Wing Program

    NASA Technical Reports Server (NTRS)

    Florance, Jennifer P.; Chwalowski, Pawel; Wieseman, Carol D.

    2010-01-01

    The fundamental technical challenge in computational aeroelasticity is the accurate prediction of unsteady aerodynamic phenomena and the effect on the aeroelastic response of a vehicle. Currently, a benchmarking standard for use in validating the accuracy of computational aeroelasticity codes does not exist. Many aeroelastic data sets have been obtained in wind-tunnel and flight testing throughout the world; however, none have been globally presented or accepted as an ideal data set. There are numerous reasons for this. One reason is that often, such aeroelastic data sets focus on the aeroelastic phenomena alone (flutter, for example) and do not contain associated information such as unsteady pressures and time-correlated structural dynamic deflections. Other available data sets focus solely on the unsteady pressures and do not address the aeroelastic phenomena. Other discrepancies can include omission of relevant data, such as flutter frequency and / or the acquisition of only qualitative deflection data. In addition to these content deficiencies, all of the available data sets present both experimental and computational technical challenges. Experimental issues include facility influences, nonlinearities beyond those being modeled, and data processing. From the computational perspective, technical challenges include modeling geometric complexities, coupling between the flow and the structure, grid issues, and boundary conditions. The Aeroelasticity Benchmark Assessment task seeks to examine the existing potential experimental data sets and ultimately choose the one that is viewed as the most suitable for computational benchmarking. An initial computational evaluation of that configuration will then be performed using the Langley-developed computational fluid dynamics (CFD) software FUN3D1 as part of its code validation process. In addition to the benchmarking activity, this task also includes an examination of future research directions. Researchers within the Aeroelasticity Branch will examine other experimental efforts within the Subsonic Fixed Wing (SFW) program (such as testing of the NASA Common Research Model (CRM)) and other NASA programs and assess aeroelasticity issues and research topics.

  18. Toxicological benchmarks for potential contaminants of concern for effects on soil and litter invertebrates and heterotrophic process

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

    Will, M.E.; Suter, G.W. II

    1995-09-01

    An important step in ecological risk assessments is screening the chemicals occur-ring on a site for contaminants of potential concern. Screening may be accomplished by comparing reported ambient concentrations to a set of toxicological benchmarks. Multiple endpoints for assessing risks posed by soil-borne contaminants to organisms directly impacted by them have been established. This report presents benchmarks for soil invertebrates and microbial processes and addresses only chemicals found at United States Department of Energy (DOE) sites. No benchmarks for pesticides are presented. After discussing methods, this report presents the results of the literature review and benchmark derivation for toxicity tomore » earthworms (Sect. 3), heterotrophic microbes and their processes (Sect. 4), and other invertebrates (Sect. 5). The final sections compare the benchmarks to other criteria and background and draw conclusions concerning the utility of the benchmarks.« less

  19. Benchmarks for target tracking

    NASA Astrophysics Data System (ADS)

    Dunham, Darin T.; West, Philip D.

    2011-09-01

    The term benchmark originates from the chiseled horizontal marks that surveyors made, into which an angle-iron could be placed to bracket ("bench") a leveling rod, thus ensuring that the leveling rod can be repositioned in exactly the same place in the future. A benchmark in computer terms is the result of running a computer program, or a set of programs, in order to assess the relative performance of an object by running a number of standard tests and trials against it. This paper will discuss the history of simulation benchmarks that are being used by multiple branches of the military and agencies of the US government. These benchmarks range from missile defense applications to chemical biological situations. Typically, a benchmark is used with Monte Carlo runs in order to tease out how algorithms deal with variability and the range of possible inputs. We will also describe problems that can be solved by a benchmark.

  20. CyClus: a fast, comprehensive cylindrical interface approximation clustering/reranking method for rigid-body protein-protein docking decoys.

    PubMed

    Omori, Satoshi; Kitao, Akio

    2013-06-01

    We propose a fast clustering and reranking method, CyClus, for protein-protein docking decoys. This method enables comprehensive clustering of whole decoys generated by rigid-body docking using cylindrical approximation of the protein-proteininterface and hierarchical clustering procedures. We demonstrate the clustering and reranking of 54,000 decoy structures generated by ZDOCK for each complex within a few minutes. After parameter tuning for the test set in ZDOCK benchmark 2.0 with the ZDOCK and ZRANK scoring functions, blind tests for the incremental data in ZDOCK benchmark 3.0 and 4.0 were conducted. CyClus successfully generated smaller subsets of decoys containing near-native decoys. For example, the number of decoys required to create subsets containing near-native decoys with 80% probability was reduced from 22% to 50% of the number required in the original ZDOCK. Although specific ZDOCK and ZRANK results were demonstrated, the CyClus algorithm was designed to be more general and can be applied to a wide range of decoys and scoring functions by adjusting just two parameters, p and T. CyClus results were also compared to those from ClusPro. Copyright © 2013 Wiley Periodicals, Inc.

  1. A Standard-Setting Study to Establish College Success Criteria to Inform the SAT® College and Career Readiness Benchmark. Research Report 2012-3

    ERIC Educational Resources Information Center

    Kobrin, Jennifer L.; Patterson, Brian F.; Wiley, Andrew; Mattern, Krista D.

    2012-01-01

    In 2011, the College Board released its SAT college and career readiness benchmark, which represents the level of academic preparedness associated with a high likelihood of college success and completion. The goal of this study, which was conducted in 2008, was to establish college success criteria to inform the development of the benchmark. The…

  2. Benchmark and Framework for Encouraging Research on Multi-Threaded Testing Tools

    NASA Technical Reports Server (NTRS)

    Havelund, Klaus; Stoller, Scott D.; Ur, Shmuel

    2003-01-01

    A problem that has been getting prominence in testing is that of looking for intermittent bugs. Multi-threaded code is becoming very common, mostly on the server side. As there is no silver bullet solution, research focuses on a variety of partial solutions. In this paper (invited by PADTAD 2003) we outline a proposed project to facilitate research. The project goals are as follows. The first goal is to create a benchmark that can be used to evaluate different solutions. The benchmark, apart from containing programs with documented bugs, will include other artifacts, such as traces, that are useful for evaluating some of the technologies. The second goal is to create a set of tools with open API s that can be used to check ideas without building a large system. For example an instrumentor will be available, that could be used to test temporal noise making heuristics. The third goal is to create a focus for the research in this area around which a community of people who try to solve similar problems with different techniques, could congregate.

  3. Benchmark Design and Installation: A synthesis of Existing Information.

    DTIC Science & Technology

    1987-07-01

    casings (15 ft deep) drilled to rock and filled with concrete. Disks - 1 . Set on vertically stable structures (e.g., dam monoliths). 2 . Set in rock ...Structural movement survey 1 . Rock outcrops (first choice) -- chiseled square on high point. 2 . Massive concrete structure (second choice) - cut square on...bolt marker (type 2 ). 58,. % %--"% %I 1 ± 4 -I,.- Table Cl. Recomnded benchmarks. Type of condition or terrain Type of markert Bedrock, rock outcrops

  4. Arithmetic Data Cube as a Data Intensive Benchmark

    NASA Technical Reports Server (NTRS)

    Frumkin, Michael A.; Shabano, Leonid

    2003-01-01

    Data movement across computational grids and across memory hierarchy of individual grid machines is known to be a limiting factor for application involving large data sets. In this paper we introduce the Data Cube Operator on an Arithmetic Data Set which we call Arithmetic Data Cube (ADC). We propose to use the ADC to benchmark grid capabilities to handle large distributed data sets. The ADC stresses all levels of grid memory by producing 2d views of an Arithmetic Data Set of d-tuples described by a small number of parameters. We control data intensity of the ADC by controlling the sizes of the views through choice of the tuple parameters.

  5. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

    NASA Astrophysics Data System (ADS)

    Hill, J. Grant; Peterson, Kirk A.

    2017-12-01

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  6. A Multicenter Collaborative to Improve Care of Community Acquired Pneumonia in Hospitalized Children.

    PubMed

    Parikh, Kavita; Biondi, Eric; Nazif, Joanne; Wasif, Faiza; Williams, Derek J; Nichols, Elizabeth; Ralston, Shawn

    2017-03-01

    The Value in Inpatient Pediatrics Network sponsored the Improving Care in Community Acquired Pneumonia collaborative with the goal of increasing evidence-based management of children hospitalized with community acquired pneumonia (CAP). Project aims included: increasing use of narrow-spectrum antibiotics, decreasing use of macrolides, and decreasing concurrent treatment of pneumonia and asthma. Data were collected through chart review across emergency department (ED), inpatient, and discharge settings. Sites reviewed up to 20 charts in each of 6 3-month cycles. Analysis of means with 3-σ control limits was the primary method of assessment for change. The expert panel developed project measures, goals, and interventions. A change package of evidence-based tools to promote judicious use of antibiotics and raise awareness of asthma and pneumonia codiagnosis was disseminated through webinars. Peer coaching and periodic benchmarking were used to motivate change. Fifty-three hospitals enrolled and 48 (91%) completed the 1-year project (July 2014-June 2015). A total of 3802 charts were reviewed for the project; 1842 during baseline cycles and 1960 during postintervention cycles. The median before and after use of narrow-spectrum antibiotics in the collaborative increased by 67% in the ED, 43% in the inpatient setting, and 25% at discharge. Median before and after use of macrolides decreased by 22% in the ED and 27% in the inpatient setting. A decrease in asthma and CAP codiagnosis was noted, but the change was not sustained. Low-cost strategies, including collaborative sharing, peer benchmarking, and coaching, increased judicious use of antibiotics in a diverse range of hospitals for pediatric CAP. Copyright © 2017 by the American Academy of Pediatrics.

  7. International benchmarking of specialty hospitals. A series of case studies on comprehensive cancer centres.

    PubMed

    van Lent, Wineke A M; de Beer, Relinde D; van Harten, Wim H

    2010-08-31

    Benchmarking is one of the methods used in business that is applied to hospitals to improve the management of their operations. International comparison between hospitals can explain performance differences. As there is a trend towards specialization of hospitals, this study examines the benchmarking process and the success factors of benchmarking in international specialized cancer centres. Three independent international benchmarking studies on operations management in cancer centres were conducted. The first study included three comprehensive cancer centres (CCC), three chemotherapy day units (CDU) were involved in the second study and four radiotherapy departments were included in the final study. Per multiple case study a research protocol was used to structure the benchmarking process. After reviewing the multiple case studies, the resulting description was used to study the research objectives. We adapted and evaluated existing benchmarking processes through formalizing stakeholder involvement and verifying the comparability of the partners. We also devised a framework to structure the indicators to produce a coherent indicator set and better improvement suggestions. Evaluating the feasibility of benchmarking as a tool to improve hospital processes led to mixed results. Case study 1 resulted in general recommendations for the organizations involved. In case study 2, the combination of benchmarking and lean management led in one CDU to a 24% increase in bed utilization and a 12% increase in productivity. Three radiotherapy departments of case study 3, were considering implementing the recommendations.Additionally, success factors, such as a well-defined and small project scope, partner selection based on clear criteria, stakeholder involvement, simple and well-structured indicators, analysis of both the process and its results and, adapt the identified better working methods to the own setting, were found. The improved benchmarking process and the success factors can produce relevant input to improve the operations management of specialty hospitals.

  8. International benchmarking of specialty hospitals. A series of case studies on comprehensive cancer centres

    PubMed Central

    2010-01-01

    Background Benchmarking is one of the methods used in business that is applied to hospitals to improve the management of their operations. International comparison between hospitals can explain performance differences. As there is a trend towards specialization of hospitals, this study examines the benchmarking process and the success factors of benchmarking in international specialized cancer centres. Methods Three independent international benchmarking studies on operations management in cancer centres were conducted. The first study included three comprehensive cancer centres (CCC), three chemotherapy day units (CDU) were involved in the second study and four radiotherapy departments were included in the final study. Per multiple case study a research protocol was used to structure the benchmarking process. After reviewing the multiple case studies, the resulting description was used to study the research objectives. Results We adapted and evaluated existing benchmarking processes through formalizing stakeholder involvement and verifying the comparability of the partners. We also devised a framework to structure the indicators to produce a coherent indicator set and better improvement suggestions. Evaluating the feasibility of benchmarking as a tool to improve hospital processes led to mixed results. Case study 1 resulted in general recommendations for the organizations involved. In case study 2, the combination of benchmarking and lean management led in one CDU to a 24% increase in bed utilization and a 12% increase in productivity. Three radiotherapy departments of case study 3, were considering implementing the recommendations. Additionally, success factors, such as a well-defined and small project scope, partner selection based on clear criteria, stakeholder involvement, simple and well-structured indicators, analysis of both the process and its results and, adapt the identified better working methods to the own setting, were found. Conclusions The improved benchmarking process and the success factors can produce relevant input to improve the operations management of specialty hospitals. PMID:20807408

  9. Performance of Landslide-HySEA tsunami model for NTHMP benchmarking validation process

    NASA Astrophysics Data System (ADS)

    Macias, Jorge

    2017-04-01

    In its FY2009 Strategic Plan, the NTHMP required that all numerical tsunami inundation models be verified as accurate and consistent through a model benchmarking process. This was completed in 2011, but only for seismic tsunami sources and in a limited manner for idealized solid underwater landslides. Recent work by various NTHMP states, however, has shown that landslide tsunami hazard may be dominant along significant parts of the US coastline, as compared to hazards from other tsunamigenic sources. To perform the above-mentioned validation process, a set of candidate benchmarks were proposed. These benchmarks are based on a subset of available laboratory date sets for solid slide experiments and deformable slide experiments, and include both submarine and subaerial slides. A benchmark based on a historic field event (Valdez, AK, 1964) close the list of proposed benchmarks. The Landslide-HySEA model has participated in the workshop that was organized at Texas A&M University - Galveston, on January 9-11, 2017. The aim of this presentation is to show some of the numerical results obtained for Landslide-HySEA in the framework of this benchmarking validation/verification effort. Acknowledgements. This research has been partially supported by the Junta de Andalucía research project TESELA (P11-RNM7069), the Spanish Government Research project SIMURISK (MTM2015-70490-C02-01-R) and Universidad de Málaga, Campus de Excelencia Internacional Andalucía Tech. The GPU computations were performed at the Unit of Numerical Methods (University of Malaga).

  10. Toxicological Benchmarks for Screening Potential Contaminants of Concern for Effects on Soil and Litter Invertebrates and Heterotrophic Process

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

    Will, M.E.

    1994-01-01

    This report presents a standard method for deriving benchmarks for the purpose of ''contaminant screening,'' performed by comparing measured ambient concentrations of chemicals. The work was performed under Work Breakdown Structure 1.4.12.2.3.04.07.02 (Activity Data Sheet 8304). In addition, this report presents sets of data concerning the effects of chemicals in soil on invertebrates and soil microbial processes, benchmarks for chemicals potentially associated with United States Department of Energy sites, and literature describing the experiments from which data were drawn for benchmark derivation.

  11. How to benchmark methods for structure-based virtual screening of large compound libraries.

    PubMed

    Christofferson, Andrew J; Huang, Niu

    2012-01-01

    Structure-based virtual screening is a useful computational technique for ligand discovery. To systematically evaluate different docking approaches, it is important to have a consistent benchmarking protocol that is both relevant and unbiased. Here, we describe the designing of a benchmarking data set for docking screen assessment, a standard docking screening process, and the analysis and presentation of the enrichment of annotated ligands among a background decoy database.

  12. Representative Benchmark Suites for Barrier Heights of Diverse Reaction Types and Assessment of Electronic Structure Methods for Thermochemical Kinetics

    DTIC Science & Technology

    2006-12-19

    10,22,49 PBE1KCIS,17–19,23,50 PBE1PBE,23 PW6B95,51 PWB6K,51 TPSS1KCIS,17–21,52 TPSSh,20,21 X3LYP ,9,10,26,53 and τHCTHh34), and single-level WFT...3.61 10 PBE1KCIS/MG3 −8.56 8.56 −1.77 1.88 −0.86 2.64 4.36 12 X3LYP /MG3S −8.48 8.48 −2.89 2.90 −1.43 2.06 4.48 11 B3LYP/MG3S −8.49 8.49 −3.25 3.25

  13. Open Rotor - Analysis of Diagnostic Data

    NASA Technical Reports Server (NTRS)

    Envia, Edmane

    2011-01-01

    NASA is researching open rotor propulsion as part of its technology research and development plan for addressing the subsonic transport aircraft noise, emission and fuel burn goals. The low-speed wind tunnel test for investigating the aerodynamic and acoustic performance of a benchmark blade set at the approach and takeoff conditions has recently concluded. A high-speed wind tunnel diagnostic test campaign has begun to investigate the performance of this benchmark open rotor blade set at the cruise condition. Databases from both speed regimes will comprise a comprehensive collection of benchmark open rotor data for use in assessing/validating aerodynamic and noise prediction tools (component & system level) as well as providing insights into the physics of open rotors to help guide the development of quieter open rotors.

  14. Experimental Data from the Benchmark SuperCritical Wing Wind Tunnel Test on an Oscillating Turntable

    NASA Technical Reports Server (NTRS)

    Heeg, Jennifer; Piatak, David J.

    2013-01-01

    The Benchmark SuperCritical Wing (BSCW) wind tunnel model served as a semi-blind testcase for the 2012 AIAA Aeroelastic Prediction Workshop (AePW). The BSCW was chosen as a testcase due to its geometric simplicity and flow physics complexity. The data sets examined include unforced system information and forced pitching oscillations. The aerodynamic challenges presented by this AePW testcase include a strong shock that was observed to be unsteady for even the unforced system cases, shock-induced separation and trailing edge separation. The current paper quantifies these characteristics at the AePW test condition and at a suggested benchmarking test condition. General characteristics of the model's behavior are examined for the entire available data set.

  15. A publicly available benchmark for biomedical dataset retrieval: the reference standard for the 2016 bioCADDIE dataset retrieval challenge

    PubMed Central

    Gururaj, Anupama E.; Chen, Xiaoling; Pournejati, Saeid; Alter, George; Hersh, William R.; Demner-Fushman, Dina; Ohno-Machado, Lucila

    2017-01-01

    Abstract The rapid proliferation of publicly available biomedical datasets has provided abundant resources that are potentially of value as a means to reproduce prior experiments, and to generate and explore novel hypotheses. However, there are a number of barriers to the re-use of such datasets, which are distributed across a broad array of dataset repositories, focusing on different data types and indexed using different terminologies. New methods are needed to enable biomedical researchers to locate datasets of interest within this rapidly expanding information ecosystem, and new resources are needed for the formal evaluation of these methods as they emerge. In this paper, we describe the design and generation of a benchmark for information retrieval of biomedical datasets, which was developed and used for the 2016 bioCADDIE Dataset Retrieval Challenge. In the tradition of the seminal Cranfield experiments, and as exemplified by the Text Retrieval Conference (TREC), this benchmark includes a corpus (biomedical datasets), a set of queries, and relevance judgments relating these queries to elements of the corpus. This paper describes the process through which each of these elements was derived, with a focus on those aspects that distinguish this benchmark from typical information retrieval reference sets. Specifically, we discuss the origin of our queries in the context of a larger collaborative effort, the biomedical and healthCAre Data Discovery Index Ecosystem (bioCADDIE) consortium, and the distinguishing features of biomedical dataset retrieval as a task. The resulting benchmark set has been made publicly available to advance research in the area of biomedical dataset retrieval. Database URL: https://biocaddie.org/benchmark-data PMID:29220453

  16. PMLB: a large benchmark suite for machine learning evaluation and comparison.

    PubMed

    Olson, Randal S; La Cava, William; Orzechowski, Patryk; Urbanowicz, Ryan J; Moore, Jason H

    2017-01-01

    The selection, development, or comparison of machine learning methods in data mining can be a difficult task based on the target problem and goals of a particular study. Numerous publicly available real-world and simulated benchmark datasets have emerged from different sources, but their organization and adoption as standards have been inconsistent. As such, selecting and curating specific benchmarks remains an unnecessary burden on machine learning practitioners and data scientists. The present study introduces an accessible, curated, and developing public benchmark resource to facilitate identification of the strengths and weaknesses of different machine learning methodologies. We compare meta-features among the current set of benchmark datasets in this resource to characterize the diversity of available data. Finally, we apply a number of established machine learning methods to the entire benchmark suite and analyze how datasets and algorithms cluster in terms of performance. From this study, we find that existing benchmarks lack the diversity to properly benchmark machine learning algorithms, and there are several gaps in benchmarking problems that still need to be considered. This work represents another important step towards understanding the limitations of popular benchmarking suites and developing a resource that connects existing benchmarking standards to more diverse and efficient standards in the future.

  17. Benchmarking of relative permeability

    NASA Astrophysics Data System (ADS)

    DiCarlo, D. A.

    2017-12-01

    Relative permeability is the key relation in terms of multi-phase flow through porous media. There are hundreds of published relative permeability curves for various media, some classic (Oak 90 and 91), some contradictory. This can lead to a confusing situation if one is trying to benchmark simulation results to "experimental data". Coming from the experimental side, I have found that modelers have too much trust in relative permeability data sets. In this talk, I will discuss reasons for discrepancies within and between data sets, and give guidance on which portions of the data sets are most solid in terms of matching through models.

  18. S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures

    PubMed Central

    2011-01-01

    With numerous new quantum chemistry methods being developed in recent years and the promise of even more new methods to be developed in the near future, it is clearly critical that highly accurate, well-balanced, reference data for many different atomic and molecular properties be available for the parametrization and validation of these methods. One area of research that is of particular importance in many areas of chemistry, biology, and material science is the study of noncovalent interactions. Because these interactions are often strongly influenced by correlation effects, it is necessary to use computationally expensive high-order wave function methods to describe them accurately. Here, we present a large new database of interaction energies calculated using an accurate CCSD(T)/CBS scheme. Data are presented for 66 molecular complexes, at their reference equilibrium geometries and at 8 points systematically exploring their dissociation curves; in total, the database contains 594 points: 66 at equilibrium geometries, and 528 in dissociation curves. The data set is designed to cover the most common types of noncovalent interactions in biomolecules, while keeping a balanced representation of dispersion and electrostatic contributions. The data set is therefore well suited for testing and development of methods applicable to bioorganic systems. In addition to the benchmark CCSD(T) results, we also provide decompositions of the interaction energies by means of DFT-SAPT calculations. The data set was used to test several correlated QM methods, including those parametrized specifically for noncovalent interactions. Among these, the SCS-MI-CCSD method outperforms all other tested methods, with a root-mean-square error of 0.08 kcal/mol for the S66 data set. PMID:21836824

  19. EEG analysis of seizure patterns using visibility graphs for detection of generalized seizures.

    PubMed

    Wang, Lei; Long, Xi; Arends, Johan B A M; Aarts, Ronald M

    2017-10-01

    The traditional EEG features in the time and frequency domain show limited seizure detection performance in the epileptic population with intellectual disability (ID). In addition, the influence of EEG seizure patterns on detection performance was less studied. A single-channel EEG signal can be mapped into visibility graphs (VGS), including basic visibility graph (VG), horizontal VG (HVG), and difference VG (DVG). These graphs were used to characterize different EEG seizure patterns. To demonstrate its effectiveness in identifying EEG seizure patterns and detecting generalized seizures, EEG recordings of 615h on one EEG channel from 29 epileptic patients with ID were analyzed. A novel feature set with discriminative power for seizure detection was obtained by using the VGS method. The degree distributions (DDs) of DVG can clearly distinguish EEG of each seizure pattern. The degree entropy and power-law degree power in DVG were proposed here for the first time, and they show significant difference between seizure and non-seizure EEG. The connecting structure measured by HVG can better distinguish seizure EEG from background than those by VG and DVG. A traditional EEG feature set based on frequency analysis was used here as a benchmark feature set. With a support vector machine (SVM) classifier, the seizure detection performance of the benchmark feature set (sensitivity of 24%, FD t /h of 1.8s) can be improved by combining our proposed VGS features extracted from one EEG channel (sensitivity of 38%, FD t /h of 1.4s). The proposed VGS-based features can help improve seizure detection for ID patients. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. 7 CFR 245.12 - State agencies and direct certification requirements.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... NUTRITION SERVICE, DEPARTMENT OF AGRICULTURE CHILD NUTRITION PROGRAMS DETERMINING ELIGIBILITY FOR FREE AND... performance benchmarks set forth in paragraph (b) of this section for directly certifying children who are.... State agencies must meet performance benchmarks for directly certifying for free school meals children...

  1. BioPreDyn-bench: a suite of benchmark problems for dynamic modelling in systems biology.

    PubMed

    Villaverde, Alejandro F; Henriques, David; Smallbone, Kieran; Bongard, Sophia; Schmid, Joachim; Cicin-Sain, Damjan; Crombach, Anton; Saez-Rodriguez, Julio; Mauch, Klaus; Balsa-Canto, Eva; Mendes, Pedro; Jaeger, Johannes; Banga, Julio R

    2015-02-20

    Dynamic modelling is one of the cornerstones of systems biology. Many research efforts are currently being invested in the development and exploitation of large-scale kinetic models. The associated problems of parameter estimation (model calibration) and optimal experimental design are particularly challenging. The community has already developed many methods and software packages which aim to facilitate these tasks. However, there is a lack of suitable benchmark problems which allow a fair and systematic evaluation and comparison of these contributions. Here we present BioPreDyn-bench, a set of challenging parameter estimation problems which aspire to serve as reference test cases in this area. This set comprises six problems including medium and large-scale kinetic models of the bacterium E. coli, baker's yeast S. cerevisiae, the vinegar fly D. melanogaster, Chinese Hamster Ovary cells, and a generic signal transduction network. The level of description includes metabolism, transcription, signal transduction, and development. For each problem we provide (i) a basic description and formulation, (ii) implementations ready-to-run in several formats, (iii) computational results obtained with specific solvers, (iv) a basic analysis and interpretation. This suite of benchmark problems can be readily used to evaluate and compare parameter estimation methods. Further, it can also be used to build test problems for sensitivity and identifiability analysis, model reduction and optimal experimental design methods. The suite, including codes and documentation, can be freely downloaded from the BioPreDyn-bench website, https://sites.google.com/site/biopredynbenchmarks/ .

  2. The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparison.

    PubMed

    Verstraelen, Toon; Van Speybroeck, Veronique; Waroquier, Michel

    2009-07-28

    An extensive benchmark of the electronegativity equalization method (EEM) and the split charge equilibration (SQE) model on a very diverse set of organic molecules is presented. These models efficiently compute atomic partial charges and are used in the development of polarizable force fields. The predicted partial charges that depend on empirical parameters are calibrated to reproduce results from quantum mechanical calculations. Recently, SQE is presented as an extension of the EEM to obtain the correct size dependence of the molecular polarizability. In this work, 12 parametrization protocols are applied to each model and the optimal parameters are benchmarked systematically. The training data for the empirical parameters comprise of MP2/Aug-CC-pVDZ calculations on 500 organic molecules containing the elements H, C, N, O, F, S, Cl, and Br. These molecules have been selected by an ingenious and autonomous protocol from an initial set of almost 500,000 small organic molecules. It is clear that the SQE model outperforms the EEM in all benchmark assessments. When using Hirshfeld-I charges for the calibration, the SQE model optimally reproduces the molecular electrostatic potential from the ab initio calculations. Applications on chain molecules, i.e., alkanes, alkenes, and alpha alanine helices, confirm that the EEM gives rise to a divergent behavior for the polarizability, while the SQE model shows the correct trends. We conclude that the SQE model is an essential component of a polarizable force field, showing several advantages over the original EEM.

  3. Benchmarking U.S. Small Wind Costs with the Distributed Wind Taxonomy

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

    Orrell, Alice C.; Poehlman, Eric A.

    The objective of this report is to benchmark costs for small wind projects installed in the United States using a distributed wind taxonomy. Consequently, this report is a starting point to help expand the U.S. distributed wind market by informing potential areas for small wind cost-reduction opportunities and providing a benchmark to track future small wind cost-reduction progress.

  4. Benchmarking: contexts and details matter.

    PubMed

    Zheng, Siyuan

    2017-07-05

    Benchmarking is an essential step in the development of computational tools. We take this opportunity to pitch in our opinions on tool benchmarking, in light of two correspondence articles published in Genome Biology.Please see related Li et al. and Newman et al. correspondence articles: www.dx.doi.org/10.1186/s13059-017-1256-5 and www.dx.doi.org/10.1186/s13059-017-1257-4.

  5. Chemical mixtures in untreated water from public-supply wells in the U.S. — Occurrence, composition, and potential toxicity

    USGS Publications Warehouse

    Toccalino, Patricia L.; Norman, Julia E.; Scott, Jonathon C.

    2012-01-01

    Chemical mixtures are prevalent in groundwater used for public water supply, but little is known about their potential health effects. As part of a large-scale ambient groundwater study, we evaluated chemical mixtures across multiple chemical classes, and included more chemical contaminants than in previous studies of mixtures in public-supply wells. We (1) assessed the occurrence of chemical mixtures in untreated source-water samples from public-supply wells, (2) determined the composition of the most frequently occurring mixtures, and (3) characterized the potential toxicity of mixtures using a new screening approach. The U.S. Geological Survey collected one untreated water sample from each of 383 public wells distributed across 35 states, and analyzed the samples for as many as 91 chemical contaminants. Concentrations of mixture components were compared to individual human-health benchmarks; the potential toxicity of mixtures was characterized by addition of benchmark-normalized component concentrations. Most samples (84%) contained mixtures of two or more contaminants, each at concentrations greater than one-tenth of individual benchmarks. The chemical mixtures that most frequently occurred and had the greatest potential toxicity primarily were composed of trace elements (including arsenic, strontium, or uranium), radon, or nitrate. Herbicides, disinfection by-products, and solvents were the most common organic contaminants in mixtures. The sum of benchmark-normalized concentrations was greater than 1 for 58% of samples, suggesting that there could be potential for mixtures toxicity in more than half of the public-well samples. Our findings can be used to help set priorities for groundwater monitoring and suggest future research directions for drinking-water treatment studies and for toxicity assessments of chemical mixtures in water resources.

  6. Accumulo/Hadoop, MongoDB, and Elasticsearch Performance for Semi Structured Intrusion Detection (IDS) Data

    DTIC Science & Technology

    2016-11-01

    iii Contents List of Figures v 1. Introduction 1 2. Background 1 3. Yahoo ! Cloud Serving Benchmark (YCSB) 2 3.1 Data Loading and Performance...transactional system. 3. Yahoo ! Cloud Serving Benchmark (YCSB) 3.1 Data Loading and Performance Testing Framework When originally setting out to perform the...that referred to a data loading and performance testing framework, Yahoo ! Cloud Serving Benchmark (YCSB).12 This framework is freely available and

  7. Benchmarking Ada tasking on tightly coupled multiprocessor architectures

    NASA Technical Reports Server (NTRS)

    Collard, Philippe; Goforth, Andre; Marquardt, Matthew

    1989-01-01

    The development of benchmarks and performance measures for parallel Ada tasking is reported with emphasis on the macroscopic behavior of the benchmark across a set of load parameters. The application chosen for the study was the NASREM model for telerobot control, relevant to many NASA missions. The results of the study demonstrate the potential of parallel Ada in accomplishing the task of developing a control system for a system such as the Flight Telerobotic Servicer using the NASREM framework.

  8. Can data-driven benchmarks be used to set the goals of healthy people 2010?

    PubMed Central

    Allison, J; Kiefe, C I; Weissman, N W

    1999-01-01

    OBJECTIVES: Expert panels determined the public health goals of Healthy People 2000 subjectively. The present study examined whether data-driven benchmarks provide a better alternative. METHODS: We developed the "pared-mean" method to define from data the best achievable health care practices. We calculated the pared-mean benchmark for screening mammography from the 1994 National Health Interview Survey, using the metropolitan statistical area as the "provider" unit. Beginning with the best-performing provider and adding providers in descending sequence, we established the minimum provider subset that included at least 10% of all women surveyed on this question. The pared-mean benchmark is then the proportion of women in this subset who received mammography. RESULTS: The pared-mean benchmark for screening mammography was 71%, compared with the Healthy People 2000 goal of 60%. CONCLUSIONS: For Healthy People 2010, benchmarks derived from data reflecting the best available care provide viable alternatives to consensus-derived targets. We are currently pursuing additional refinements to the data-driven pared-mean benchmark approach. PMID:9987466

  9. Surflex-Dock: Docking benchmarks and real-world application

    NASA Astrophysics Data System (ADS)

    Spitzer, Russell; Jain, Ajay N.

    2012-06-01

    Benchmarks for molecular docking have historically focused on re-docking the cognate ligand of a well-determined protein-ligand complex to measure geometric pose prediction accuracy, and measurement of virtual screening performance has been focused on increasingly large and diverse sets of target protein structures, cognate ligands, and various types of decoy sets. Here, pose prediction is reported on the Astex Diverse set of 85 protein ligand complexes, and virtual screening performance is reported on the DUD set of 40 protein targets. In both cases, prepared structures of targets and ligands were provided by symposium organizers. The re-prepared data sets yielded results not significantly different than previous reports of Surflex-Dock on the two benchmarks. Minor changes to protein coordinates resulting from complex pre-optimization had large effects on observed performance, highlighting the limitations of cognate ligand re-docking for pose prediction assessment. Docking protocols developed for cross-docking, which address protein flexibility and produce discrete families of predicted poses, produced substantially better performance for pose prediction. Performance on virtual screening performance was shown to benefit by employing and combining multiple screening methods: docking, 2D molecular similarity, and 3D molecular similarity. In addition, use of multiple protein conformations significantly improved screening enrichment.

  10. Toxicological benchmarks for screening potential contaminants of concern for effects on terrestrial plants: 1994 revision

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

    Will, M.E.; Suter, G.W. II

    1994-09-01

    One of the initial stages in ecological risk assessment for hazardous waste sites is screening contaminants to determine which of them are worthy of further consideration as contaminants of potential concern. This process is termed contaminant screening. It is performed by comparing measured ambient concentrations of chemicals to benchmark concentrations. Currently, no standard benchmark concentrations exist for assessing contaminants in soil with respect to their toxicity to plants. This report presents a standard method for deriving benchmarks for this purpose (phytotoxicity benchmarks), a set of data concerning effects of chemicals in soil or soil solution on plants, and a setmore » of phytotoxicity benchmarks for 38 chemicals potentially associated with United States Department of Energy (DOE) sites. In addition, background information on the phytotoxicity and occurrence of the chemicals in soils is presented, and literature describing the experiments from which data were drawn for benchmark derivation is reviewed. Chemicals that are found in soil at concentrations exceeding both the phytotoxicity benchmark and the background concentration for the soil type should be considered contaminants of potential concern.« less

  11. Toxicological Benchmarks for Screening Potential Contaminants of Concern for Effects on Terrestrial Plants

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

    Suter, G.W. II

    1993-01-01

    One of the initial stages in ecological risk assessment for hazardous waste sites is screening contaminants to determine which of them are worthy of further consideration as contaminants of potential concern. This process is termed contaminant screening. It is performed by comparing measured ambient concentrations of chemicals to benchmark concentrations. Currently, no standard benchmark concentrations exist for assessing contaminants in soil with respect to their toxicity to plants. This report presents a standard method for deriving benchmarks for this purpose (phytotoxicity benchmarks), a set of data concerning effects of chemicals in soil or soil solution on plants, and a setmore » of phytotoxicity benchmarks for 38 chemicals potentially associated with United States Department of Energy (DOE) sites. In addition, background information on the phytotoxicity and occurrence of the chemicals in soils is presented, and literature describing the experiments from which data were drawn for benchmark derivation is reviewed. Chemicals that are found in soil at concentrations exceeding both the phytotoxicity benchmark and the background concentration for the soil type should be considered contaminants of potential concern.« less

  12. 75 FR 68606 - Notice of Submission for OMB Review

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-08

    ... provides data for internationally benchmarking U.S. performance in mathematics and science at the fourth... years in more than 50 countries and provides assessment data for internationally benchmarking U.S...

  13. Computational Prediction of miRNA Genes from Small RNA Sequencing Data

    PubMed Central

    Kang, Wenjing; Friedländer, Marc R.

    2015-01-01

    Next-generation sequencing now for the first time allows researchers to gage the depth and variation of entire transcriptomes. However, now as rare transcripts can be detected that are present in cells at single copies, more advanced computational tools are needed to accurately annotate and profile them. microRNAs (miRNAs) are 22 nucleotide small RNAs (sRNAs) that post-transcriptionally reduce the output of protein coding genes. They have established roles in numerous biological processes, including cancers and other diseases. During miRNA biogenesis, the sRNAs are sequentially cleaved from precursor molecules that have a characteristic hairpin RNA structure. The vast majority of new miRNA genes that are discovered are mined from small RNA sequencing (sRNA-seq), which can detect more than a billion RNAs in a single run. However, given that many of the detected RNAs are degradation products from all types of transcripts, the accurate identification of miRNAs remain a non-trivial computational problem. Here, we review the tools available to predict animal miRNAs from sRNA sequencing data. We present tools for generalist and specialist use cases, including prediction from massively pooled data or in species without reference genome. We also present wet-lab methods used to validate predicted miRNAs, and approaches to computationally benchmark prediction accuracy. For each tool, we reference validation experiments and benchmarking efforts. Last, we discuss the future of the field. PMID:25674563

  14. Groundwater-quality data in the North San Francisco Bay Shallow Aquifer study unit, 2012: results from the California GAMA Program

    USGS Publications Warehouse

    Bennett, George L.; Fram, Miranda S.

    2014-01-01

    Results for constituents with non-regulatory benchmarks set for aesthetic concerns from the grid wells showed that iron concentrations greater than the CDPH secondary maximum contaminant level (SMCL-CA) of 300 μg/L were detected in 13 grid wells. Chloride was detected at a concentration greater than the SMCL-CA recommended benchmark of 250 mg/L in two grid wells. Sulfate concentrations greater than the SMCL-CA recommended benchmark of 250 mg/L were measured in two grid wells, and the concentration in one of these wells was also greater than the SMCL-CA upper benchmark of 500 mg/L. TDS concentrations greater than the SMCL-CA recommended benchmark of 500 mg/L were measured in 15 grid wells, and concentrations in 4 of these wells were also greater than the SMCL-CA upper benchmark of 1,000 mg/L.

  15. Model Uncertainty and Bayesian Model Averaged Benchmark Dose Estimation for Continuous Data

    EPA Science Inventory

    The benchmark dose (BMD) approach has gained acceptance as a valuable risk assessment tool, but risk assessors still face significant challenges associated with selecting an appropriate BMD/BMDL estimate from the results of a set of acceptable dose-response models. Current approa...

  16. 75 FR 6368 - Submission for OMB Review; Comment Request

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-09

    ... benchmarking U.S. performance in mathematics and science at the fourth- and eighth-grade levels against other... assessment data for internationally benchmarking U.S. performance in fourth-grade reading. NCES has received...

  17. Translational benchmark risk analysis

    PubMed Central

    Piegorsch, Walter W.

    2010-01-01

    Translational development – in the sense of translating a mature methodology from one area of application to another, evolving area – is discussed for the use of benchmark doses in quantitative risk assessment. Illustrations are presented with traditional applications of the benchmark paradigm in biology and toxicology, and also with risk endpoints that differ from traditional toxicological archetypes. It is seen that the benchmark approach can apply to a diverse spectrum of risk management settings. This suggests a promising future for this important risk-analytic tool. Extensions of the method to a wider variety of applications represent a significant opportunity for enhancing environmental, biomedical, industrial, and socio-economic risk assessments. PMID:20953283

  18. Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn

    NASA Astrophysics Data System (ADS)

    Balabanov, Nikolai B.; Peterson, Kirk A.

    2005-08-01

    Sequences of basis sets that systematically converge towards the complete basis set (CBS) limit have been developed for the first-row transition metal elements Sc-Zn. Two families of basis sets, nonrelativistic and Douglas-Kroll-Hess (-DK) relativistic, are presented that range in quality from triple-ζ to quintuple-ζ. Separate sets are developed for the description of valence (3d4s) electron correlation (cc-pVnZ and cc-pVnZ-DK; n =T,Q, 5) and valence plus outer-core (3s3p3d4s) correlation (cc-pwCVnZ and cc-pwCVnZ-DK; n =T,Q, 5), as well as these sets augmented by additional diffuse functions for the description of negative ions and weak interactions (aug-cc-pVnZ and aug-cc-pVnZ-DK). Extensive benchmark calculations at the coupled cluster level of theory are presented for atomic excitation energies, ionization potentials, and electron affinities, as well as molecular calculations on selected hydrides (TiH, MnH, CuH) and other diatomics (TiF, Cu2). In addition to observing systematic convergence towards the CBS limits, both 3s3p electron correlation and scalar relativity are calculated to strongly impact many of the atomic and molecular properties investigated for these first-row transition metal species.

  19. Leveraging long read sequencing from a single individual to provide a comprehensive resource for benchmarking variant calling methods

    PubMed Central

    Mu, John C.; Tootoonchi Afshar, Pegah; Mohiyuddin, Marghoob; Chen, Xi; Li, Jian; Bani Asadi, Narges; Gerstein, Mark B.; Wong, Wing H.; Lam, Hugo Y. K.

    2015-01-01

    A high-confidence, comprehensive human variant set is critical in assessing accuracy of sequencing algorithms, which are crucial in precision medicine based on high-throughput sequencing. Although recent works have attempted to provide such a resource, they still do not encompass all major types of variants including structural variants (SVs). Thus, we leveraged the massive high-quality Sanger sequences from the HuRef genome to construct by far the most comprehensive gold set of a single individual, which was cross validated with deep Illumina sequencing, population datasets, and well-established algorithms. It was a necessary effort to completely reanalyze the HuRef genome as its previously published variants were mostly reported five years ago, suffering from compatibility, organization, and accuracy issues that prevent their direct use in benchmarking. Our extensive analysis and validation resulted in a gold set with high specificity and sensitivity. In contrast to the current gold sets of the NA12878 or HS1011 genomes, our gold set is the first that includes small variants, deletion SVs and insertion SVs up to a hundred thousand base-pairs. We demonstrate the utility of our HuRef gold set to benchmark several published SV detection tools. PMID:26412485

  20. Improved hybrid information filtering based on limited time window

    NASA Astrophysics Data System (ADS)

    Song, Wen-Jun; Guo, Qiang; Liu, Jian-Guo

    2014-12-01

    Adopting the entire collecting information of users, the hybrid information filtering of heat conduction and mass diffusion (HHM) (Zhou et al., 2010) was successfully proposed to solve the apparent diversity-accuracy dilemma. Since the recent behaviors are more effective to capture the users' potential interests, we present an improved hybrid information filtering of adopting the partial recent information. We expand the time window to generate a series of training sets, each of which is treated as known information to predict the future links proven by the testing set. The experimental results on one benchmark dataset Netflix indicate that by only using approximately 31% recent rating records, the accuracy could be improved by an average of 4.22% and the diversity could be improved by 13.74%. In addition, the performance on the dataset MovieLens could be preserved by considering approximately 60% recent records. Furthermore, we find that the improved algorithm is effective to solve the cold-start problem. This work could improve the information filtering performance and shorten the computational time.

  1. A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

    NASA Astrophysics Data System (ADS)

    Li, Chenyang; Verma, Prakash; Hannon, Kevin P.; Evangelista, Francesco A.

    2017-08-01

    We propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree-Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

  2. Revisiting Yasinsky and Henry`s benchmark using modern nodal codes

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

    Feltus, M.A.; Becker, M.W.

    1995-12-31

    The numerical experiments analyzed by Yasinsky and Henry are quite trivial by comparison with today`s standards because they used the finite difference code WIGLE for their benchmark. Also, this problem is a simple slab (one-dimensional) case with no feedback mechanisms. This research attempts to obtain STAR (Ref. 2) and NEM (Ref. 3) code results in order to produce a more modern kinetics benchmark with results comparable WIGLE.

  3. A time-implicit numerical method and benchmarks for the relativistic Vlasov–Ampere equations

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

    Carrie, Michael; Shadwick, B. A.

    2016-01-04

    Here, we present a time-implicit numerical method to solve the relativistic Vlasov–Ampere system of equations on a two dimensional phase space grid. The time-splitting algorithm we use allows the generalization of the work presented here to higher dimensions keeping the linear aspect of the resulting discrete set of equations. The implicit method is benchmarked against linear theory results for the relativistic Landau damping for which analytical expressions using the Maxwell-Juttner distribution function are derived. We note that, independently from the shape of the distribution function, the relativistic treatment features collective behaviors that do not exist in the non relativistic case.more » The numerical study of the relativistic two-stream instability completes the set of benchmarking tests.« less

  4. A time-implicit numerical method and benchmarks for the relativistic Vlasov–Ampere equations

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

    Carrié, Michael, E-mail: mcarrie2@unl.edu; Shadwick, B. A., E-mail: shadwick@mailaps.org

    2016-01-15

    We present a time-implicit numerical method to solve the relativistic Vlasov–Ampere system of equations on a two dimensional phase space grid. The time-splitting algorithm we use allows the generalization of the work presented here to higher dimensions keeping the linear aspect of the resulting discrete set of equations. The implicit method is benchmarked against linear theory results for the relativistic Landau damping for which analytical expressions using the Maxwell-Jüttner distribution function are derived. We note that, independently from the shape of the distribution function, the relativistic treatment features collective behaviours that do not exist in the nonrelativistic case. The numericalmore » study of the relativistic two-stream instability completes the set of benchmarking tests.« less

  5. Toward Scalable Benchmarks for Mass Storage Systems

    NASA Technical Reports Server (NTRS)

    Miller, Ethan L.

    1996-01-01

    This paper presents guidelines for the design of a mass storage system benchmark suite, along with preliminary suggestions for programs to be included. The benchmarks will measure both peak and sustained performance of the system as well as predicting both short- and long-term behavior. These benchmarks should be both portable and scalable so they may be used on storage systems from tens of gigabytes to petabytes or more. By developing a standard set of benchmarks that reflect real user workload, we hope to encourage system designers and users to publish performance figures that can be compared with those of other systems. This will allow users to choose the system that best meets their needs and give designers a tool with which they can measure the performance effects of improvements to their systems.

  6. Enact legislation supporting residential property assessed clean energy financing (PACE)

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

    Saha, Devashree

    Congress should enact legislation that supports residential property assessed clean energy (PACE) programs in the nation’s states and metropolitan areas. Such legislation should require the Federal Housing Finance Agency (FHFA) to allow Fannie Mae and Freddie Mac to purchase residential mortgages with PACE assessments while at the same time providing responsible underwriting standards and a set of benchmarks for residential PACE assessments in order to minimize financial risks to mortgage holders. Congressional support of residential PACE financing will improve energy efficiency, encourage job creation, and foster economic growth in the nation’s state and metropolitan areas.

  7. Demonstration of Qubit Operations Below a Rigorous Fault Tolerance Threshold With Gate Set Tomography (Open Access, Publisher’s Version)

    DTIC Science & Technology

    2017-02-15

    Maunz2 Quantum information processors promise fast algorithms for problems inaccessible to classical computers. But since qubits are noisy and error-prone...information processors have been demonstrated experimentally using superconducting circuits1–3, electrons in semiconductors4–6, trapped atoms and...qubit quantum information processor has been realized14, and single- qubit gates have demonstrated randomized benchmarking (RB) infidelities as low as 10

  8. Setting Evidence-Based Language Goals

    ERIC Educational Resources Information Center

    Goertler, Senta; Kraemer, Angelika; Schenker, Theresa

    2016-01-01

    The purpose of this project was to identify target language benchmarks for the German program at Michigan State University (MSU) based on national and international guidelines and previous research, to assess language skills across course levels and class sections in the entire German program, and to adjust the language benchmarks as needed based…

  9. Benchmarking Attrition: What Can We Learn From Other Industries?

    ERIC Educational Resources Information Center

    Delta Cost Project at American Institutes for Research, 2012

    2012-01-01

    This brief summarizes Internet-based research into other industries that may offer useful analogies for thinking about student attrition in higher education, in particular for setting realistic benchmarks for reductions in attrition. Reducing attrition to zero or close to zero is not a realistic possibility in higher education. Students are…

  10. Role of the standard deviation in the estimation of benchmark doses with continuous data.

    PubMed

    Gaylor, David W; Slikker, William

    2004-12-01

    For continuous data, risk is defined here as the proportion of animals with values above a large percentile, e.g., the 99th percentile or below the 1st percentile, for the distribution of values among control animals. It is known that reducing the standard deviation of measurements through improved experimental techniques will result in less stringent (higher) doses for the lower confidence limit on the benchmark dose that is estimated to produce a specified risk of animals with abnormal levels for a biological effect. Thus, a somewhat larger (less stringent) lower confidence limit is obtained that may be used as a point of departure for low-dose risk assessment. It is shown in this article that it is important for the benchmark dose to be based primarily on the standard deviation among animals, s(a), apart from the standard deviation of measurement errors, s(m), within animals. If the benchmark dose is incorrectly based on the overall standard deviation among average values for animals, which includes measurement error variation, the benchmark dose will be overestimated and the risk will be underestimated. The bias increases as s(m) increases relative to s(a). The bias is relatively small if s(m) is less than one-third of s(a), a condition achieved in most experimental designs.

  11. Sensitivity of the Properties of Ruthenium “Blue Dimer” to Method, Basis Set, and Continuum Model

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

    Ozkanlar, Abdullah; Clark, Aurora E.

    2012-05-23

    The ruthenium “blue dimer” [(bpy)2RuIIIOH2]2O4+ is best known as the first well-defined molecular catalyst for water oxidation. It has been subject to numerous computational studies primarily employing density functional theory. However, those studies have been limited in the functionals, basis sets, and continuum models employed. The controversy in the calculated electronic structure and the reaction energetics of this catalyst highlights the necessity of benchmark calculations that explore the role of density functionals, basis sets, and continuum models upon the essential features of blue-dimer reactivity. In this paper, we report Kohn-Sham complete basis set (KS-CBS) limit extrapolations of the electronic structuremore » of “blue dimer” using GGA (BPW91 and BP86), hybrid-GGA (B3LYP), and meta-GGA (M06-L) density functionals. The dependence of solvation free energy corrections on the different cavity types (UFF, UA0, UAHF, UAKS, Bondi, and Pauling) within polarizable and conductor-like polarizable continuum model has also been investigated. The most common basis sets of double-zeta quality are shown to yield results close to the KS-CBS limit; however, large variations are observed in the reaction energetics as a function of density functional and continuum cavity model employed.« less

  12. Separating homeologs by phasing in the tetraploid wheat transcriptome.

    PubMed

    Krasileva, Ksenia V; Buffalo, Vince; Bailey, Paul; Pearce, Stephen; Ayling, Sarah; Tabbita, Facundo; Soria, Marcelo; Wang, Shichen; Akhunov, Eduard; Uauy, Cristobal; Dubcovsky, Jorge

    2013-06-25

    The high level of identity among duplicated homoeologous genomes in tetraploid pasta wheat presents substantial challenges for de novo transcriptome assembly. To solve this problem, we develop a specialized bioinformatics workflow that optimizes transcriptome assembly and separation of merged homoeologs. To evaluate our strategy, we sequence and assemble the transcriptome of one of the diploid ancestors of pasta wheat, and compare both assemblies with a benchmark set of 13,472 full-length, non-redundant bread wheat cDNAs. A total of 489 million 100 bp paired-end reads from tetraploid wheat assemble in 140,118 contigs, including 96% of the benchmark cDNAs. We used a comparative genomics approach to annotate 66,633 open reading frames. The multiple k-mer assembly strategy increases the proportion of cDNAs assembled full-length in a single contig by 22% relative to the best single k-mer size. Homoeologs are separated using a post-assembly pipeline that includes polymorphism identification, phasing of SNPs, read sorting, and re-assembly of phased reads. Using a reference set of genes, we determine that 98.7% of SNPs analyzed are correctly separated by phasing. Our study shows that de novo transcriptome assembly of tetraploid wheat benefit from multiple k-mer assembly strategies more than diploid wheat. Our results also demonstrate that phasing approaches originally designed for heterozygous diploid organisms can be used to separate the close homoeologous genomes of tetraploid wheat. The predicted tetraploid wheat proteome and gene models provide a valuable tool for the wheat research community and for those interested in comparative genomic studies.

  13. Separating homeologs by phasing in the tetraploid wheat transcriptome

    PubMed Central

    2013-01-01

    Background The high level of identity among duplicated homoeologous genomes in tetraploid pasta wheat presents substantial challenges for de novo transcriptome assembly. To solve this problem, we develop a specialized bioinformatics workflow that optimizes transcriptome assembly and separation of merged homoeologs. To evaluate our strategy, we sequence and assemble the transcriptome of one of the diploid ancestors of pasta wheat, and compare both assemblies with a benchmark set of 13,472 full-length, non-redundant bread wheat cDNAs. Results A total of 489 million 100 bp paired-end reads from tetraploid wheat assemble in 140,118 contigs, including 96% of the benchmark cDNAs. We used a comparative genomics approach to annotate 66,633 open reading frames. The multiple k-mer assembly strategy increases the proportion of cDNAs assembled full-length in a single contig by 22% relative to the best single k-mer size. Homoeologs are separated using a post-assembly pipeline that includes polymorphism identification, phasing of SNPs, read sorting, and re-assembly of phased reads. Using a reference set of genes, we determine that 98.7% of SNPs analyzed are correctly separated by phasing. Conclusions Our study shows that de novo transcriptome assembly of tetraploid wheat benefit from multiple k-mer assembly strategies more than diploid wheat. Our results also demonstrate that phasing approaches originally designed for heterozygous diploid organisms can be used to separate the close homoeologous genomes of tetraploid wheat. The predicted tetraploid wheat proteome and gene models provide a valuable tool for the wheat research community and for those interested in comparative genomic studies. PMID:23800085

  14. Results of a Multi-Institutional Benchmark Test for Cranial CT/MR Image Registration

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

    Ulin, Kenneth; Urie, Marcia M., E-mail: murie@qarc.or; Cherlow, Joel M.

    2010-08-01

    Purpose: Variability in computed tomography/magnetic resonance imaging (CT/MR) cranial image registration was assessed using a benchmark case developed by the Quality Assurance Review Center to credential institutions for participation in Children's Oncology Group Protocol ACNS0221 for treatment of pediatric low-grade glioma. Methods and Materials: Two DICOM image sets, an MR and a CT of the same patient, were provided to each institution. A small target in the posterior occipital lobe was readily visible on two slices of the MR scan and not visible on the CT scan. Each institution registered the two scans using whatever software system and method itmore » ordinarily uses for such a case. The target volume was then contoured on the two MR slices, and the coordinates of the center of the corresponding target in the CT coordinate system were reported. The average of all submissions was used to determine the true center of the target. Results: Results are reported from 51 submissions representing 45 institutions and 11 software systems. The average error in the position of the center of the target was 1.8 mm (1 standard deviation = 2.2 mm). The least variation in position was in the lateral direction. Manual registration gave significantly better results than did automatic registration (p = 0.02). Conclusion: When MR and CT scans of the head are registered with currently available software, there is inherent uncertainty of approximately 2 mm (1 standard deviation), which should be considered when defining planning target volumes and PRVs for organs at risk on registered image sets.« less

  15. Electron-helium S-wave model benchmark calculations. I. Single ionization and single excitation

    NASA Astrophysics Data System (ADS)

    Bartlett, Philip L.; Stelbovics, Andris T.

    2010-02-01

    A full four-body implementation of the propagating exterior complex scaling (PECS) method [J. Phys. B 37, L69 (2004)] is developed and applied to the electron-impact of helium in an S-wave model. Time-independent solutions to the Schrödinger equation are found numerically in coordinate space over a wide range of energies and used to evaluate total and differential cross sections for a complete set of three- and four-body processes with benchmark precision. With this model we demonstrate the suitability of the PECS method for the complete solution of the full electron-helium system. Here we detail the theoretical and computational development of the four-body PECS method and present results for three-body channels: single excitation and single ionization. Four-body cross sections are presented in the sequel to this article [Phys. Rev. A 81, 022716 (2010)]. The calculations reveal structure in the total and energy-differential single-ionization cross sections for excited-state targets that is due to interference from autoionization channels and is evident over a wide range of incident electron energies.

  16. Singlet-catalyzed electroweak phase transitions in the 100 TeV frontier

    NASA Astrophysics Data System (ADS)

    Kotwal, Ashutosh V.; Ramsey-Musolf, Michael J.; No, Jose Miguel; Winslow, Peter

    2016-08-01

    We study the prospects for probing a gauge singlet scalar-driven strong first-order electroweak phase transition with a future proton-proton collider in the 100 TeV range. Singlet-Higgs mixing enables resonantly enhanced di-Higgs production, potentially aiding discovery prospects. We perform Monte Carlo scans of the parameter space to identify regions associated with a strong first-order electroweak phase transition, analyze the corresponding di-Higgs signal, and select a set of benchmark points that span the range of di-Higgs signal strengths. For the b b ¯γ γ and 4 τ final states, we investigate discovery prospects for each benchmark point for the high-luminosity phase of the Large Hadron Collider and for a future p p collider with √{s }=50 , 100, or 200 TeV. We find that any of these future collider scenarios could significantly extend the reach beyond that of the high-luminosity LHC, and that with √{s }=100 TeV (200 TeV) and 30 ab-1 , the full region of parameter space favorable to strong first-order electroweak phase transitions is almost fully (fully) discoverable.

  17. Levelized Cost of Energy Analysis of Marine and Hydrokinetic Reference Models: Preprint

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

    Jenne, D. S.; Yu, Y. H.; Neary, V.

    2015-04-24

    In 2010 the U.S. Department of Energy initiated the development of six marine energy converter reference models. The reference models are point designs of well-known marine energy converters. Each device was designed to operate in a specific marine resource, instead of a generic device that can be deployed at any location. This method allows each device to be used as a benchmark for future reference model to benchmark future devices. The six designs consist of three current energy converters and three wave energy converters. The reference model project has generated both technical and economic data sets that are available inmore » the public domain. The methodology to calculate the levelized cost of energy for the reference model project and an overall comparison of the cost of energy from these six reference-model designs are presented in this paper.« less

  18. A benchmark for vehicle detection on wide area motion imagery

    NASA Astrophysics Data System (ADS)

    Catrambone, Joseph; Amzovski, Ismail; Liang, Pengpeng; Blasch, Erik; Sheaff, Carolyn; Wang, Zhonghai; Chen, Genshe; Ling, Haibin

    2015-05-01

    Wide area motion imagery (WAMI) has been attracting an increased amount of research attention due to its large spatial and temporal coverage. An important application includes moving target analysis, where vehicle detection is often one of the first steps before advanced activity analysis. While there exist many vehicle detection algorithms, a thorough evaluation of them on WAMI data still remains a challenge mainly due to the lack of an appropriate benchmark data set. In this paper, we address a research need by presenting a new benchmark for wide area motion imagery vehicle detection data. The WAMI benchmark is based on the recently available Wright-Patterson Air Force Base (WPAFB09) dataset and the Temple Resolved Uncertainty Target History (TRUTH) associated target annotation. Trajectory annotations were provided in the original release of the WPAFB09 dataset, but detailed vehicle annotations were not available with the dataset. In addition, annotations of static vehicles, e.g., in parking lots, are also not identified in the original release. Addressing these issues, we re-annotated the whole dataset with detailed information for each vehicle, including not only a target's location, but also its pose and size. The annotated WAMI data set should be useful to community for a common benchmark to compare WAMI detection, tracking, and identification methods.

  19. 77 FR 36533 - Notice of Availability of the Benchmark Dose Technical Guidance

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-19

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9688-7] Notice of Availability of the Benchmark Dose Technical Guidance AGENCY: Environmental Protection Agency (EPA). ACTION: Notice of Availability. SUMMARY: The U.S. Environmental Protection Agency is announcing the availability of Benchmark Dose Technical...

  20. Memory-Intensive Benchmarks: IRAM vs. Cache-Based Machines

    NASA Technical Reports Server (NTRS)

    Biswas, Rupak; Gaeke, Brian R.; Husbands, Parry; Li, Xiaoye S.; Oliker, Leonid; Yelick, Katherine A.; Biegel, Bryan (Technical Monitor)

    2002-01-01

    The increasing gap between processor and memory performance has lead to new architectural models for memory-intensive applications. In this paper, we explore the performance of a set of memory-intensive benchmarks and use them to compare the performance of conventional cache-based microprocessors to a mixed logic and DRAM processor called VIRAM. The benchmarks are based on problem statements, rather than specific implementations, and in each case we explore the fundamental hardware requirements of the problem, as well as alternative algorithms and data structures that can help expose fine-grained parallelism or simplify memory access patterns. The benchmarks are characterized by their memory access patterns, their basic control structures, and the ratio of computation to memory operation.

  1. [The OPTIMISE study (Optimal Type 2 Diabetes Management Including Benchmarking and Standard Treatment]. Results for Luxembourg].

    PubMed

    Michel, G

    2012-01-01

    The OPTIMISE study (NCT00681850) has been run in six European countries, including Luxembourg, to prospectively assess the effect of benchmarking on the quality of primary care in patients with type 2 diabetes, using major modifiable vascular risk factors as critical quality indicators. Primary care centers treating type 2 diabetic patients were randomized to give standard care (control group) or standard care with feedback benchmarked against other centers in each country (benchmarking group). Primary endpoint was percentage of patients in the benchmarking group achieving pre-set targets of the critical quality indicators: glycated hemoglobin (HbAlc), systolic blood pressure (SBP) and low-density lipoprotein (LDL) cholesterol after 12 months follow-up. In Luxembourg, in the benchmarking group, more patients achieved target for SBP (40.2% vs. 20%) and for LDL-cholesterol (50.4% vs. 44.2%). 12.9% of patients in the benchmarking group met all three targets compared with patients in the control group (8.3%). In this randomized, controlled study, benchmarking was shown to be an effective tool for improving critical quality indicator targets, which are the principal modifiable vascular risk factors in diabetes type 2.

  2. Do Medicare Advantage Plans Minimize Costs? Investigating the Relationship Between Benchmarks, Costs, and Rebates.

    PubMed

    Zuckerman, Stephen; Skopec, Laura; Guterman, Stuart

    2017-12-01

    Medicare Advantage (MA), the program that allows people to receive their Medicare benefits through private health plans, uses a benchmark-and-bidding system to induce plans to provide benefits at lower costs. However, prior research suggests medical costs, profits, and other plan costs are not as low under this system as they might otherwise be. To examine how well the current system encourages MA plans to bid their lowest cost by examining the relationship between costs and bonuses (rebates) and the benchmarks Medicare uses in determining plan payments. Regression analysis using 2015 data for HMO and local PPO plans. Costs and rebates are higher for MA plans in areas with higher benchmarks, and plan costs vary less than benchmarks do. A one-dollar increase in benchmarks is associated with 32-cent-higher plan costs and a 52-cent-higher rebate, even when controlling for market and plan factors that can affect costs. This suggests the current benchmark-and-bidding system allows plans to bid higher than local input prices and other market conditions would seem to warrant. To incentivize MA plans to maximize efficiency and minimize costs, Medicare could change the way benchmarks are set or used.

  3. An impatient evolutionary algorithm with probabilistic tabu search for unified solution of some NP-hard problems in graph and set theory via clique finding.

    PubMed

    Guturu, Parthasarathy; Dantu, Ram

    2008-06-01

    Many graph- and set-theoretic problems, because of their tremendous application potential and theoretical appeal, have been well investigated by the researchers in complexity theory and were found to be NP-hard. Since the combinatorial complexity of these problems does not permit exhaustive searches for optimal solutions, only near-optimal solutions can be explored using either various problem-specific heuristic strategies or metaheuristic global-optimization methods, such as simulated annealing, genetic algorithms, etc. In this paper, we propose a unified evolutionary algorithm (EA) to the problems of maximum clique finding, maximum independent set, minimum vertex cover, subgraph and double subgraph isomorphism, set packing, set partitioning, and set cover. In the proposed approach, we first map these problems onto the maximum clique-finding problem (MCP), which is later solved using an evolutionary strategy. The proposed impatient EA with probabilistic tabu search (IEA-PTS) for the MCP integrates the best features of earlier successful approaches with a number of new heuristics that we developed to yield a performance that advances the state of the art in EAs for the exploration of the maximum cliques in a graph. Results of experimentation with the 37 DIMACS benchmark graphs and comparative analyses with six state-of-the-art algorithms, including two from the smaller EA community and four from the larger metaheuristics community, indicate that the IEA-PTS outperforms the EAs with respect to a Pareto-lexicographic ranking criterion and offers competitive performance on some graph instances when individually compared to the other heuristic algorithms. It has also successfully set a new benchmark on one graph instance. On another benchmark suite called Benchmarks with Hidden Optimal Solutions, IEA-PTS ranks second, after a very recent algorithm called COVER, among its peers that have experimented with this suite.

  4. Diversity Recruiting: Overview of Practices and Benchmarks. CERI Research Brief 4-2013

    ERIC Educational Resources Information Center

    Gardner, Phil

    2013-01-01

    Little information exists on the basic elements of diversity recruiting on college campuses. A set of questions was developed for the Collegiate Employment Research Institute's (CERI's) annual college hiring survey that attempted to capture the current practices and benchmarks being employed by organizations in their diversity recruiting programs.…

  5. Mathematics Content Standards Benchmarks and Performance Standards

    ERIC Educational Resources Information Center

    New Mexico Public Education Department, 2008

    2008-01-01

    New Mexico Mathematics Content Standards, Benchmarks, and Performance Standards identify what students should know and be able to do across all grade levels, forming a spiraling framework in the sense that many skills, once introduced, develop over time. While the Performance Standards are set forth at grade-specific levels, they do not exist as…

  6. A Critical Thinking Benchmark for a Department of Agricultural Education and Studies

    ERIC Educational Resources Information Center

    Perry, Dustin K.; Retallick, Michael S.; Paulsen, Thomas H.

    2014-01-01

    Due to an ever changing world where technology seemingly provides endless answers, today's higher education students must master a new skill set reflecting an emphasis on critical thinking, problem solving, and communications. The purpose of this study was to establish a departmental benchmark for critical thinking abilities of students majoring…

  7. Toxicological benchmarks for screening potential contaminants of concern for effects on aquatic biota: 1994 Revision

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

    Suter, G.W. II; Mabrey, J.B.

    1994-07-01

    This report presents potential screening benchmarks for protection of aquatic life from contaminants in water. Because there is no guidance for screening benchmarks, a set of alternative benchmarks is presented herein. The alternative benchmarks are based on different conceptual approaches to estimating concentrations causing significant effects. For the upper screening benchmark, there are the acute National Ambient Water Quality Criteria (NAWQC) and the Secondary Acute Values (SAV). The SAV concentrations are values estimated with 80% confidence not to exceed the unknown acute NAWQC for those chemicals with no NAWQC. The alternative chronic benchmarks are the chronic NAWQC, the Secondary Chronicmore » Value (SCV), the lowest chronic values for fish and daphnids from chronic toxicity tests, the estimated EC20 for a sensitive species, and the concentration estimated to cause a 20% reduction in the recruit abundance of largemouth bass. It is recommended that ambient chemical concentrations be compared to all of these benchmarks. If NAWQC are exceeded, the chemicals must be contaminants of concern because the NAWQC are applicable or relevant and appropriate requirements (ARARs). If NAWQC are not exceeded, but other benchmarks are, contaminants should be selected on the basis of the number of benchmarks exceeded and the conservatism of the particular benchmark values, as discussed in the text. To the extent that toxicity data are available, this report presents the alternative benchmarks for chemicals that have been detected on the Oak Ridge Reservation. It also presents the data used to calculate benchmarks and the sources of the data. It compares the benchmarks and discusses their relative conservatism and utility.« less

  8. Optimization of a solid-state electron spin qubit using Gate Set Tomography

    DOE PAGES

    Dehollain, Juan P.; Muhonen, Juha T.; Blume-Kohout, Robin J.; ...

    2016-10-13

    Here, state of the art qubit systems are reaching the gate fidelities required for scalable quantum computation architectures. Further improvements in the fidelity of quantum gates demands characterization and benchmarking protocols that are efficient, reliable and extremely accurate. Ideally, a benchmarking protocol should also provide information on how to rectify residual errors. Gate Set Tomography (GST) is one such protocol designed to give detailed characterization of as-built qubits. We implemented GST on a high-fidelity electron-spin qubit confined by a single 31P atom in 28Si. The results reveal systematic errors that a randomized benchmarking analysis could measure but not identify, whereasmore » GST indicated the need for improved calibration of the length of the control pulses. After introducing this modification, we measured a new benchmark average gate fidelity of 99.942(8)%, an improvement on the previous value of 99.90(2)%. Furthermore, GST revealed high levels of non-Markovian noise in the system, which will need to be understood and addressed when the qubit is used within a fault-tolerant quantum computation scheme.« less

  9. Toxicological benchmarks for screening potential contaminants of concern for effects on soil and litter invertebrates and heterotrophic process

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

    Will, M.E.; Suter, G.W. II

    1994-09-01

    One of the initial stages in ecological risk assessments for hazardous waste sites is the screening of contaminants to determine which of them are worthy of further consideration as {open_quotes}contaminants of potential concern.{close_quotes} This process is termed {open_quotes}contaminant screening.{close_quotes} It is performed by comparing measured ambient concentrations of chemicals to benchmark concentrations. Currently, no standard benchmark concentrations exist for assessing contaminants in soil with respect to their toxicity to soil- and litter-dwelling invertebrates, including earthworms, other micro- and macroinvertebrates, or heterotrophic bacteria and fungi. This report presents a standard method for deriving benchmarks for this purpose, sets of data concerningmore » effects of chemicals in soil on invertebrates and soil microbial processes, and benchmarks for chemicals potentially associated with United States Department of Energy sites. In addition, literature describing the experiments from which data were drawn for benchmark derivation. Chemicals that are found in soil at concentrations exceeding both the benchmarks and the background concentration for the soil type should be considered contaminants of potential concern.« less

  10. Benchmarking study of the MCNP code against cold critical experiments

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

    Sitaraman, S.

    1991-01-01

    The purpose of this study was to benchmark the widely used Monte Carlo code MCNP against a set of cold critical experiments with a view to using the code as a means of independently verifying the performance of faster but less accurate Monte Carlo and deterministic codes. The experiments simulated consisted of both fast and thermal criticals as well as fuel in a variety of chemical forms. A standard set of benchmark cold critical experiments was modeled. These included the two fast experiments, GODIVA and JEZEBEL, the TRX metallic uranium thermal experiments, the Babcock and Wilcox oxide and mixed oxidemore » experiments, and the Oak Ridge National Laboratory (ORNL) and Pacific Northwest Laboratory (PNL) nitrate solution experiments. The principal case studied was a small critical experiment that was performed with boiling water reactor bundles.« less

  11. The mass storage testing laboratory at GSFC

    NASA Technical Reports Server (NTRS)

    Venkataraman, Ravi; Williams, Joel; Michaud, David; Gu, Heng; Kalluri, Atri; Hariharan, P. C.; Kobler, Ben; Behnke, Jeanne; Peavey, Bernard

    1998-01-01

    Industry-wide benchmarks exist for measuring the performance of processors (SPECmarks), and of database systems (Transaction Processing Council). Despite storage having become the dominant item in computing and IT (Information Technology) budgets, no such common benchmark is available in the mass storage field. Vendors and consultants provide services and tools for capacity planning and sizing, but these do not account for the complete set of metrics needed in today's archives. The availability of automated tape libraries, high-capacity RAID systems, and high- bandwidth interconnectivity between processor and peripherals has led to demands for services which traditional file systems cannot provide. File Storage and Management Systems (FSMS), which began to be marketed in the late 80's, have helped to some extent with large tape libraries, but their use has introduced additional parameters affecting performance. The aim of the Mass Storage Test Laboratory (MSTL) at Goddard Space Flight Center is to develop a test suite that includes not only a comprehensive check list to document a mass storage environment but also benchmark code. Benchmark code is being tested which will provide measurements for both baseline systems, i.e. applications interacting with peripherals through the operating system services, and for combinations involving an FSMS. The benchmarks are written in C, and are easily portable. They are initially being aimed at the UNIX Open Systems world. Measurements are being made using a Sun Ultra 170 Sparc with 256MB memory running Solaris 2.5.1 with the following configuration: 4mm tape stacker on SCSI 2 Fast/Wide; 4GB disk device on SCSI 2 Fast/Wide; and Sony Petaserve on Fast/Wide differential SCSI 2.

  12. Surgeon-Specific Reports in General Surgery: Establishing Benchmarks for Peer Comparison Within a Single Hospital.

    PubMed

    Hatfield, Mark D; Ashton, Carol M; Bass, Barbara L; Shirkey, Beverly A

    2016-02-01

    Methods to assess a surgeon's individual performance based on clinically meaningful outcomes have not been fully developed, due to small numbers of adverse outcomes and wide variation in case volumes. The Achievable Benchmark of Care (ABC) method addresses these issues by identifying benchmark-setting surgeons with high levels of performance and greater case volumes. This method was used to help surgeons compare their surgical practice to that of their peers by using merged National Surgical Quality Improvement Program (NSQIP) and Metabolic and Bariatric Surgery Accreditation and Quality Improvement Program (MBSAQIP) data to generate surgeon-specific reports. A retrospective cohort study at a single institution's department of surgery was conducted involving 107 surgeons (8,660 cases) over 5.5 years. Stratification of more than 32,000 CPT codes into 16 CPT clusters served as the risk adjustment. Thirty-day outcomes of interest included surgical site infection (SSI), acute kidney injury (AKI), and mortality. Performance characteristics of the ABC method were explored by examining how many surgeons were identified as benchmark-setters in view of volume and outcome rates within CPT clusters. For the data captured, most surgeons performed cases spanning a median of 5 CPT clusters (range 1 to 15 clusters), with a median of 26 cases (range 1 to 776 cases) and a median of 2.8 years (range 0 to 5.5 years). The highest volume surgeon for that CPT cluster set the benchmark for 6 of 16 CPT clusters for SSIs, 8 of 16 CPT clusters for AKIs, and 9 of 16 CPT clusters for mortality. The ABC method appears to be a sound and useful approach to identifying benchmark-setting surgeons within a single institution. Such surgeons may be able to help their peers improve their performance. Copyright © 2016 American College of Surgeons. Published by Elsevier Inc. All rights reserved.

  13. Paying Medicare Advantage Plans: To Level or Tilt the Playing Field

    PubMed Central

    Glazer, Jacob; McGuire, Thomas G.

    2017-01-01

    Medicare beneficiaries are eligible for health insurance through the public option of traditional Medicare (TM) or may join a private Medicare Advantage (MA) plan. Both are highly subsidized but in different ways. Medicare pays for most of costs directly in TM, and makes a subsidy payment to an MA plan based on a “benchmark” for each beneficiary choosing a private plan. The level of this benchmark is arguably the most important policy decision Medicare makes about the MA program. Presently, about 30% of beneficiaries are in MA, and Medicare subsidizes MA plans more on average than TM. Many analysts recommend equalizing Medicare’s subsidy across the options – referred to in policy circles as a “level playing field.” This paper studies the normative question of how to set the level of the benchmark, applying the versatile model of plan choice developed by Einav and Finkelstein (EF) to Medicare. The EF framework implies unequal subsidies to counteract risk selection across plan types. We also study other reasons to tilt the field: the relative efficiency of MA vs. TM, market power of MA plans, and institutional features of the way Medicare determines subsidies and premiums. After review of the empirical and policy literature, we conclude that in areas where the MA market is competitive, the benchmark should be set below average costs in TM, but in areas characterized by imperfect competition in MA, it should be raised in order to offset output (enrollment) restrictions by plans with market power. We also recommend specific modifications of Medicare rules to make demand for MA more price elastic. PMID:28318667

  14. Searching for Elements of Evidence-based Practices in Children’s Usual Care and Examining their Impact

    PubMed Central

    Garland, Ann F.; Accurso, Erin C.; Haine-Schlagel, Rachel; Brookman-Frazee, Lauren; Roesch, Scott; Zhang, Jin Jin

    2014-01-01

    Objective Most of the knowledge generated to bridge the research - practice gap has been derived from experimental studies implementing specific treatment models. Alternatively, this study uses observational methods to generate knowledge about community-based treatment processes and outcomes. Aims are to (1) describe outcome trajectories for children with disruptive behavior problems (DBPs), and (2) test how observed delivery of a benchmark set of practice elements common in evidence-based (EB) treatments may be associated with outcome change, while accounting for potential confounding variables. Method Participants included 190 children ages 4–13 with DBPs and their caregivers, plus 85 psychotherapists, recruited from six clinics. All treatment sessions were video-taped and a random sample of four sessions in the first four months of treatment was reliably coded for intensity on 27 practice elements (benchmark set and others). Three outcomes (child symptom severity, parent discipline, and family functioning) were assessed by parent report at intake, four, and eight months. Data were collected on several potential covariates including child, parent, therapist, and service use characteristics. Multi-level modeling was used to assess relationships between observed practice and outcome slopes, while accounting for covariates. Results Children and families demonstrated improvements in all three outcomes, but few significant associations between treatment processes and outcome change were identified. Families receiving greater intensity on the benchmark practice elements did demonstrate greater improvement in the parental discipline outcome. Conclusion Observed changes in outcomes for families in community care were generally not strongly associated with the type or amount of treatment received. PMID:24555882

  15. Simulation-based comprehensive benchmarking of RNA-seq aligners

    PubMed Central

    Baruzzo, Giacomo; Hayer, Katharina E; Kim, Eun Ji; Di Camillo, Barbara; FitzGerald, Garret A; Grant, Gregory R

    2018-01-01

    Alignment is the first step in most RNA-seq analysis pipelines, and the accuracy of downstream analyses depends heavily on it. Unlike most steps in the pipeline, alignment is particularly amenable to benchmarking with simulated data. We performed a comprehensive benchmarking of 14 common splice-aware aligners for base, read, and exon junction-level accuracy and compared default with optimized parameters. We found that performance varied by genome complexity, and accuracy and popularity were poorly correlated. The most widely cited tool underperforms for most metrics, particularly when using default settings. PMID:27941783

  16. Assessing Student Understanding of the "New Biology": Development and Evaluation of a Criterion-Referenced Genomics and Bioinformatics Assessment

    NASA Astrophysics Data System (ADS)

    Campbell, Chad Edward

    Over the past decade, hundreds of studies have introduced genomics and bioinformatics (GB) curricula and laboratory activities at the undergraduate level. While these publications have facilitated the teaching and learning of cutting-edge content, there has yet to be an evaluation of these assessment tools to determine if they are meeting the quality control benchmarks set forth by the educational research community. An analysis of these assessment tools indicated that <10% referenced any quality control criteria and that none of the assessments met more than one of the quality control benchmarks. In the absence of evidence that these benchmarks had been met, it is unclear whether these assessment tools are capable of generating valid and reliable inferences about student learning. To remedy this situation the development of a robust GB assessment aligned with the quality control benchmarks was undertaken in order to ensure evidence-based evaluation of student learning outcomes. Content validity is a central piece of construct validity, and it must be used to guide instrument and item development. This study reports on: (1) the correspondence of content validity evidence gathered from independent sources; (2) the process of item development using this evidence; (3) the results from a pilot administration of the assessment; (4) the subsequent modification of the assessment based on the pilot administration results and; (5) the results from the second administration of the assessment. Twenty-nine different subtopics within GB (Appendix B: Genomics and Bioinformatics Expert Survey) were developed based on preliminary GB textbook analyses. These subtopics were analyzed using two methods designed to gather content validity evidence: (1) a survey of GB experts (n=61) and (2) a detailed content analyses of GB textbooks (n=6). By including only the subtopics that were shown to have robust support across these sources, 22 GB subtopics were established for inclusion in the assessment. An expert panel subsequently developed, evaluated, and revised two multiple-choice items to align with each of the 22 subtopics, producing a final item pool of 44 items. These items were piloted with student samples of varying content exposure levels. Both Classical Test Theory (CTT) and Item Response Theory (IRT) methodologies were used to evaluate the assessment's validity, reliability and ability inferences, and its ability to differentiate students with different magnitudes of content exposure. A total of 18 items were subsequently modified and reevaluated by an expert panel. The 26 original and 18 modified items were once again piloted with student samples of varying content exposure levels. Both CTT and IRT methodologies were once again used to evaluate student responses in order to evaluate the assessment's validity and reliability inferences as well as its ability to differentiate students with different magnitudes of content exposure. Interviews with students from different content exposure levels were also performed in order to gather convergent validity evidence (external validity evidence) as well as substantive validity evidence. Also included are the limitations of the assessment and a set of guidelines on how the assessment can best be used.

  17. 40 CFR 141.172 - Disinfection profiling and benchmarking.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... more representative annual data set than the data set determined under paragraph (a)(1) or (2) of this... may require that a system use a more representative annual data set than the data set determined under... data set than the data set determined under paragraph (a)(2)(i) of this section, the system must submit...

  18. 40 CFR 141.172 - Disinfection profiling and benchmarking.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... more representative annual data set than the data set determined under paragraph (a)(1) or (2) of this... may require that a system use a more representative annual data set than the data set determined under... data set than the data set determined under paragraph (a)(2)(i) of this section, the system must submit...

  19. 40 CFR 141.172 - Disinfection profiling and benchmarking.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... more representative annual data set than the data set determined under paragraph (a)(1) or (2) of this... may require that a system use a more representative annual data set than the data set determined under... data set than the data set determined under paragraph (a)(2)(i) of this section, the system must submit...

  20. How do organisational characteristics influence teamwork and service delivery in lung cancer diagnostic assessment programmes? A mixed-methods study

    PubMed Central

    Honein-AbouHaidar, Gladys N; Stuart-McEwan, Terri; Waddell, Tom; Salvarrey, Alexandra; Smylie, Jennifer; Dobrow, Mark J; Brouwers, Melissa C; Gagliardi, Anna R

    2017-01-01

    Objectives Diagnostic assessment programmes (DAPs) can reduce wait times for cancer diagnosis, but optimal DAP design is unknown. This study explored how organisational characteristics influenced multidisciplinary teamwork and diagnostic service delivery in lung cancer DAPs. Design A mixed-methods approach integrated data from descriptive qualitative interviews and medical record abstraction at 4 lung cancer DAPs. Findings were analysed with the Integrated Team Effectiveness Model. Setting 4 DAPs at 2 teaching and 2 community hospitals in Canada. Participants 22 staff were interviewed about organisational characteristics, target service benchmarks, and teamwork processes, determinants and outcomes; 314 medical records were reviewed for actual service benchmarks. Results Formal, informal and asynchronous team processes enabled service delivery and yielded many perceived benefits at the patient, staff and service levels. However, several DAP characteristics challenged teamwork and service delivery: referral volume/workload, time since launch, days per week of operation, rural–remote population, number and type of full-time/part-time human resources, staff colocation, information systems. As a result, all sites failed to meet target benchmarks (from referral to consultation median 4.0 visits, median wait time 35.0 days). Recommendations included improved information systems, more staff in all specialties, staff colocation and expanded roles for patient navigators. Findings were captured in a conceptual framework of lung cancer DAP teamwork determinants and outcomes. Conclusions This study identified several DAP characteristics that could be improved to facilitate teamwork and enhance service delivery, thereby contributing to knowledge of organisational determinants of teamwork and associated outcomes. Findings can be used to update existing DAP guidelines, and by managers to plan or evaluate lung cancer DAPs. Ongoing research is needed to identify ideal roles for navigators, and staffing models tailored to case volumes. PMID:28235969

  1. Deriving empirical benchmarks from existing monitoring datasets for rangeland adaptive management

    USDA-ARS?s Scientific Manuscript database

    Under adaptive management, goals and decisions for managing rangeland resources are shaped by requirements like the Bureau of Land Management’s (BLM’s) Land Health Standards, which specify desired conditions. Without formalized, quantitative benchmarks for triggering management actions, adaptive man...

  2. Benchmark levels for the consumptive water footprint of crop production for different environmental conditions: a case study for winter wheat in China

    NASA Astrophysics Data System (ADS)

    Zhuo, La; Mekonnen, Mesfin M.; Hoekstra, Arjen Y.

    2016-11-01

    Meeting growing food demands while simultaneously shrinking the water footprint (WF) of agricultural production is one of the greatest societal challenges. Benchmarks for the WF of crop production can serve as a reference and be helpful in setting WF reduction targets. The consumptive WF of crops, the consumption of rainwater stored in the soil (green WF), and the consumption of irrigation water (blue WF) over the crop growing period varies spatially and temporally depending on environmental factors like climate and soil. The study explores which environmental factors should be distinguished when determining benchmark levels for the consumptive WF of crops. Hereto we determine benchmark levels for the consumptive WF of winter wheat production in China for all separate years in the period 1961-2008, for rain-fed vs. irrigated croplands, for wet vs. dry years, for warm vs. cold years, for four different soil classes, and for two different climate zones. We simulate consumptive WFs of winter wheat production with the crop water productivity model AquaCrop at a 5 by 5 arcmin resolution, accounting for water stress only. The results show that (i) benchmark levels determined for individual years for the country as a whole remain within a range of ±20 % around long-term mean levels over 1961-2008, (ii) the WF benchmarks for irrigated winter wheat are 8-10 % larger than those for rain-fed winter wheat, (iii) WF benchmarks for wet years are 1-3 % smaller than for dry years, (iv) WF benchmarks for warm years are 7-8 % smaller than for cold years, (v) WF benchmarks differ by about 10-12 % across different soil texture classes, and (vi) WF benchmarks for the humid zone are 26-31 % smaller than for the arid zone, which has relatively higher reference evapotranspiration in general and lower yields in rain-fed fields. We conclude that when determining benchmark levels for the consumptive WF of a crop, it is useful to primarily distinguish between different climate zones. If actual consumptive WFs of winter wheat throughout China were reduced to the benchmark levels set by the best 25 % of Chinese winter wheat production (1224 m3 t-1 for arid areas and 841 m3 t-1 for humid areas), the water saving in an average year would be 53 % of the current water consumption at winter wheat fields in China. The majority of the yield increase and associated improvement in water productivity can be achieved in southern China.

  3. Application of Benchmark Dose Methodology to a Variety of Endpoints and Exposures

    EPA Science Inventory

    This latest beta version (1.1b) of the U.S. Environmental Protection Agency (EPA) Benchmark Dose Software (BMDS) is being distributed for public comment. The BMDS system is being developed as a tool to facilitate the application of benchmark dose (BMD) methods to EPA hazardous p...

  4. Access to a simulator is not enough: the benefits of virtual reality training based on peer-group-derived benchmarks--a randomized controlled trial.

    PubMed

    von Websky, Martin W; Raptis, Dimitri A; Vitz, Martina; Rosenthal, Rachel; Clavien, P A; Hahnloser, Dieter

    2013-11-01

    Virtual reality (VR) simulators are widely used to familiarize surgical novices with laparoscopy, but VR training methods differ in efficacy. In the present trial, self-controlled basic VR training (SC-training) was tested against training based on peer-group-derived benchmarks (PGD-training). First, novice laparoscopic residents were randomized into a SC group (n = 34), and a group using PGD-benchmarks (n = 34) for basic laparoscopic training. After completing basic training, both groups performed 60 VR laparoscopic cholecystectomies for performance analysis. Primary endpoints were simulator metrics; secondary endpoints were program adherence, trainee motivation, and training efficacy. Altogether, 66 residents completed basic training, and 3,837 of 3,960 (96.8 %) cholecystectomies were available for analysis. Course adherence was good, with only two dropouts, both in the SC-group. The PGD-group spent more time and repetitions in basic training until the benchmarks were reached and subsequently showed better performance in the readout cholecystectomies: Median time (gallbladder extraction) showed significant differences of 520 s (IQR 354-738 s) in SC-training versus 390 s (IQR 278-536 s) in the PGD-group (p < 0.001) and 215 s (IQR 175-276 s) in experts, respectively. Path length of the right instrument also showed significant differences, again with the PGD-training group being more efficient. Basic VR laparoscopic training based on PGD benchmarks with external assessment is superior to SC training, resulting in higher trainee motivation and better performance in simulated laparoscopic cholecystectomies. We recommend such a basic course based on PGD benchmarks before advancing to more elaborate VR training.

  5. State Education Agency Communications Process: Benchmark and Best Practices Project. Benchmark and Best Practices Project. Issue No. 01

    ERIC Educational Resources Information Center

    Zavadsky, Heather

    2014-01-01

    The role of state education agencies (SEAs) has shifted significantly from low-profile, compliance activities like managing federal grants to engaging in more complex and politically charged tasks like setting curriculum standards, developing accountability systems, and creating new teacher evaluation systems. The move from compliance-monitoring…

  6. 75 FR 51058 - The Effects of Mountaintop Mines and Valley Fills on Aquatic Ecosystems of the Central...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-08-18

    ... the public additional time to evaluate the data used to derive a benchmark for conductivity. The... FR 18499). By following the link below, reviewers may download the initial data and EPA's derivative data sets that were used to calculate the conductivity benchmark. These reports were developed by the...

  7. Analysis of the Paternalistic Justification of an Agenda Setting Public Health Policy: The Case of Tobacco Plain Packaging

    PubMed Central

    Anker, Thomas Boysen

    2016-01-01

    This article analyses the paternalistic justification of the world’s first mandatory tobacco plain packaging policy, which came into force in Australia in 2012. The policy is setting international precedence, with a range of developed and developing countries planning and implementing similar policies. Understanding the paternalistic dimension of the policy is therefore of imminent international importance. The policy meets important ethical benchmarks such as respect for citizens’ self-interests and protection of others against harm. However, plain packaging faces a number of ethical challenges: the policy is a controversial type of paternalism; it runs partially against the harm principle; and it fails to meet key operational criteria. PMID:27551306

  8. Search for a fermiophobic Higgs boson decaying into diphotons in pp[over] collisions at sqrt[s] = 1.96 TeV.

    PubMed

    Aaltonen, T; Adelman, J; Akimoto, T; Alvarez González, B; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Apresyan, A; Arisawa, T; Artikov, A; Ashmanskas, W; Attal, A; Aurisano, A; Azfar, F; Azzurri, P; Badgett, W; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Bartsch, V; Bauer, G; Beauchemin, P-H; Bedeschi, F; Beecher, D; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Beringer, J; Bhatti, A; Binkley, M; Bisello, D; Bizjak, I; Blair, R E; Blocker, C; Blumenfeld, B; Bocci, A; Bodek, A; Boisvert, V; Bolla, G; Bortoletto, D; Boudreau, J; Boveia, A; Brau, B; Bridgeman, A; Brigliadori, L; Bromberg, C; Brubaker, E; Budagov, J; Budd, H S; Budd, S; Burke, S; Burkett, K; Busetto, G; Bussey, P; Buzatu, A; Byrum, K L; Cabrera, S; Calancha, C; Campanelli, M; Campbell, M; Canelli, F; Canepa, A; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Carron, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chang, S H; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Chlebana, F; Cho, K; Chokheli, D; Chou, J P; Choudalakis, G; Chuang, S H; Chung, K; Chung, W H; Chung, Y S; Chwalek, T; Ciobanu, C I; Ciocci, M A; Clark, A; Clark, D; Compostella, G; Convery, M E; Conway, J; Cordelli, M; Cortiana, G; Cox, C A; Cox, D J; Crescioli, F; Cuenca Almenar, C; Cuevas, J; Culbertson, R; Cully, J C; Dagenhart, D; Datta, M; Davies, T; de Barbaro, P; De Cecco, S; Deisher, A; De Lorenzo, G; Dell'orso, M; Deluca, C; Demay, C; Demortier, L; Deng, J; Deninno, M; Derwent, P F; di Giovanni, G P; Dionisi, C; Di Ruzza, B; Dittmann, J R; D'Onofrio, M; Donati, S; Dong, P; Donini, J; Dorigo, T; Dube, S; Efron, J; Elagin, A; Erbacher, R; Errede, D; Errede, S; Eusebi, R; Fang, H C; Farrington, S; Fedorko, W T; Feild, R G; Feindt, M; Fernandez, J P; Ferrazza, C; Field, R; Flanagan, G; Forrest, R; Frank, M J; Franklin, M; Freeman, J C; Furic, I; Gallinaro, M; Galyardt, J; Garberson, F; Garcia, J E; Garfinkel, A F; Genser, K; Gerberich, H; Gerdes, D; Gessler, A; Giagu, S; Giakoumopoulou, V; Giannetti, P; Gibson, K; Gimmell, J L; Ginsburg, C M; Giokaris, N; Giordani, M; Giromini, P; Giunta, M; Giurgiu, G; Glagolev, V; Glenzinski, D; Gold, M; Goldschmidt, N; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González, O; Gorelov, I; Goshaw, A T; Goulianos, K; Gresele, A; Grinstein, S; Grosso-Pilcher, C; Grundler, U; Guimaraes da Costa, J; Gunay-Unalan, Z; Haber, C; Hahn, K; Hahn, S R; Halkiadakis, E; Han, B-Y; Han, J Y; Happacher, F; Hara, K; Hare, D; Hare, M; Harper, S; Harr, R F; Harris, R M; Hartz, M; Hatakeyama, K; Hays, C; Heck, M; Heijboer, A; Heinrich, J; Henderson, C; Herndon, M; Heuser, J; Hewamanage, S; Hidas, D; Hill, C S; Hirschbuehl, D; Hocker, A; Hou, S; Houlden, M; Hsu, S-C; Huffman, B T; Hughes, R E; Husemann, U; Hussein, M; Husemann, U; Huston, J; Incandela, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jayatilaka, B; Jeon, E J; Jha, M K; Jindariani, S; Johnson, W; Jones, M; Joo, K K; Jun, S Y; Jung, J E; Junk, T R; Kamon, T; Kar, D; Karchin, P E; Kato, Y; Kephart, R; Keung, J; Khotilovich, V; Kilminster, B; Kim, D H; Kim, H S; Kim, H W; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kimura, N; Kirsch, L; Klimenko, S; Knuteson, B; Ko, B R; Kondo, K; Kong, D J; Konigsberg, J; Korytov, A; Kotwal, A V; Kreps, M; Kroll, J; Krop, D; Krumnack, N; Kruse, M; Krutelyov, V; Kubo, T; Kuhr, T; Kulkarni, N P; Kurata, M; Kwang, S; Laasanen, A T; Lami, S; Lammel, S; Lancaster, M; Lander, R L; Lannon, K; Lath, A; Latino, G; Lazzizzera, I; Lecompte, T; Lee, E; Lee, H S; Lee, S W; Leone, S; Lewis, J D; Lin, C-S; Linacre, J; Lindgren, M; Lipeles, E; Lister, A; Litvintsev, D O; Liu, C; Liu, T; Lockyer, N S; Loginov, A; Loreti, M; Lovas, L; Lucchesi, D; Luci, C; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lyons, L; Lys, J; Lysak, R; Macqueen, D; Madrak, R; Maeshima, K; Makhoul, K; Maki, T; Maksimovic, P; Malde, S; Malik, S; Manca, G; Manousakis-Katsikakis, A; Margaroli, F; Marino, C; Marino, C P; Martin, A; Martin, V; Martínez, M; Martínez-Ballarín, R; Maruyama, T; Mastrandrea, P; Masubuchi, T; Mathis, M; Mattson, M E; Mazzanti, P; McFarland, K S; McIntyre, P; McNulty, R; Mehta, A; Mehtala, P; Menzione, A; Merkel, P; Mesropian, C; Miao, T; Miladinovic, N; Miller, R; Mills, C; Milnik, M; Mitra, A; Mitselmakher, G; Miyake, H; Moggi, N; Moon, C S; Moore, R; Morello, M J; Morlock, J; Movilla Fernandez, P; Mülmenstädt, J; Mukherjee, A; Muller, Th; Mumford, R; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Nagano, A; Naganoma, J; Nakamura, K; Nakano, I; Napier, A; Necula, V; Nett, J; Neu, C; Neubauer, M S; Neubauer, S; Nielsen, J; Nodulman, L; Norman, M; Norniella, O; Nurse, E; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Osterberg, K; Pagan Griso, S; Palencia, E; Papadimitriou, V; Papaikonomou, A; Paramonov, A A; Parks, B; Pashapour, S; Patrick, J; Pauletta, G; Paulini, M; Paus, C; Peiffer, T; Pellett, D E; Penzo, A; Phillips, T J; Piacentino, G; Pianori, E; Pinera, L; Pitts, K; Plager, C; Pondrom, L; Poukhov, O; Pounder, N; Prakoshyn, F; Pronko, A; Proudfoot, J; Ptohos, F; Pueschel, E; Punzi, G; Pursley, J; Rademacker, J; Rahaman, A; Ramakrishnan, V; Ranjan, N; Ray, J; Redondo, I; Renton, P; Renz, M; Rescigno, M; Richter, S; Rimondi, F; Ristori, L; Robson, A; Rodrigo, T; Rodriguez, T; Rogers, E; Rolli, S; Roser, R; Rossi, M; Rossin, R; Roy, P; Ruiz, A; Russ, J; Rusu, V; Saarikko, H; Safonov, A; Sakumoto, W K; Saltó, O; Santi, L; Sarkar, S; Sartori, L; Sato, K; Savoy-Navarro, A; Schlabach, P; Schmidt, A; Schmidt, E E; Schmidt, M A; Schmidt, M P; Schmitt, M; Schwarz, T; Scodellaro, L; Scribano, A; Scuri, F; Sedov, A; Seidel, S; Seiya, Y; Semenov, A; Sexton-Kennedy, L; Sforza, F; Sfyrla, A; Shalhout, S Z; Shears, T; Shepard, P F; Shimojima, M; Shiraishi, S; Shochet, M; Shon, Y; Shreyber, I; Sidoti, A; Sinervo, P; Sisakyan, A; Slaughter, A J; Slaunwhite, J; Sliwa, K; Smith, J R; Snider, F D; Snihur, R; Soha, A; Somalwar, S; Sorin, V; Spalding, J; Spreitzer, T; Squillacioti, P; Stanitzki, M; St Denis, R; Stelzer, B; Stelzer-Chilton, O; Stentz, D; Strologas, J; Strycker, G L; Stuart, D; Suh, J S; Sukhanov, A; Suslov, I; Suzuki, T; Taffard, A; Takashima, R; Takeuchi, Y; Tanaka, R; Tecchio, M; Teng, P K; Terashi, K; Thom, J; Thompson, A S; Thompson, G A; Thomson, E; Tipton, P; Ttito-Guzmán, P; Tkaczyk, S; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Totaro, P; Tourneur, S; Trovato, M; Tsai, S-Y; Tu, Y; Turini, N; Ukegawa, F; Vallecorsa, S; van Remortel, N; Varganov, A; Vataga, E; Vázquez, F; Velev, G; Vellidis, C; Vidal, M; Vidal, R; Vila, I; Vilar, R; Vine, T; Vogel, M; Volobouev, I; Volpi, G; Wagner, P; Wagner, R G; Wagner, R L; Wagner, W; Wagner-Kuhr, J; Wakisaka, T; Wallny, R; Wang, S M; Warburton, A; Waters, D; Weinberger, M; Weinelt, J; Wester, W C; Whitehouse, B; Whiteson, D; Wicklund, A B; Wicklund, E; Wilbur, S; Williams, G; Williams, H H; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, C; Wright, T; Wu, X; Würthwein, F; Xie, S; Yagil, A; Yamamoto, K; Yamaoka, J; Yang, U K; Yang, Y C; Yao, W M; Yeh, G P; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Yu, S S; Yun, J C; Zanello, L; Zanetti, A; Zhang, X; Zheng, Y; Zucchelli, S

    2009-08-07

    A search for a narrow diphoton mass resonance is presented based on data from 3.0 fb;{-1} of integrated luminosity from pp[over ] collisions at sqrt[s] = 1.96 TeV collected by the CDF experiment. No evidence of a resonance in the diphoton mass spectrum is observed, and upper limits are set on the cross section times branching fraction of the resonant state as a function of Higgs boson mass. The resulting limits exclude Higgs bosons with masses below 106 GeV/c;{2} at a 95% Bayesian credibility level for one fermiophobic benchmark model.

  9. Kohn-Sham Band Structure Benchmark Including Spin-Orbit Coupling for 2D and 3D Solids

    NASA Astrophysics Data System (ADS)

    Huhn, William; Blum, Volker

    2015-03-01

    Accurate electronic band structures serve as a primary indicator of the suitability of a material for a given application, e.g., as electronic or catalytic materials. Computed band structures, however, are subject to a host of approximations, some of which are more obvious (e.g., the treatment of the exchange-correlation of self-energy) and others less obvious (e.g., the treatment of core, semicore, or valence electrons, handling of relativistic effects, or the accuracy of the underlying basis set used). We here provide a set of accurate Kohn-Sham band structure benchmarks, using the numeric atom-centered all-electron electronic structure code FHI-aims combined with the ``traditional'' PBE functional and the hybrid HSE functional, to calculate core, valence, and low-lying conduction bands of a set of 2D and 3D materials. Benchmarks are provided with and without effects of spin-orbit coupling, using quasi-degenerate perturbation theory to predict spin-orbit splittings. This work is funded by Fritz-Haber-Institut der Max-Planck-Gesellschaft.

  10. Categorical Regression and Benchmark Dose Software 3.0

    EPA Science Inventory

    The objective of this full-day course is to provide participants with interactive training on the use of the U.S. Environmental Protection Agency’s (EPA) Benchmark Dose software (BMDS, version 3.0, released fall 2018) and Categorical Regression software (CatReg, version 3.1...

  11. Bis(O-ethyl dithio-carbonato-κS,S')bis-(pyridine-3-carbonitrile-κN)nickel(II).

    PubMed

    Kapoor, Sanjay; Kour, Ramandeep; Sachar, Renu; Kant, Rajni; Gupta, Vivek K; Kapoor, Kamini

    2012-01-01

    The Ni(2+) ion in the title complex, [Ni(C(3)H(5)OS(2))(2)(C(6)H(4)N(2))(2)], is in a strongly distorted octa-hedral coordination environment formed by an N(2)S(4) donor set, with the Ni(2+) ion located on a centre of inversion. In the crystal, weak C-H⋯S and C-H⋯N inter-actions are observed.

  12. Signifying quantum benchmarks for qubit teleportation and secure quantum communication using Einstein-Podolsky-Rosen steering inequalities

    NASA Astrophysics Data System (ADS)

    Reid, M. D.

    2013-12-01

    The demonstration of quantum teleportation of a photonic qubit from Alice to Bob usually relies on data conditioned on detection at Bob's location. I show that Bohm's Einstein-Podolsky-Rosen (EPR) paradox can be used to verify that the quantum benchmark for qubit teleportation has been reached, without postselection. This is possible for scenarios insensitive to losses at the generation station, and with efficiencies of ηB>1/3 for the teleportation process. The benchmark is obtained if it is shown that Bob can “steer” Alice's record of the qubit as stored by Charlie. EPR steering inequalities involving m measurement settings can also be used to confirm quantum teleportation, for efficiencies ηB>1/m, if one assumes trusted detectors for Charlie and Alice. Using proofs of monogamy, I show that two-setting EPR steering inequalities can signify secure teleportation of the qubit state.

  13. Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data.

    PubMed

    Rohrer, Sebastian G; Baumann, Knut

    2009-02-01

    Refined nearest neighbor analysis was recently introduced for the analysis of virtual screening benchmark data sets. It constitutes a technique from the field of spatial statistics and provides a mathematical framework for the nonparametric analysis of mapped point patterns. Here, refined nearest neighbor analysis is used to design benchmark data sets for virtual screening based on PubChem bioactivity data. A workflow is devised that purges data sets of compounds active against pharmaceutically relevant targets from unselective hits. Topological optimization using experimental design strategies monitored by refined nearest neighbor analysis functions is applied to generate corresponding data sets of actives and decoys that are unbiased with regard to analogue bias and artificial enrichment. These data sets provide a tool for Maximum Unbiased Validation (MUV) of virtual screening methods. The data sets and a software package implementing the MUV design workflow are freely available at http://www.pharmchem.tu-bs.de/lehre/baumann/MUV.html.

  14. SkData: data sets and algorithm evaluation protocols in Python

    NASA Astrophysics Data System (ADS)

    Bergstra, James; Pinto, Nicolas; Cox, David D.

    2015-01-01

    Machine learning benchmark data sets come in all shapes and sizes, whereas classification algorithms assume sanitized input, such as (x, y) pairs with vector-valued input x and integer class label y. Researchers and practitioners know all too well how tedious it can be to get from the URL of a new data set to a NumPy ndarray suitable for e.g. pandas or sklearn. The SkData library handles that work for a growing number of benchmark data sets (small and large) so that one-off in-house scripts for downloading and parsing data sets can be replaced with library code that is reliable, community-tested, and documented. The SkData library also introduces an open-ended formalization of training and testing protocols that facilitates direct comparison with published research. This paper describes the usage and architecture of the SkData library.

  15. Organic contaminants, trace and major elements, and nutrients in water and sediment sampled in response to the Deepwater Horizon oil spill

    USGS Publications Warehouse

    Nowell, Lisa H.; Ludtke, Amy S.; Mueller, David K.; Scott, Jonathon C.

    2012-01-01

    Beach water and sediment samples were collected along the Gulf of Mexico coast to assess differences in contaminant concentrations before and after landfall of Macondo-1 well oil released into the Gulf of Mexico from the sinking of the British Petroleum Corporation's Deepwater Horizon drilling platform. Samples were collected at 70 coastal sites between May 7 and July 7, 2010, to document baseline, or "pre-landfall" conditions. A subset of 48 sites was resampled during October 4 to 14, 2010, after oil had made landfall on the Gulf of Mexico coast, called the "post-landfall" sampling period, to determine if actionable concentrations of oil were present along shorelines. Few organic contaminants were detected in water; their detection frequencies generally were low and similar in pre-landfall and post-landfall samples. Only one organic contaminant--toluene--had significantly higher concentrations in post-landfall than pre-landfall water samples. No water samples exceeded any human-health benchmarks, and only one post-landfall water sample exceeded an aquatic-life benchmark--the toxic-unit benchmark for polycyclic aromatic hydrocarbons (PAH) mixtures. In sediment, concentrations of 3 parent PAHs and 17 alkylated PAH groups were significantly higher in post-landfall samples than pre-landfall samples. One pre-landfall sample from Texas exceeded the sediment toxic-unit benchmark for PAH mixtures; this site was not sampled during the post-landfall period. Empirical upper screening-value benchmarks for PAHs in sediment were exceeded at 37 percent of post-landfall samples and 22 percent of pre-landfall samples, but there was no significant difference in the proportion of samples exceeding benchmarks between paired pre-landfall and post-landfall samples. Seven sites had the largest concentration differences between post-landfall and pre-landfall samples for 15 alkylated PAHs. Five of these seven sites, located in Louisiana, Mississippi, and Alabama, had diagnostic geochemical evidence of Macondo-1 oil in post-landfall sediments and tarballs. For trace and major elements in water, analytical reporting levels for several elements were high and variable. No human-health benchmarks were exceeded, although these were available for only two elements. Aquatic-life benchmarks for trace elements were exceeded in 47 percent of water samples overall. The elements responsible for the most exceedances in post-landfall samples were boron, copper, and manganese. Benchmark exceedances in water could be substantially underestimated because some samples had reporting levels higher than the applicable benchmarks (such as cobalt, copper, lead and zinc) and some elements (such as boron and vanadium) were analyzed in samples from only one sampling period. For trace elements in whole sediment, empirical upper screening-value benchmarks were exceeded in 57 percent of post-landfall samples and 40 percent of pre-landfall samples, but there was no significant difference in the proportion of samples exceeding benchmarks between paired pre-landfall and post-landfall samples. Benchmark exceedance frequencies could be conservatively high because they are based on measurements of total trace-element concentrations in sediment. In the less than 63-micrometer sediment fraction, one or more trace or major elements were anthropogenically enriched relative to national baseline values for U.S. streams for all sediment samples except one. Sixteen percent of sediment samples exceeded upper screening-value benchmarks for, and were enriched in, one or more of the following elements: barium, vanadium, aluminum, manganese, arsenic, chromium, and cobalt. These samples were evenly divided between the sampling periods. Aquatic-life benchmarks were frequently exceeded along the Gulf of Mexico coast by trace elements in both water and sediment and by PAHs in sediment. For the most part, however, significant differences between pre-landfall and post-landfall samples were limited to concentrations of PAHs in sediment. At five sites along the coast, the higher post-landfall concentrations of PAHs were associated with diagnostic geochemical evidence of Deepwater Horizon Macondo-1 oil.

  16. 75 FR 35289 - International Services Surveys: BE-180, Benchmark Survey of Financial Services Transactions...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-22

    ...-AA73 International Services Surveys: BE-180, Benchmark Survey of Financial Services Transactions Between U.S. Financial Services Providers and Foreign Persons AGENCY: Bureau of Economic Analysis... Survey of Financial Services Transactions between U.S. Financial Services Providers and Foreign Persons...

  17. A Web Resource for Standardized Benchmark Datasets, Metrics, and Rosetta Protocols for Macromolecular Modeling and Design.

    PubMed

    Ó Conchúir, Shane; Barlow, Kyle A; Pache, Roland A; Ollikainen, Noah; Kundert, Kale; O'Meara, Matthew J; Smith, Colin A; Kortemme, Tanja

    2015-01-01

    The development and validation of computational macromolecular modeling and design methods depend on suitable benchmark datasets and informative metrics for comparing protocols. In addition, if a method is intended to be adopted broadly in diverse biological applications, there needs to be information on appropriate parameters for each protocol, as well as metrics describing the expected accuracy compared to experimental data. In certain disciplines, there exist established benchmarks and public resources where experts in a particular methodology are encouraged to supply their most efficient implementation of each particular benchmark. We aim to provide such a resource for protocols in macromolecular modeling and design. We present a freely accessible web resource (https://kortemmelab.ucsf.edu/benchmarks) to guide the development of protocols for protein modeling and design. The site provides benchmark datasets and metrics to compare the performance of a variety of modeling protocols using different computational sampling methods and energy functions, providing a "best practice" set of parameters for each method. Each benchmark has an associated downloadable benchmark capture archive containing the input files, analysis scripts, and tutorials for running the benchmark. The captures may be run with any suitable modeling method; we supply command lines for running the benchmarks using the Rosetta software suite. We have compiled initial benchmarks for the resource spanning three key areas: prediction of energetic effects of mutations, protein design, and protein structure prediction, each with associated state-of-the-art modeling protocols. With the help of the wider macromolecular modeling community, we hope to expand the variety of benchmarks included on the website and continue to evaluate new iterations of current methods as they become available.

  18. Benchmarks and Quality Assurance for Online Course Development in Higher Education

    ERIC Educational Resources Information Center

    Wang, Hong

    2008-01-01

    As online education has entered the main stream of the U.S. higher education, quality assurance in online course development has become a critical topic in distance education. This short article summarizes the major benchmarks related to online course development, listing and comparing the benchmarks of the National Education Association (NEA),…

  19. Long-term tracking of budding yeast cells in brightfield microscopy: CellStar and the Evaluation Platform.

    PubMed

    Versari, Cristian; Stoma, Szymon; Batmanov, Kirill; Llamosi, Artémis; Mroz, Filip; Kaczmarek, Adam; Deyell, Matt; Lhoussaine, Cédric; Hersen, Pascal; Batt, Gregory

    2017-02-01

    With the continuous expansion of single cell biology, the observation of the behaviour of individual cells over extended durations and with high accuracy has become a problem of central importance. Surprisingly, even for yeast cells that have relatively regular shapes, no solution has been proposed that reaches the high quality required for long-term experiments for segmentation and tracking (S&T) based on brightfield images. Here, we present CellStar , a tool chain designed to achieve good performance in long-term experiments. The key features are the use of a new variant of parametrized active rays for segmentation, a neighbourhood-preserving criterion for tracking, and the use of an iterative approach that incrementally improves S&T quality. A graphical user interface enables manual corrections of S&T errors and their use for the automated correction of other, related errors and for parameter learning. We created a benchmark dataset with manually analysed images and compared CellStar with six other tools, showing its high performance, notably in long-term tracking. As a community effort, we set up a website, the Yeast Image Toolkit, with the benchmark and the Evaluation Platform to gather this and additional information provided by others. © 2017 The Authors.

  20. Long-term tracking of budding yeast cells in brightfield microscopy: CellStar and the Evaluation Platform

    PubMed Central

    Versari, Cristian; Stoma, Szymon; Batmanov, Kirill; Llamosi, Artémis; Mroz, Filip; Kaczmarek, Adam; Deyell, Matt

    2017-01-01

    With the continuous expansion of single cell biology, the observation of the behaviour of individual cells over extended durations and with high accuracy has become a problem of central importance. Surprisingly, even for yeast cells that have relatively regular shapes, no solution has been proposed that reaches the high quality required for long-term experiments for segmentation and tracking (S&T) based on brightfield images. Here, we present CellStar, a tool chain designed to achieve good performance in long-term experiments. The key features are the use of a new variant of parametrized active rays for segmentation, a neighbourhood-preserving criterion for tracking, and the use of an iterative approach that incrementally improves S&T quality. A graphical user interface enables manual corrections of S&T errors and their use for the automated correction of other, related errors and for parameter learning. We created a benchmark dataset with manually analysed images and compared CellStar with six other tools, showing its high performance, notably in long-term tracking. As a community effort, we set up a website, the Yeast Image Toolkit, with the benchmark and the Evaluation Platform to gather this and additional information provided by others. PMID:28179544

  1. LASL benchmark performance 1978. [CDC STAR-100, 6600, 7600, Cyber 73, and CRAY-1

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

    McKnight, A.L.

    1979-08-01

    This report presents the results of running several benchmark programs on a CDC STAR-100, a Cray Research CRAY-1, a CDC 6600, a CDC 7600, and a CDC Cyber 73. The benchmark effort included CRAY-1's at several installations running different operating systems and compilers. This benchmark is part of an ongoing program at Los Alamos Scientific Laboratory to collect performance data and monitor the development trend of supercomputers. 3 tables.

  2. Benchmark studies of the gyro-Landau-fluid code and gyro-kinetic codes on kinetic ballooning modes

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

    Tang, T. F.; Lawrence Livermore National Laboratory, Livermore, California 94550; Xu, X. Q.

    2016-03-15

    A Gyro-Landau-Fluid (GLF) 3 + 1 model has been recently implemented in BOUT++ framework, which contains full Finite-Larmor-Radius effects, Landau damping, and toroidal resonance [Ma et al., Phys. Plasmas 22, 055903 (2015)]. A linear global beta scan has been conducted using the JET-like circular equilibria (cbm18 series), showing that the unstable modes are kinetic ballooning modes (KBMs). In this work, we use the GYRO code, which is a gyrokinetic continuum code widely used for simulation of the plasma microturbulence, to benchmark with GLF 3 + 1 code on KBMs. To verify our code on the KBM case, we first perform the beta scan basedmore » on “Cyclone base case parameter set.” We find that the growth rate is almost the same for two codes, and the KBM mode is further destabilized as beta increases. For JET-like global circular equilibria, as the modes localize in peak pressure gradient region, a linear local beta scan using the same set of equilibria has been performed at this position for comparison. With the drift kinetic electron module in the GYRO code by including small electron-electron collision to damp electron modes, GYRO generated mode structures and parity suggest that they are kinetic ballooning modes, and the growth rate is comparable to the GLF results. However, a radial scan of the pedestal for a particular set of cbm18 equilibria, using GYRO code, shows different trends for the low-n and high-n modes. The low-n modes show that the linear growth rate peaks at peak pressure gradient position as GLF results. However, for high-n modes, the growth rate of the most unstable mode shifts outward to the bottom of pedestal and the real frequency of what was originally the KBMs in ion diamagnetic drift direction steadily approaches and crosses over to the electron diamagnetic drift direction.« less

  3. PSO algorithm enhanced with Lozi Chaotic Map - Tuning experiment

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

    Pluhacek, Michal; Senkerik, Roman; Zelinka, Ivan

    2015-03-10

    In this paper it is investigated the effect of tuning of control parameters of the Lozi Chaotic Map employed as a chaotic pseudo-random number generator for the particle swarm optimization algorithm. Three different benchmark functions are selected from the IEEE CEC 2013 competition benchmark set. The Lozi map is extensively tuned and the performance of PSO is evaluated.

  4. A high-fidelity airbus benchmark for system fault detection and isolation and flight control law clearance

    NASA Astrophysics Data System (ADS)

    Goupil, Ph.; Puyou, G.

    2013-12-01

    This paper presents a high-fidelity generic twin engine civil aircraft model developed by Airbus for advanced flight control system research. The main features of this benchmark are described to make the reader aware of the model complexity and representativeness. It is a complete representation including the nonlinear rigid-body aircraft model with a full set of control surfaces, actuator models, sensor models, flight control laws (FCL), and pilot inputs. Two applications of this benchmark in the framework of European projects are presented: FCL clearance using optimization and advanced fault detection and diagnosis (FDD).

  5. An optimized proportional-derivative controller for the human upper extremity with gravity.

    PubMed

    Jagodnik, Kathleen M; Blana, Dimitra; van den Bogert, Antonie J; Kirsch, Robert F

    2015-10-15

    When Functional Electrical Stimulation (FES) is used to restore movement in subjects with spinal cord injury (SCI), muscle stimulation patterns should be selected to generate accurate and efficient movements. Ideally, the controller for such a neuroprosthesis will have the simplest architecture possible, to facilitate translation into a clinical setting. In this study, we used the simulated annealing algorithm to optimize two proportional-derivative (PD) feedback controller gain sets for a 3-dimensional arm model that includes musculoskeletal dynamics and has 5 degrees of freedom and 22 muscles, performing goal-oriented reaching movements. Controller gains were optimized by minimizing a weighted sum of position errors, orientation errors, and muscle activations. After optimization, gain performance was evaluated on the basis of accuracy and efficiency of reaching movements, along with three other benchmark gain sets not optimized for our system, on a large set of dynamic reaching movements for which the controllers had not been optimized, to test ability to generalize. Robustness in the presence of weakened muscles was also tested. The two optimized gain sets were found to have very similar performance to each other on all metrics, and to exhibit significantly better accuracy, compared with the three standard gain sets. All gain sets investigated used physiologically acceptable amounts of muscular activation. It was concluded that optimization can yield significant improvements in controller performance while still maintaining muscular efficiency, and that optimization should be considered as a strategy for future neuroprosthesis controller design. Published by Elsevier Ltd.

  6. Benchmark Shock Tube Experiments for Radiative Heating Relevant to Earth Re-Entry

    NASA Technical Reports Server (NTRS)

    Brandis, A. M.; Cruden, B. A.

    2017-01-01

    Detailed spectrally and spatially resolved radiance has been measured in the Electric Arc Shock Tube (EAST) facility for conditions relevant to high speed entry into a variety of atmospheres, including Earth, Venus, Titan, Mars and the Outer Planets. The tests that measured radiation relevant for Earth re-entry are the focus of this work and are taken from campaigns 47, 50, 52 and 57. These tests covered conditions from 8 km/s to 15.5 km/s at initial pressures ranging from 0.05 Torr to 1 Torr, of which shots at 0.1 and 0.2 Torr are analyzed in this paper. These conditions cover a range of points of interest for potential fight missions, including return from Low Earth Orbit, the Moon and Mars. The large volume of testing available from EAST is useful for statistical analysis of radiation data, but is problematic for identifying representative experiments for performing detailed analysis. Therefore, the intent of this paper is to select a subset of benchmark test data that can be considered for further detailed study. These benchmark shots are intended to provide more accessible data sets for future code validation studies and facility-to-facility comparisons. The shots that have been selected as benchmark data are the ones in closest agreement to a line of best fit through all of the EAST results, whilst also showing the best experimental characteristics, such as test time and convergence to equilibrium. The EAST data are presented in different formats for analysis. These data include the spectral radiance at equilibrium, the spatial dependence of radiance over defined wavelength ranges and the mean non-equilibrium spectral radiance (so-called 'spectral non-equilibrium metric'). All the information needed to simulate each experimental trace, including free-stream conditions, shock time of arrival (i.e. x-t) relation, and the spectral and spatial resolution functions, are provided.

  7. FY 2004 Top 200 Users Survey Report

    DTIC Science & Technology

    2004-10-01

    Rating 82% 79% 80% ACSI Federal Government Benchmark* 71.1% 70.2% 70.9% DTIC Excels by +10.9 +8.8 +9.1 *ACSI is the official service quality benchmark...ACSI Federal Government Benchmark* 71.1% 70.2% 70.9% DTIC Excels by +10.9 +8.8 +9.1 *ACSI is the official service quality benchmark for the Federal...Users Survey % DTIC’s Other Overall Product/ Service Quality and Performance: Not only were we able to ascertain product and service usage data from

  8. [Population data analysis of miniSTR loci: D10S1248, D14S1434 and D22S1045 in the Pomerania-Kujawy region of Poland].

    PubMed

    Kodroń, Agata; Rychlicka, Edyta; Milewska, Iwona; Woźniak, Marcin; Grzybowski, Tomasz

    2010-01-01

    This paper presents the allele frequencies and forensic parameters of the three miniSTR loci D10S1248, D14S1434 and D22S1045 in the Pomerania-Kujawy region of Poland. Genomic DNA was extracted by a standard phenol-chloroform extraction procedure. The three miniSTR loci D10S1248, D14S1434 and D22S1045 were amplified in a triplex polymerase chain reaction with the primer sets designed by Coble and Butler in a GeneAmp PCR System 9700 (Applied Biosystems). The amplified products were separated and detected by capillary electrophoresis on an ABI PRISM 3100 Genetic Analyzer (Applied Biosystems).The genotype frequency distributions showed no deviations from Hardy-Weinberg equilibrium expectations. The values of forensic parameters confirm that D10S1248 and D22S1045 are highly informative genetic markers, whereas D14S1434 is a moderately useful for forensic genetic identification purposes.

  9. Work Readiness Standards and Benchmarks: The Key to Differentiating America's Workforce and Regaining Global Competitiveness

    ERIC Educational Resources Information Center

    Clark, Hope

    2013-01-01

    In this report, ACT presents a definition of "work readiness" along with empirically driven ACT Work Readiness Standards and Benchmarks. The introduction of standards and benchmarks for workplace success provides a more complete picture of the factors that are important in establishing readiness for success throughout a lifetime. While…

  10. A Consumer's Guide to Benchmark Dose Models: Results of U.S. EPA Testing of 14 Dichotomous, 8 Continuous, and 6 Developmental Models (Presentation)

    EPA Science Inventory

    Benchmark dose risk assessment software (BMDS) was designed by EPA to generate dose-response curves and facilitate the analysis, interpretation and synthesis of toxicological data. Partial results of QA/QC testing of the EPA benchmark dose software (BMDS) are presented. BMDS pr...

  11. Singlet-catalyzed electroweak phase transitions in the 100 TeV frontier

    DOE PAGES

    Kotwal, Ashutosh V.; Ramsey-Musolf, Michael J.; No, Jose Miguel; ...

    2016-08-23

    We study the prospects for probing a gauge singlet scalar-driven strong first-order electroweak phase transition with a future proton-proton collider in the 100 TeV range. Singlet-Higgs mixing enables resonantly enhanced di-Higgs production, potentially aiding discovery prospects. We perform Monte Carlo scans of the parameter space to identify regions associated with a strong first-order electroweak phase transition, analyze the corresponding di-Higgs signal, and select a set of benchmark points that span the range of di-Higgs signal strengths. For the bmore » $$\\bar{b}$$γγ and 4τ final states, we investigate discovery prospects for each benchmark point for the high-luminosity phase of the Large Hadron Collider and for a future pp collider with s=50, 100, or 200 TeV. We find that any of these future collider scenarios could significantly extend the reach beyond that of the high-luminosity LHC, and that with s=100 TeV (200 TeV) and 30 ab -1, the full region of parameter space favorable to strong first-order electroweak phase transitions is almost fully (fully) discoverable.« less

  12. Relative Positioning of Ocean Bottom Benchmarks.

    DTIC Science & Technology

    1985-12-01

    SCHOOL Monterey, California IDTIC -" . % LECTE .! . ,/, : FEB 1 4 1g86J THESIS RELATIVE POSITIONING D- OF OCEAN BOTTOM BENCHMARKS by LFeng-Yu Kuo LA...December 1985 Thesis Advisors: N. K. Saxena S. P. Tucker Approved for public release; distribution unlimited. 86 2 1 4 25 UNCLASSIFIED - 1SECURITY...NO. 3. RECIPIENT’S CATALOG NUMBER 4. TITLE (and Subtitle) S. TYPE OF REPORT & PERIOD COVERED Relative Positioning Master’s Thesis ; of December 1985

  13. Space Operations Training Concepts Benchmark Study (Training in a Continuous Operations Environment)

    NASA Technical Reports Server (NTRS)

    Johnston, Alan E.; Gilchrist, Michael; Underwood, Debrah (Technical Monitor)

    2002-01-01

    The NASA/USAF Benchmark Space Operations Training Concepts Study will perform a comparative analysis of the space operations training programs utilized by the United States Air Force Space Command with those utilized by the National Aeronautics and Space Administration. The concentration of the study will be focused on Ground Controller/Flight Controller Training for the International Space Station Payload Program. The duration of the study is expected to be five months with report completion by 30 June 2002. The U.S. Air Force Space Command was chosen as the most likely candidate for this benchmark study because their experience in payload operations controller training and user interfaces compares favorably with the Payload Operations Integration Center's training and user interfaces. These similarities can be seen in the dynamics of missions/payloads, controller on-console requirements, and currency/proficiency challenges to name a few. It is expected that the report will look at the respective programs and investigate goals of each training program, unique training challenges posed by space operations ground controller environments, processes of setting up controller training programs, phases of controller training, methods of controller training, techniques to evaluate adequacy of controller knowledge and the training received, and approaches to training administration. The report will provide recommendations to the respective agencies based on the findings. Attached is a preliminary outline of the study. Following selection of participants and an approval to proceed, initial contact will be made with U.S. Air Force Space Command Directorate of Training to discuss steps to accomplish the study.

  14. MOTIVATION: Goals and Goal Setting

    ERIC Educational Resources Information Center

    Stratton, Richard K.

    2005-01-01

    Goal setting has great impact on a team's performance. Goals enable a team to synchronize their efforts to achieve success. In this article, the author talks about goals and goal setting. This articles complements Domain 5--Teaching and Communication (p.14) and discusses one of the benchmarks listed therein: "Teach the goal setting process and…

  15. Identifying future competitive business strategies for the U.S. furniture industry: Benchmarking and paradigm shifts

    Treesearch

    Albert Schuler; Urs Buehlmann

    2003-01-01

    This paper describes benchmarking activities undertaken to provide a basis for comparing the U.S. wood furniture industry with other nations that have a globally competitive furniture manufacturing industry. The second part of this paper outlines and discusses strategies that have the potential to help the U.S. furniture industry survive and thrive in a global business...

  16. ViSAPy: a Python tool for biophysics-based generation of virtual spiking activity for evaluation of spike-sorting algorithms.

    PubMed

    Hagen, Espen; Ness, Torbjørn V; Khosrowshahi, Amir; Sørensen, Christina; Fyhn, Marianne; Hafting, Torkel; Franke, Felix; Einevoll, Gaute T

    2015-04-30

    New, silicon-based multielectrodes comprising hundreds or more electrode contacts offer the possibility to record spike trains from thousands of neurons simultaneously. This potential cannot be realized unless accurate, reliable automated methods for spike sorting are developed, in turn requiring benchmarking data sets with known ground-truth spike times. We here present a general simulation tool for computing benchmarking data for evaluation of spike-sorting algorithms entitled ViSAPy (Virtual Spiking Activity in Python). The tool is based on a well-established biophysical forward-modeling scheme and is implemented as a Python package built on top of the neuronal simulator NEURON and the Python tool LFPy. ViSAPy allows for arbitrary combinations of multicompartmental neuron models and geometries of recording multielectrodes. Three example benchmarking data sets are generated, i.e., tetrode and polytrode data mimicking in vivo cortical recordings and microelectrode array (MEA) recordings of in vitro activity in salamander retinas. The synthesized example benchmarking data mimics salient features of typical experimental recordings, for example, spike waveforms depending on interspike interval. ViSAPy goes beyond existing methods as it includes biologically realistic model noise, synaptic activation by recurrent spiking networks, finite-sized electrode contacts, and allows for inhomogeneous electrical conductivities. ViSAPy is optimized to allow for generation of long time series of benchmarking data, spanning minutes of biological time, by parallel execution on multi-core computers. ViSAPy is an open-ended tool as it can be generalized to produce benchmarking data or arbitrary recording-electrode geometries and with various levels of complexity. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

  17. A Benchmarking Initiative for Reactive Transport Modeling Applied to Subsurface Environmental Applications

    NASA Astrophysics Data System (ADS)

    Steefel, C. I.

    2015-12-01

    Over the last 20 years, we have seen the evolution of multicomponent reactive transport modeling and the expanding range and increasing complexity of subsurface environmental applications it is being used to address. Reactive transport modeling is being asked to provide accurate assessments of engineering performance and risk for important issues with far-reaching consequences. As a result, the complexity and detail of subsurface processes, properties, and conditions that can be simulated have significantly expanded. Closed form solutions are necessary and useful, but limited to situations that are far simpler than typical applications that combine many physical and chemical processes, in many cases in coupled form. In the absence of closed form and yet realistic solutions for complex applications, numerical benchmark problems with an accepted set of results will be indispensable to qualifying codes for various environmental applications. The intent of this benchmarking exercise, now underway for more than five years, is to develop and publish a set of well-described benchmark problems that can be used to demonstrate simulator conformance with norms established by the subsurface science and engineering community. The objective is not to verify this or that specific code--the reactive transport codes play a supporting role in this regard—but rather to use the codes to verify that a common solution of the problem can be achieved. Thus, the objective of each of the manuscripts is to present an environmentally-relevant benchmark problem that tests the conceptual model capabilities, numerical implementation, process coupling, and accuracy. The benchmark problems developed to date include 1) microbially-mediated reactions, 2) isotopes, 3) multi-component diffusion, 4) uranium fate and transport, 5) metal mobility in mining affected systems, and 6) waste repositories and related aspects.

  18. Benchmarking GPU and CPU codes for Heisenberg spin glass over-relaxation

    NASA Astrophysics Data System (ADS)

    Bernaschi, M.; Parisi, G.; Parisi, L.

    2011-06-01

    We present a set of possible implementations for Graphics Processing Units (GPU) of the Over-relaxation technique applied to the 3D Heisenberg spin glass model. The results show that a carefully tuned code can achieve more than 100 GFlops/s of sustained performance and update a single spin in about 0.6 nanoseconds. A multi-hit technique that exploits the GPU shared memory further reduces this time. Such results are compared with those obtained by means of a highly-tuned vector-parallel code on latest generation multi-core CPUs.

  19. Benchmarking high performance computing architectures with CMS’ skeleton framework

    NASA Astrophysics Data System (ADS)

    Sexton-Kennedy, E.; Gartung, P.; Jones, C. D.

    2017-10-01

    In 2012 CMS evaluated which underlying concurrency technology would be the best to use for its multi-threaded framework. The available technologies were evaluated on the high throughput computing systems dominating the resources in use at that time. A skeleton framework benchmarking suite that emulates the tasks performed within a CMSSW application was used to select Intel’s Thread Building Block library, based on the measured overheads in both memory and CPU on the different technologies benchmarked. In 2016 CMS will get access to high performance computing resources that use new many core architectures; machines such as Cori Phase 1&2, Theta, Mira. Because of this we have revived the 2012 benchmark to test it’s performance and conclusions on these new architectures. This talk will discuss the results of this exercise.

  20. Species management benchmarking: outcomes over outputs in a changing operating environment.

    PubMed

    Hogg, Carolyn J; Hibbard, Chris; Ford, Claire; Embury, Amanda

    2013-03-01

    Species management has been utilized by the zoo and aquarium industry, since the mid-1990s, to ensure the ongoing genetic and demographic viability of populations, which can be difficult to maintain in the ever-changing operating environments of zoos. In 2009, the Zoo and Aquarium Association Australasia reviewed their species management services, focusing on addressing issues that had arisen as a result of the managed programs maturing and operating environments evolving. In summary, the project examined resourcing, policies, processes, and species to be managed. As a result, a benchmarking tool was developed (Health Check Report, HCR), which evaluated the programs against a set of broad criteria. A comparison of managed programs (n = 98), between 2008 and 2011, was undertaken to ascertain the tool's effectiveness. There was a marked decrease in programs that were designated as weak (37 down to 13); and an increase in excellent programs (24 up to 49) between the 2 years. Further, there were significant improvements in the administration benchmarking area (submission of reports, captive management plan development) across a number of taxon advisory groups. This HCR comparison showed that a benchmarking tool enables a program's performance to be quickly assessed and any remedial measures applied. The increases observed in program health were mainly due to increased management goals being attained. The HCR will be an ongoing program, as the management of the programs increases and goals are achieved, criteria will be refined to better highlight ongoing issues and ways in which these can be resolved. © 2012 Wiley Periodicals, Inc.

  1. A Field-Based Aquatic Life Benchmark for Conductivity in ...

    EPA Pesticide Factsheets

    EPA announced the availability of the final report, A Field-Based Aquatic Life Benchmark for Conductivity in Central Appalachian Streams. This report describes a method to characterize the relationship between the extirpation (the effective extinction) of invertebrate genera and salinity (measured as conductivity) and from that relationship derives a freshwater aquatic life benchmark. This benchmark of 300 µS/cm may be applied to waters in Appalachian streams that are dominated by calcium and magnesium salts of sulfate and bicarbonate at circum-neutral to mildly alkaline pH. This report provides scientific evidence for a conductivity benchmark in a specific region rather than for the entire United States.

  2. Benchmarking wastewater treatment plants under an eco-efficiency perspective.

    PubMed

    Lorenzo-Toja, Yago; Vázquez-Rowe, Ian; Amores, María José; Termes-Rifé, Montserrat; Marín-Navarro, Desirée; Moreira, María Teresa; Feijoo, Gumersindo

    2016-10-01

    The new ISO 14045 framework is expected to slowly start shifting the definition of eco-efficiency toward a life-cycle perspective, using Life Cycle Assessment (LCA) as the environmental impact assessment method together with a system value assessment method for the economic analysis. In the present study, a set of 22 wastewater treatment plants (WWTPs) in Spain were analyzed on the basis of eco-efficiency criteria, using LCA and Life Cycle Costing (LCC) as a system value assessment method. The study is intended to be useful to decision-makers in the wastewater treatment sector, since the combined method provides an alternative scheme for analyzing the relationship between environmental impacts and costs. Two midpoint impact categories, global warming and eutrophication potential, as well as an endpoint single score indicator were used for the environmental assessment, while LCC was used for value assessment. Results demonstrated that substantial differences can be observed between different WWTPs depending on a wide range of factors such as plant configuration, plant size or even legal discharge limits. Based on these results the benchmarking of wastewater treatment facilities was performed by creating a specific classification and certification scheme. The proposed eco-label for the WWTPs rating is based on the integration of the three environmental indicators and an economic indicator calculated within the study under the eco-efficiency new framework. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets.

    PubMed

    Manna, Debashree; Kesharwani, Manoj K; Sylvetsky, Nitai; Martin, Jan M L

    2017-07-11

    Benchmark ab initio energies for BEGDB and WATER27 data sets have been re-examined at the MP2 and CCSD(T) levels with both conventional and explicitly correlated (F12) approaches. The basis set convergence of both conventional and explicitly correlated methods has been investigated in detail, both with and without counterpoise corrections. For the MP2 and CCSD-MP2 contributions, rapid basis set convergence observed with explicitly correlated methods is compared to conventional methods. However, conventional, orbital-based calculations are preferred for the calculation of the (T) term, since it does not benefit from F12. CCSD(F12*) converges somewhat faster with the basis set than CCSD-F12b for the CCSD-MP2 term. The performance of various DFT methods is also evaluated for the BEGDB data set, and results show that Head-Gordon's ωB97X-V and ωB97M-V functionals outperform all other DFT functionals. Counterpoise-corrected DSD-PBEP86 and raw DSD-PBEPBE-NL also perform well and are close to MP2 results. In the WATER27 data set, the anionic (deprotonated) water clusters exhibit unacceptably slow basis set convergence with the regular cc-pVnZ-F12 basis sets, which have only diffuse s and p functions. To overcome this, we have constructed modified basis sets, denoted aug-cc-pVnZ-F12 or aVnZ-F12, which have been augmented with diffuse functions on the higher angular momenta. The calculated final dissociation energies of BEGDB and WATER27 data sets are available in the Supporting Information. Our best calculated dissociation energies can be reproduced through n-body expansion, provided one pushes to the basis set and electron correlation limit for the two-body term; for the three-body term, post-MP2 contributions (particularly CCSD-MP2) are important for capturing the three-body dispersion effects. Terms beyond four-body can be adequately captured at the MP2-F12 level.

  4. The limitations of simple gene set enrichment analysis assuming gene independence.

    PubMed

    Tamayo, Pablo; Steinhardt, George; Liberzon, Arthur; Mesirov, Jill P

    2016-02-01

    Since its first publication in 2003, the Gene Set Enrichment Analysis method, based on the Kolmogorov-Smirnov statistic, has been heavily used, modified, and also questioned. Recently a simplified approach using a one-sample t-test score to assess enrichment and ignoring gene-gene correlations was proposed by Irizarry et al. 2009 as a serious contender. The argument criticizes Gene Set Enrichment Analysis's nonparametric nature and its use of an empirical null distribution as unnecessary and hard to compute. We refute these claims by careful consideration of the assumptions of the simplified method and its results, including a comparison with Gene Set Enrichment Analysis's on a large benchmark set of 50 datasets. Our results provide strong empirical evidence that gene-gene correlations cannot be ignored due to the significant variance inflation they produced on the enrichment scores and should be taken into account when estimating gene set enrichment significance. In addition, we discuss the challenges that the complex correlation structure and multi-modality of gene sets pose more generally for gene set enrichment methods. © The Author(s) 2012.

  5. RASSP Benchmark 4 Technical Description.

    DTIC Science & Technology

    1998-01-09

    be carried out. Based on results of the study, an implementation of all, or part, of the system described in this benchmark technical description...validate interface and timing constraints. The ISA level of modeling defines the limit of detail expected in the VHDL virtual prototype. It does not...develop a set of candidate architectures and perform an architecture trade-off study. Candidate proces- sor implementations must then be examined for

  6. Building Bridges Between Geoscience and Data Science through Benchmark Data Sets

    NASA Astrophysics Data System (ADS)

    Thompson, D. R.; Ebert-Uphoff, I.; Demir, I.; Gel, Y.; Hill, M. C.; Karpatne, A.; Güereque, M.; Kumar, V.; Cabral, E.; Smyth, P.

    2017-12-01

    The changing nature of observational field data demands richer and more meaningful collaboration between data scientists and geoscientists. Thus, among other efforts, the Working Group on Case Studies of the NSF-funded RCN on Intelligent Systems Research To Support Geosciences (IS-GEO) is developing a framework to strengthen such collaborations through the creation of benchmark datasets. Benchmark datasets provide an interface between disciplines without requiring extensive background knowledge. The goals are to create (1) a means for two-way communication between geoscience and data science researchers; (2) new collaborations, which may lead to new approaches for data analysis in the geosciences; and (3) a public, permanent repository of complex data sets, representative of geoscience problems, useful to coordinate efforts in research and education. The group identified 10 key elements and characteristics for ideal benchmarks. High impact: A problem with high potential impact. Active research area: A group of geoscientists should be eager to continue working on the topic. Challenge: The problem should be challenging for data scientists. Data science generality and versatility: It should stimulate development of new general and versatile data science methods. Rich information content: Ideally the data set provides stimulus for analysis at many different levels. Hierarchical problem statement: A hierarchy of suggested analysis tasks, from relatively straightforward to open-ended tasks. Means for evaluating success: Data scientists and geoscientists need means to evaluate whether the algorithms are successful and achieve intended purpose. Quick start guide: Introduction for data scientists on how to easily read the data to enable rapid initial data exploration. Geoscience context: Summary for data scientists of the specific data collection process, instruments used, any pre-processing and the science questions to be answered. Citability: A suitable identifier to facilitate tracking the use of the benchmark later on, e.g. allowing search engines to find all research papers using it. A first sample benchmark developed in collaboration with the Jet Propulsion Laboratory (JPL) deals with the automatic analysis of imaging spectrometer data to detect significant methane sources in the atmosphere.

  7. Mathematical model and metaheuristics for simultaneous balancing and sequencing of a robotic mixed-model assembly line

    NASA Astrophysics Data System (ADS)

    Li, Zixiang; Janardhanan, Mukund Nilakantan; Tang, Qiuhua; Nielsen, Peter

    2018-05-01

    This article presents the first method to simultaneously balance and sequence robotic mixed-model assembly lines (RMALB/S), which involves three sub-problems: task assignment, model sequencing and robot allocation. A new mixed-integer programming model is developed to minimize makespan and, using CPLEX solver, small-size problems are solved for optimality. Two metaheuristics, the restarted simulated annealing algorithm and co-evolutionary algorithm, are developed and improved to address this NP-hard problem. The restarted simulated annealing method replaces the current temperature with a new temperature to restart the search process. The co-evolutionary method uses a restart mechanism to generate a new population by modifying several vectors simultaneously. The proposed algorithms are tested on a set of benchmark problems and compared with five other high-performing metaheuristics. The proposed algorithms outperform their original editions and the benchmarked methods. The proposed algorithms are able to solve the balancing and sequencing problem of a robotic mixed-model assembly line effectively and efficiently.

  8. A new numerical benchmark for variably saturated variable-density flow and transport in porous media

    NASA Astrophysics Data System (ADS)

    Guevara, Carlos; Graf, Thomas

    2016-04-01

    In subsurface hydrological systems, spatial and temporal variations in solute concentration and/or temperature may affect fluid density and viscosity. These variations could lead to potentially unstable situations, in which a dense fluid overlies a less dense fluid. These situations could produce instabilities that appear as dense plume fingers migrating downwards counteracted by vertical upwards flow of freshwater (Simmons et al., Transp. Porous Medium, 2002). As a result of unstable variable-density flow, solute transport rates are increased over large distances and times as compared to constant-density flow. The numerical simulation of variable-density flow in saturated and unsaturated media requires corresponding benchmark problems against which a computer model is validated (Diersch and Kolditz, Adv. Water Resour, 2002). Recorded data from a laboratory-scale experiment of variable-density flow and solute transport in saturated and unsaturated porous media (Simmons et al., Transp. Porous Medium, 2002) is used to define a new numerical benchmark. The HydroGeoSphere code (Therrien et al., 2004) coupled with PEST (www.pesthomepage.org) are used to obtain an optimized parameter set capable of adequately representing the data set by Simmons et al., (2002). Fingering in the numerical model is triggered using random hydraulic conductivity fields. Due to the inherent randomness, a large number of simulations were conducted in this study. The optimized benchmark model adequately predicts the plume behavior and the fate of solutes. This benchmark is useful for model verification of variable-density flow problems in saturated and/or unsaturated media.

  9. SU-E-T-148: Benchmarks and Pre-Treatment Reviews: A Study of Quality Assurance Effectiveness

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

    Lowenstein, J; Nguyen, H; Roll, J

    Purpose: To determine the impact benchmarks and pre-treatment reviews have on improving the quality of submitted clinical trial data. Methods: Benchmarks are used to evaluate a site’s ability to develop a treatment that meets a specific protocol’s treatment guidelines prior to placing their first patient on the protocol. A pre-treatment review is an actual patient placed on the protocol in which the dosimetry and contour volumes are evaluated to be per protocol guidelines prior to allowing the beginning of the treatment. A key component of these QA mechanisms is that sites are provided timely feedback to educate them on howmore » to plan per the protocol and prevent protocol deviations on patients accrued to a protocol. For both benchmarks and pre-treatment reviews a dose volume analysis (DVA) was performed using MIM softwareTM. For pre-treatment reviews a volume contour evaluation was also performed. Results: IROC Houston performed a QA effectiveness analysis of a protocol which required both benchmarks and pre-treatment reviews. In 70 percent of the patient cases submitted, the benchmark played an effective role in assuring that the pre-treatment review of the cases met protocol requirements. The 35 percent of sites failing the benchmark subsequently modified there planning technique to pass the benchmark before being allowed to submit a patient for pre-treatment review. However, in 30 percent of the submitted cases the pre-treatment review failed where the majority (71 percent) failed the DVA. 20 percent of sites submitting patients failed to correct their dose volume discrepancies indicated by the benchmark case. Conclusion: Benchmark cases and pre-treatment reviews can be an effective QA tool to educate sites on protocol guidelines and to minimize deviations. Without the benchmark cases it is possible that 65 percent of the cases undergoing a pre-treatment review would have failed to meet the protocols requirements.Support: U24-CA-180803.« less

  10. Standardised Benchmarking in the Quest for Orthologs

    PubMed Central

    Altenhoff, Adrian M.; Boeckmann, Brigitte; Capella-Gutierrez, Salvador; Dalquen, Daniel A.; DeLuca, Todd; Forslund, Kristoffer; Huerta-Cepas, Jaime; Linard, Benjamin; Pereira, Cécile; Pryszcz, Leszek P.; Schreiber, Fabian; Sousa da Silva, Alan; Szklarczyk, Damian; Train, Clément-Marie; Bork, Peer; Lecompte, Odile; von Mering, Christian; Xenarios, Ioannis; Sjölander, Kimmen; Juhl Jensen, Lars; Martin, Maria J.; Muffato, Matthieu; Gabaldón, Toni; Lewis, Suzanna E.; Thomas, Paul D.; Sonnhammer, Erik; Dessimoz, Christophe

    2016-01-01

    The identification of evolutionarily related genes across different species—orthologs in particular—forms the backbone of many comparative, evolutionary, and functional genomic analyses. Achieving high accuracy in orthology inference is thus essential. Yet the true evolutionary history of genes, required to ascertain orthology, is generally unknown. Furthermore, orthologs are used for very different applications across different phyla, with different requirements in terms of the precision-recall trade-off. As a result, assessing the performance of orthology inference methods remains difficult for both users and method developers. Here, we present a community effort to establish standards in orthology benchmarking and facilitate orthology benchmarking through an automated web-based service (http://orthology.benchmarkservice.org). Using this new service, we characterise the performance of 15 well-established orthology inference methods and resources on a battery of 20 different benchmarks. Standardised benchmarking provides a way for users to identify the most effective methods for the problem at hand, sets a minimal requirement for new tools and resources, and guides the development of more accurate orthology inference methods. PMID:27043882

  11. Benchmarking CRISPR on-target sgRNA design.

    PubMed

    Yan, Jifang; Chuai, Guohui; Zhou, Chi; Zhu, Chenyu; Yang, Jing; Zhang, Chao; Gu, Feng; Xu, Han; Wei, Jia; Liu, Qi

    2017-02-15

    CRISPR (Clustered Regularly Interspaced Short Palindromic Repeats)-based gene editing has been widely implemented in various cell types and organisms. A major challenge in the effective application of the CRISPR system is the need to design highly efficient single-guide RNA (sgRNA) with minimal off-target cleavage. Several tools are available for sgRNA design, while limited tools were compared. In our opinion, benchmarking the performance of the available tools and indicating their applicable scenarios are important issues. Moreover, whether the reported sgRNA design rules are reproducible across different sgRNA libraries, cell types and organisms remains unclear. In our study, a systematic and unbiased benchmark of the sgRNA predicting efficacy was performed on nine representative on-target design tools, based on six benchmark data sets covering five different cell types. The benchmark study presented here provides novel quantitative insights into the available CRISPR tools. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  12. Advances and trends in the development of computational models for tires

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Tanner, J. A.

    1985-01-01

    Status and some recent developments of computational models for tires are summarized. Discussion focuses on a number of aspects of tire modeling and analysis including: tire materials and their characterization; evolution of tire models; characteristics of effective finite element models for analyzing tires; analysis needs for tires; and impact of the advances made in finite element technology, computational algorithms, and new computing systems on tire modeling and analysis. An initial set of benchmark problems has been proposed in concert with the U.S. tire industry. Extensive sets of experimental data will be collected for these problems and used for evaluating and validating different tire models. Also, the new Aircraft Landing Dynamics Facility (ALDF) at NASA Langley Research Center is described.

  13. Journal Benchmarking for Strategic Publication Management and for Improving Journal Positioning in the World Ranking Systems

    ERIC Educational Resources Information Center

    Moskovkin, Vladimir M.; Bocharova, Emilia A.; Balashova, Oksana V.

    2014-01-01

    Purpose: The purpose of this paper is to introduce and develop the methodology of journal benchmarking. Design/Methodology/ Approach: The journal benchmarking method is understood to be an analytic procedure of continuous monitoring and comparing of the advance of specific journal(s) against that of competing journals in the same subject area,…

  14. Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database

    PubMed Central

    Butkiewicz, Mariusz; Lowe, Edward W.; Mueller, Ralf; Mendenhall, Jeffrey L.; Teixeira, Pedro L.; Weaver, C. David; Meiler, Jens

    2013-01-01

    With the rapidly increasing availability of High-Throughput Screening (HTS) data in the public domain, such as the PubChem database, methods for ligand-based computer-aided drug discovery (LB-CADD) have the potential to accelerate and reduce the cost of probe development and drug discovery efforts in academia. We assemble nine data sets from realistic HTS campaigns representing major families of drug target proteins for benchmarking LB-CADD methods. Each data set is public domain through PubChem and carefully collated through confirmation screens validating active compounds. These data sets provide the foundation for benchmarking a new cheminformatics framework BCL::ChemInfo, which is freely available for non-commercial use. Quantitative structure activity relationship (QSAR) models are built using Artificial Neural Networks (ANNs), Support Vector Machines (SVMs), Decision Trees (DTs), and Kohonen networks (KNs). Problem-specific descriptor optimization protocols are assessed including Sequential Feature Forward Selection (SFFS) and various information content measures. Measures of predictive power and confidence are evaluated through cross-validation, and a consensus prediction scheme is tested that combines orthogonal machine learning algorithms into a single predictor. Enrichments ranging from 15 to 101 for a TPR cutoff of 25% are observed. PMID:23299552

  15. Understanding and using quality information for quality improvement: The effect of information presentation.

    PubMed

    Zwijnenberg, Nicolien C; Hendriks, Michelle; Delnoij, Diana M J; de Veer, Anke J E; Spreeuwenberg, Peter; Wagner, Cordula

    2016-12-01

    To examine how information presentation affects the understanding and use of information for quality improvement. An experimental design, testing 22 formats, and showing information on patient safety culture. Formats differed in visualization, outcomes and benchmark information. Respondents viewed three randomly selected presentation formats in an online survey, completing several tasks per format. The hospital sector in the Netherlands. A volunteer sample of healthcare professionals, mainly nurses, working in hospitals. Main Outcome Measure(s): The degree to which information is understandable and usable (accurate choice for quality improvement, sense of urgency to change and appraisal of one's own performance). About 115 healthcare professionals participated (response rate 25%), resulting in 345 reviews. Information in tables (P = 0.007) and bar charts (P < 0.0001) was better understood than radars. Presenting outcomes on a 5-point scale (P < 0.001) or as '% positive responders' (P < 0.001) was better understood than '% negative responders'. Formats without benchmarks were better understood than formats with benchmarks. Use: Bar charts resulted in more accurate choices than tables (P = 0.003) and radars (P < 0.001). Outcomes on a 5-point scale resulted in more accurate choices than '% negative responders' (P = 0.007). Presenting '% positive responders' resulted in a higher sense of urgency to change than outcomes on a 5-point scale (P = 0.002). Benchmark information had inconsistent effects on the appraisal of one's own performances. Information presentation affects healthcare professionals' understanding and use of quality information. Our findings supplement the further understanding on how quality information can be best communicated to healthcare professionals for realizing quality improvements. © The Author 2016. Published by Oxford University Press in association with the International Society for Quality in Health Care. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com

  16. featsel: A framework for benchmarking of feature selection algorithms and cost functions

    NASA Astrophysics Data System (ADS)

    Reis, Marcelo S.; Estrela, Gustavo; Ferreira, Carlos Eduardo; Barrera, Junior

    In this paper, we introduce featsel, a framework for benchmarking of feature selection algorithms and cost functions. This framework allows the user to deal with the search space as a Boolean lattice and has its core coded in C++ for computational efficiency purposes. Moreover, featsel includes Perl scripts to add new algorithms and/or cost functions, generate random instances, plot graphs and organize results into tables. Besides, this framework already comes with dozens of algorithms and cost functions for benchmarking experiments. We also provide illustrative examples, in which featsel outperforms the popular Weka workbench in feature selection procedures on data sets from the UCI Machine Learning Repository.

  17. Benchmark Testing of a New 56Fe Evaluation for Criticality Safety Applications

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

    Leal, Luiz C; Ivanov, E.

    2015-01-01

    The SAMMY code was used to evaluate resonance parameters of the 56Fe cross section in the resolved resonance energy range of 0–2 MeV using transmission data, capture, elastic, inelastic, and double differential elastic cross sections. The resonance analysis was performed with the code SAMMY that fits R-matrix resonance parameters using the generalized least-squares technique (Bayes’ theory). The evaluation yielded a set of resonance parameters that reproduced the experimental data very well, along with a resonance parameter covariance matrix for data uncertainty calculations. Benchmark tests were conducted to assess the evaluation performance in benchmark calculations.

  18. Career performance trajectories of Olympic swimmers: benchmarks for talent development.

    PubMed

    Allen, Sian V; Vandenbogaerde, Tom J; Hopkins, William G

    2014-01-01

    The age-related progression of elite athletes to their career-best performances can provide benchmarks for talent development. The purpose of this study was to model career performance trajectories of Olympic swimmers to develop these benchmarks. We searched the Web for annual best times of swimmers who were top 16 in pool events at the 2008 or 2012 Olympics, from each swimmer's earliest available competitive performance through to 2012. There were 6959 times in the 13 events for each sex, for 683 swimmers, with 10 ± 3 performances per swimmer (mean ± s). Progression to peak performance was tracked with individual quadratic trajectories derived using a mixed linear model that included adjustments for better performance in Olympic years and for the use of full-body polyurethane swimsuits in 2009. Analysis of residuals revealed appropriate fit of quadratic trends to the data. The trajectories provided estimates of age of peak performance and the duration of the age window of trivial improvement and decline around the peak. Men achieved peak performance later than women (24.2 ± 2.1 vs. 22.5 ± 2.4 years), while peak performance occurred at later ages for the shorter distances for both sexes (∼1.5-2.0 years between sprint and distance-event groups). Men and women had a similar duration in the peak-performance window (2.6 ± 1.5 years) and similar progressions to peak performance over four years (2.4 ± 1.2%) and eight years (9.5 ± 4.8%). These data provide performance targets for swimmers aiming to achieve elite-level performance.

  19. Applicability domains for classification problems: benchmarking of distance to models for AMES mutagenicity set

    EPA Science Inventory

    For QSAR and QSPR modeling of biological and physicochemical properties, estimating the accuracy of predictions is a critical problem. The “distance to model” (DM) can be defined as a metric that defines the similarity between the training set molecules and the test set compound ...

  20. Nonparametric estimation of benchmark doses in environmental risk assessment

    PubMed Central

    Piegorsch, Walter W.; Xiong, Hui; Bhattacharya, Rabi N.; Lin, Lizhen

    2013-01-01

    Summary An important statistical objective in environmental risk analysis is estimation of minimum exposure levels, called benchmark doses (BMDs), that induce a pre-specified benchmark response in a dose-response experiment. In such settings, representations of the risk are traditionally based on a parametric dose-response model. It is a well-known concern, however, that if the chosen parametric form is misspecified, inaccurate and possibly unsafe low-dose inferences can result. We apply a nonparametric approach for calculating benchmark doses, based on an isotonic regression method for dose-response estimation with quantal-response data (Bhattacharya and Kong, 2007). We determine the large-sample properties of the estimator, develop bootstrap-based confidence limits on the BMDs, and explore the confidence limits’ small-sample properties via a short simulation study. An example from cancer risk assessment illustrates the calculations. PMID:23914133

  1. Fisk-based criteria to support validation of detection methods for drinking water and air.

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

    MacDonell, M.; Bhattacharyya, M.; Finster, M.

    2009-02-18

    This report was prepared to support the validation of analytical methods for threat contaminants under the U.S. Environmental Protection Agency (EPA) National Homeland Security Research Center (NHSRC) program. It is designed to serve as a resource for certain applications of benchmark and fate information for homeland security threat contaminants. The report identifies risk-based criteria from existing health benchmarks for drinking water and air for potential use as validation targets. The focus is on benchmarks for chronic public exposures. The priority sources are standard EPA concentration limits for drinking water and air, along with oral and inhalation toxicity values. Many contaminantsmore » identified as homeland security threats to drinking water or air would convert to other chemicals within minutes to hours of being released. For this reason, a fate analysis has been performed to identify potential transformation products and removal half-lives in air and water so appropriate forms can be targeted for detection over time. The risk-based criteria presented in this report to frame method validation are expected to be lower than actual operational targets based on realistic exposures following a release. Note that many target criteria provided in this report are taken from available benchmarks without assessing the underlying toxicological details. That is, although the relevance of the chemical form and analogues are evaluated, the toxicological interpretations and extrapolations conducted by the authoring organizations are not. It is also important to emphasize that such targets in the current analysis are not health-based advisory levels to guide homeland security responses. This integrated evaluation of chronic public benchmarks and contaminant fate has identified more than 200 risk-based criteria as method validation targets across numerous contaminants and fate products in drinking water and air combined. The gap in directly applicable values is considerable across the full set of threat contaminants, so preliminary indicators were developed from other well-documented benchmarks to serve as a starting point for validation efforts. By this approach, at least preliminary context is available for water or air, and sometimes both, for all chemicals on the NHSRC list that was provided for this evaluation. This means that a number of concentrations presented in this report represent indirect measures derived from related benchmarks or surrogate chemicals, as described within the many results tables provided in this report.« less

  2. A Comparison of Web-Based Standard Setting and Monitored Standard Setting.

    ERIC Educational Resources Information Center

    Harvey, Anne L.; Way, Walter D.

    Standard setting, when carefully done, can be an expensive and time-consuming process. The modified Angoff method and the benchmark method, as utilized in this study, employ representative panels of judges to provide recommended passing scores to standard setting decision-makers. It has been considered preferable to have the judges meet in a…

  3. Using Kentucky State Standards as Benchmarks: Quantifying Incoming Ed.S. Students' Knowledge as They Journey toward Principalship

    ERIC Educational Resources Information Center

    Hearn, Jessica E.

    2015-01-01

    Principal preparation programs in Kentucky can use the items in the Dispositions, Dimensions, and Functions for School Leaders (EPSB, 2008) as mastery benchmarks to quantify incoming Educational Specialist (Ed.S) students' perceived level of mastery. This can serve both internal and external purposes by providing diagnostic feedback to students…

  4. Benchmarking high performance computing architectures with CMS’ skeleton framework

    DOE PAGES

    Sexton-Kennedy, E.; Gartung, P.; Jones, C. D.

    2017-11-23

    Here, in 2012 CMS evaluated which underlying concurrency technology would be the best to use for its multi-threaded framework. The available technologies were evaluated on the high throughput computing systems dominating the resources in use at that time. A skeleton framework benchmarking suite that emulates the tasks performed within a CMSSW application was used to select Intel’s Thread Building Block library, based on the measured overheads in both memory and CPU on the different technologies benchmarked. In 2016 CMS will get access to high performance computing resources that use new many core architectures; machines such as Cori Phase 1&2, Theta,more » Mira. Because of this we have revived the 2012 benchmark to test it’s performance and conclusions on these new architectures. This talk will discuss the results of this exercise.« less

  5. Benchmarking high performance computing architectures with CMS’ skeleton framework

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

    Sexton-Kennedy, E.; Gartung, P.; Jones, C. D.

    Here, in 2012 CMS evaluated which underlying concurrency technology would be the best to use for its multi-threaded framework. The available technologies were evaluated on the high throughput computing systems dominating the resources in use at that time. A skeleton framework benchmarking suite that emulates the tasks performed within a CMSSW application was used to select Intel’s Thread Building Block library, based on the measured overheads in both memory and CPU on the different technologies benchmarked. In 2016 CMS will get access to high performance computing resources that use new many core architectures; machines such as Cori Phase 1&2, Theta,more » Mira. Because of this we have revived the 2012 benchmark to test it’s performance and conclusions on these new architectures. This talk will discuss the results of this exercise.« less

  6. Recent Additions for 1998

    EPA Science Inventory

    December 22, 1998
    Benchmark Dose Software

    December 16, 1998
    VizieR Online Data Catalog: Effective collision strengths of Si VII (Sossah+, 2014)

    NASA Astrophysics Data System (ADS)

    Sossah, A. M.; Tayal, S. S.

    2017-08-01

    The purpose of present work is to calculate more accurate data for Si VII by using highly accurate target descriptions and by including a sufficient number of target states in the close-coupling expansion. We also included fine-structure effects in the close-coupling expansions to account for the relativistic effects. We used the B-spline Breit-Pauli R-matrix (BSR) codes (Zatsarinny 2006CoPhC.174..273Z) in our scattering calculations. The present method utilizes the term-dependent non-orthogonal orbital sets for the description of the target wave functions and scattering functions. The collisional and radiative parameters have been calculated for all forbidden and allowed transitions between the lowest 92 LSJ levels of 2s22p4, 2s2p5, 2p6, 2s22p33s, 2s22p33p, 2s22p33d, and 2s2p43s configurations of Si VII. (3 data files).

  7. Benchmark Intelligent Agent Systems for Distributed Battle Tracking

    DTIC Science & Technology

    2008-06-20

    services in the military and other domains, each entity in the benchmark system exposes a standard set of Web services. Jess ( Java Expert Shell...System) is a rule engine for the Java platform and is an interpreter for the Jess rule language. It is used here to implement policies that maintain...battle tracking system (DBTS), maintaining distributed situation awareness. The Java Agent DEvelopment (JADE) framework is a software framework

  8. Managing for Results in America's Great City Schools 2014: Results from Fiscal Year 2012-13. A Report of the Performance Measurement and Benchmarking Project

    ERIC Educational Resources Information Center

    Council of the Great City Schools, 2014

    2014-01-01

    In 2002 the "Council of the Great City Schools" and its members set out to develop performance measures that could be used to improve business operations in urban public school districts. The Council launched the "Performance Measurement and Benchmarking Project" to achieve these objectives. The purposes of the project was to:…

  9. Curriculum-Based Measurement of Oral Reading: An Evaluation of Growth Rates and Seasonal Effects among Students Served in General and Special Education

    ERIC Educational Resources Information Center

    Christ, Theodore J.; Silberglitt, Benjamin; Yeo, Seungsoo; Cormier, Damien

    2010-01-01

    Curriculum-based measurement of oral reading (CBM-R) is often used to benchmark growth in the fall, winter, and spring. CBM-R is also used to set goals and monitor student progress between benchmarking occasions. The results of previous research establish an expectation that weekly growth on CBM-R tasks is consistently linear throughout the…

  10. PPI4DOCK: large scale assessment of the use of homology models in free docking over more than 1000 realistic targets.

    PubMed

    Yu, Jinchao; Guerois, Raphaël

    2016-12-15

    Protein-protein docking methods are of great importance for understanding interactomes at the structural level. It has become increasingly appealing to use not only experimental structures but also homology models of unbound subunits as input for docking simulations. So far we are missing a large scale assessment of the success of rigid-body free docking methods on homology models. We explored how we could benefit from comparative modelling of unbound subunits to expand docking benchmark datasets. Starting from a collection of 3157 non-redundant, high X-ray resolution heterodimers, we developed the PPI4DOCK benchmark containing 1417 docking targets based on unbound homology models. Rigid-body docking by Zdock showed that for 1208 cases (85.2%), at least one correct decoy was generated, emphasizing the efficiency of rigid-body docking in generating correct assemblies. Overall, the PPI4DOCK benchmark contains a large set of realistic cases and provides new ground for assessing docking and scoring methodologies. Benchmark sets can be downloaded from http://biodev.cea.fr/interevol/ppi4dock/ CONTACT: guerois@cea.frSupplementary information: Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  11. Evaluation of the Pool Critical Assembly Benchmark with Explicitly-Modeled Geometry using MCNP6

    DOE PAGES

    Kulesza, Joel A.; Martz, Roger Lee

    2017-03-01

    Despite being one of the most widely used benchmarks for qualifying light water reactor (LWR) radiation transport methods and data, no benchmark calculation of the Oak Ridge National Laboratory (ORNL) Pool Critical Assembly (PCA) pressure vessel wall benchmark facility (PVWBF) using MCNP6 with explicitly modeled core geometry exists. As such, this paper provides results for such an analysis. First, a criticality calculation is used to construct the fixed source term. Next, ADVANTG-generated variance reduction parameters are used within the final MCNP6 fixed source calculations. These calculations provide unadjusted dosimetry results using three sets of dosimetry reaction cross sections of varyingmore » ages (those packaged with MCNP6, from the IRDF-2002 multi-group library, and from the ACE-formatted IRDFF v1.05 library). These results are then compared to two different sets of measured reaction rates. The comparison agrees in an overall sense within 2% and on a specific reaction- and dosimetry location-basis within 5%. Except for the neptunium dosimetry, the individual foil raw calculation-to-experiment comparisons usually agree within 10% but is typically greater than unity. Finally, in the course of developing these calculations, geometry that has previously not been completely specified is provided herein for the convenience of future analysts.« less

  12. Benchmarking the cost efficiency of community care in Australian child and adolescent mental health services: implications for future benchmarking.

    PubMed

    Furber, Gareth; Brann, Peter; Skene, Clive; Allison, Stephen

    2011-06-01

    The purpose of this study was to benchmark the cost efficiency of community care across six child and adolescent mental health services (CAMHS) drawn from different Australian states. Organizational, contact and outcome data from the National Mental Health Benchmarking Project (NMHBP) data-sets were used to calculate cost per "treatment hour" and cost per episode for the six participating organizations. We also explored the relationship between intake severity as measured by the Health of the Nations Outcome Scales for Children and Adolescents (HoNOSCA) and cost per episode. The average cost per treatment hour was $223, with cost differences across the six services ranging from a mean of $156 to $273 per treatment hour. The average cost per episode was $3349 (median $1577) and there were significant differences in the CAMHS organizational medians ranging from $388 to $7076 per episode. HoNOSCA scores explained at best 6% of the cost variance per episode. These large cost differences indicate that community CAMHS have the potential to make substantial gains in cost efficiency through collaborative benchmarking. Benchmarking forums need considerable financial and business expertise for detailed comparison of business models for service provision.

  13. A large-scale benchmark of gene prioritization methods.

    PubMed

    Guala, Dimitri; Sonnhammer, Erik L L

    2017-04-21

    In order to maximize the use of results from high-throughput experimental studies, e.g. GWAS, for identification and diagnostics of new disease-associated genes, it is important to have properly analyzed and benchmarked gene prioritization tools. While prospective benchmarks are underpowered to provide statistically significant results in their attempt to differentiate the performance of gene prioritization tools, a strategy for retrospective benchmarking has been missing, and new tools usually only provide internal validations. The Gene Ontology(GO) contains genes clustered around annotation terms. This intrinsic property of GO can be utilized in construction of robust benchmarks, objective to the problem domain. We demonstrate how this can be achieved for network-based gene prioritization tools, utilizing the FunCoup network. We use cross-validation and a set of appropriate performance measures to compare state-of-the-art gene prioritization algorithms: three based on network diffusion, NetRank and two implementations of Random Walk with Restart, and MaxLink that utilizes network neighborhood. Our benchmark suite provides a systematic and objective way to compare the multitude of available and future gene prioritization tools, enabling researchers to select the best gene prioritization tool for the task at hand, and helping to guide the development of more accurate methods.

  14. Reliable B Cell Epitope Predictions: Impacts of Method Development and Improved Benchmarking

    PubMed Central

    Kringelum, Jens Vindahl; Lundegaard, Claus; Lund, Ole; Nielsen, Morten

    2012-01-01

    The interaction between antibodies and antigens is one of the most important immune system mechanisms for clearing infectious organisms from the host. Antibodies bind to antigens at sites referred to as B-cell epitopes. Identification of the exact location of B-cell epitopes is essential in several biomedical applications such as; rational vaccine design, development of disease diagnostics and immunotherapeutics. However, experimental mapping of epitopes is resource intensive making in silico methods an appealing complementary approach. To date, the reported performance of methods for in silico mapping of B-cell epitopes has been moderate. Several issues regarding the evaluation data sets may however have led to the performance values being underestimated: Rarely, all potential epitopes have been mapped on an antigen, and antibodies are generally raised against the antigen in a given biological context not against the antigen monomer. Improper dealing with these aspects leads to many artificial false positive predictions and hence to incorrect low performance values. To demonstrate the impact of proper benchmark definitions, we here present an updated version of the DiscoTope method incorporating a novel spatial neighborhood definition and half-sphere exposure as surface measure. Compared to other state-of-the-art prediction methods, Discotope-2.0 displayed improved performance both in cross-validation and in independent evaluations. Using DiscoTope-2.0, we assessed the impact on performance when using proper benchmark definitions. For 13 proteins in the training data set where sufficient biological information was available to make a proper benchmark redefinition, the average AUC performance was improved from 0.791 to 0.824. Similarly, the average AUC performance on an independent evaluation data set improved from 0.712 to 0.727. Our results thus demonstrate that given proper benchmark definitions, B-cell epitope prediction methods achieve highly significant predictive performances suggesting these tools to be a powerful asset in rational epitope discovery. The updated version of DiscoTope is available at www.cbs.dtu.dk/services/DiscoTope-2.0. PMID:23300419

  15. Open-source platform to benchmark fingerprints for ligand-based virtual screening

    PubMed Central

    2013-01-01

    Similarity-search methods using molecular fingerprints are an important tool for ligand-based virtual screening. A huge variety of fingerprints exist and their performance, usually assessed in retrospective benchmarking studies using data sets with known actives and known or assumed inactives, depends largely on the validation data sets used and the similarity measure used. Comparing new methods to existing ones in any systematic way is rather difficult due to the lack of standard data sets and evaluation procedures. Here, we present a standard platform for the benchmarking of 2D fingerprints. The open-source platform contains all source code, structural data for the actives and inactives used (drawn from three publicly available collections of data sets), and lists of randomly selected query molecules to be used for statistically valid comparisons of methods. This allows the exact reproduction and comparison of results for future studies. The results for 12 standard fingerprints together with two simple baseline fingerprints assessed by seven evaluation methods are shown together with the correlations between methods. High correlations were found between the 12 fingerprints and a careful statistical analysis showed that only the two baseline fingerprints were different from the others in a statistically significant way. High correlations were also found between six of the seven evaluation methods, indicating that despite their seeming differences, many of these methods are similar to each other. PMID:23721588

  16. Toxicological Benchmarks for Screening of Potential Contaminants of Concern for Effects on Aquatic Biota on the Oak Ridge Reservation, Oak Ridge, Tennessee

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

    Suter, G.W., II

    1993-01-01

    One of the initial stages in ecological risk assessment of hazardous waste sites is the screening of contaminants to determine which, if any, of them are worthy of further consideration; this process is termed contaminant screening. Screening is performed by comparing concentrations in ambient media to benchmark concentrations that are either indicative of a high likelihood of significant effects (upper screening benchmarks) or of a very low likelihood of significant effects (lower screening benchmarks). Exceedance of an upper screening benchmark indicates that the chemical in question is clearly of concern and remedial actions are likely to be needed. Exceedance ofmore » a lower screening benchmark indicates that a contaminant is of concern unless other information indicates that the data are unreliable or the comparison is inappropriate. Chemicals with concentrations below the lower benchmark are not of concern if the ambient data are judged to be adequate. This report presents potential screening benchmarks for protection of aquatic life from contaminants in water. Because there is no guidance for screening benchmarks, a set of alternative benchmarks is presented herein. The alternative benchmarks are based on different conceptual approaches to estimating concentrations causing significant effects. For the upper screening benchmark, there are the acute National Ambient Water Quality Criteria (NAWQC) and the Secondary Acute Values (SAV). The SAV concentrations are values estimated with 80% confidence not to exceed the unknown acute NAWQC for those chemicals with no NAWQC. The alternative chronic benchmarks are the chronic NAWQC, the Secondary Chronic Value (SCV), the lowest chronic values for fish and daphnids, the lowest EC20 for fish and daphnids from chronic toxicity tests, the estimated EC20 for a sensitive species, and the concentration estimated to cause a 20% reduction in the recruit abundance of largemouth bass. It is recommended that ambient chemical concentrations be compared to all of these benchmarks. If NAWQC are exceeded, the chemicals must be contaminants of concern because the NAWQC are applicable or relevant and appropriate requirements (ARARs). If NAWQC are not exceeded, but other benchmarks are, contaminants should be selected on the basis of the number of benchmarks exceeded and the conservatism of the particular benchmark values, as discussed in the text. To the extent that toxicity data are available, this report presents the alternative benchmarks for chemicals that have been detected on the Oak Ridge Reservation. It also presents the data used to calculate the benchmarks and the sources of the data. It compares the benchmarks and discusses their relative conservatism and utility. This report supersedes a prior aquatic benchmarks report (Suter and Mabrey 1994). It adds two new types of benchmarks. It also updates the benchmark values where appropriate, adds some new benchmark values, replaces secondary sources with primary sources, and provides more complete documentation of the sources and derivation of all values.« less

  17. ICSBEP Benchmarks For Nuclear Data Applications

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

    Briggs, J. Blair

    2005-05-24

    The International Criticality Safety Benchmark Evaluation Project (ICSBEP) was initiated in 1992 by the United States Department of Energy. The ICSBEP became an official activity of the Organization for Economic Cooperation and Development (OECD) -- Nuclear Energy Agency (NEA) in 1995. Representatives from the United States, United Kingdom, France, Japan, the Russian Federation, Hungary, Republic of Korea, Slovenia, Serbia and Montenegro (formerly Yugoslavia), Kazakhstan, Spain, Israel, Brazil, Poland, and the Czech Republic are now participating. South Africa, India, China, and Germany are considering participation. The purpose of the ICSBEP is to identify, evaluate, verify, and formally document a comprehensive andmore » internationally peer-reviewed set of criticality safety benchmark data. The work of the ICSBEP is published as an OECD handbook entitled ''International Handbook of Evaluated Criticality Safety Benchmark Experiments.'' The 2004 Edition of the Handbook contains benchmark specifications for 3331 critical or subcritical configurations that are intended for use in validation efforts and for testing basic nuclear data. New to the 2004 Edition of the Handbook is a draft criticality alarm / shielding type benchmark that should be finalized in 2005 along with two other similar benchmarks. The Handbook is being used extensively for nuclear data testing and is expected to be a valuable resource for code and data validation and improvement efforts for decades to come. Specific benchmarks that are useful for testing structural materials such as iron, chromium, nickel, and manganese; beryllium; lead; thorium; and 238U are highlighted.« less

  18. Determining the sample size required to establish whether a medical device is non-inferior to an external benchmark.

    PubMed

    Sayers, Adrian; Crowther, Michael J; Judge, Andrew; Whitehouse, Michael R; Blom, Ashley W

    2017-08-28

    The use of benchmarks to assess the performance of implants such as those used in arthroplasty surgery is a widespread practice. It provides surgeons, patients and regulatory authorities with the reassurance that implants used are safe and effective. However, it is not currently clear how or how many implants should be statistically compared with a benchmark to assess whether or not that implant is superior, equivalent, non-inferior or inferior to the performance benchmark of interest.We aim to describe the methods and sample size required to conduct a one-sample non-inferiority study of a medical device for the purposes of benchmarking. Simulation study. Simulation study of a national register of medical devices. We simulated data, with and without a non-informative competing risk, to represent an arthroplasty population and describe three methods of analysis (z-test, 1-Kaplan-Meier and competing risks) commonly used in surgical research. We evaluate the performance of each method using power, bias, root-mean-square error, coverage and CI width. 1-Kaplan-Meier provides an unbiased estimate of implant net failure, which can be used to assess if a surgical device is non-inferior to an external benchmark. Small non-inferiority margins require significantly more individuals to be at risk compared with current benchmarking standards. A non-inferiority testing paradigm provides a useful framework for determining if an implant meets the required performance defined by an external benchmark. Current contemporary benchmarking standards have limited power to detect non-inferiority, and substantially larger samples sizes, in excess of 3200 procedures, are required to achieve a power greater than 60%. It is clear when benchmarking implant performance, net failure estimated using 1-KM is preferential to crude failure estimated by competing risk models. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

  19. Bis(O-ethyl dithio­carbonato-κ2 S,S′)bis­(pyridine-3-carbonitrile-κN 1)nickel(II)

    PubMed Central

    Kapoor, Sanjay; Kour, Ramandeep; Sachar, Renu; Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini

    2012-01-01

    The Ni2+ ion in the title complex, [Ni(C3H5OS2)2(C6H4N2)2], is in a strongly distorted octa­hedral coordination environment formed by an N2S4 donor set, with the Ni2+ ion located on a centre of inversion. In the crystal, weak C—H⋯S and C—H⋯N inter­actions are observed. PMID:22259356

  1. Assessment of the Accuracy of the Bethe-Salpeter (BSE/GW) Oscillator Strengths.

    PubMed

    Jacquemin, Denis; Duchemin, Ivan; Blondel, Aymeric; Blase, Xavier

    2016-08-09

    Aiming to assess the accuracy of the oscillator strengths determined at the BSE/GW level, we performed benchmark calculations using three complementary sets of molecules. In the first, we considered ∼80 states in Thiel's set of compounds and compared the BSE/GW oscillator strengths to recently determined ADC(3/2) and CC3 reference values. The second set includes the oscillator strengths of the low-lying states of 80 medium to large dyes for which we have determined CC2/aug-cc-pVTZ values. The third set contains 30 anthraquinones for which experimental oscillator strengths are available. We find that BSE/GW accurately reproduces the trends for all series with excellent correlation coefficients to the benchmark data and generally very small errors. Indeed, for Thiel's sets, the BSE/GW values are more accurate (using CC3 references) than both CC2 and ADC(3/2) values on both absolute and relative scales. For all three sets, BSE/GW errors also tend to be nicely spread with almost equal numbers of positive and negative deviations as compared to reference values.

  2. Variation in assessment and standard setting practices across UK undergraduate medicine and the need for a benchmark.

    PubMed

    MacDougall, Margaret

    2015-10-31

    The principal aim of this study is to provide an account of variation in UK undergraduate medical assessment styles and corresponding standard setting approaches with a view to highlighting the importance of a UK national licensing exam in recognizing a common standard. Using a secure online survey system, response data were collected during the period 13 - 30 January 2014 from selected specialists in medical education assessment, who served as representatives for their respective medical schools. Assessment styles and corresponding choices of standard setting methods vary markedly across UK medical schools. While there is considerable consensus on the application of compensatory approaches, individual schools display their own nuances through use of hybrid assessment and standard setting styles, uptake of less popular standard setting techniques and divided views on norm referencing. The extent of variation in assessment and standard setting practices across UK medical schools validates the concern that there is a lack of evidence that UK medical students achieve a common standard on graduation. A national licensing exam is therefore a viable option for benchmarking the performance of all UK undergraduate medical students.

  3. Benchmarking protein-protein interface predictions: why you should care about protein size.

    PubMed

    Martin, Juliette

    2014-07-01

    A number of predictive methods have been developed to predict protein-protein binding sites. Each new method is traditionally benchmarked using sets of protein structures of various sizes, and global statistics are used to assess the quality of the prediction. Little attention has been paid to the potential bias due to protein size on these statistics. Indeed, small proteins involve proportionally more residues at interfaces than large ones. If a predictive method is biased toward small proteins, this can lead to an over-estimation of its performance. Here, we investigate the bias due to the size effect when benchmarking protein-protein interface prediction on the widely used docking benchmark 4.0. First, we simulate random scores that favor small proteins over large ones. Instead of the 0.5 AUC (Area Under the Curve) value expected by chance, these biased scores result in an AUC equal to 0.6 using hypergeometric distributions, and up to 0.65 using constant scores. We then use real prediction results to illustrate how to detect the size bias by shuffling, and subsequently correct it using a simple conversion of the scores into normalized ranks. In addition, we investigate the scores produced by eight published methods and show that they are all affected by the size effect, which can change their relative ranking. The size effect also has an impact on linear combination scores by modifying the relative contributions of each method. In the future, systematic corrections should be applied when benchmarking predictive methods using data sets with mixed protein sizes. © 2014 Wiley Periodicals, Inc.

  4. Using a visual plate waste study to monitor menu performance.

    PubMed

    Connors, Priscilla L; Rozell, Sarah B

    2004-01-01

    Two visual plate waste studies were conducted in 1-week phases over a 1-year period in an acute care hospital. A total of 383 trays were evaluated in the first phase and 467 in the second. Food items were ranked for consumption from a low (1) to high (6) score, with a score of 4.0 set as the benchmark denoting a minimum level of acceptable consumption. In the first phase two entrees, four starches, all of the vegetables, sliced white bread, and skim milk scored below the benchmark. As a result six menu items were replaced and one was modified. In the second phase all entrees scored at or above 4.0, as did seven vegetables, and a dinner roll that replaced sliced white bread. Skim milk continued to score below the benchmark. A visual plate waste study assists in benchmarking performance, planning menu changes, and assessing effectiveness.

  5. Results of the GABLS3 diurnal-cycle benchmark for wind energy applications

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

    Rodrigo, J. Sanz; Allaerts, D.; Avila, M.

    We present results of the GABLS3 model intercomparison benchmark revisited for wind energy applications. The case consists of a diurnal cycle, measured at the 200-m tall Cabauw tower in the Netherlands, including a nocturnal low-level jet. The benchmark includes a sensitivity analysis of WRF simulations using two input meteorological databases and five planetary boundary-layer schemes. A reference set of mesoscale tendencies is used to drive microscale simulations using RANS k-ϵ and LES turbulence models. The validation is based on rotor-based quantities of interest. Cycle-integrated mean absolute errors are used to quantify model performance. The results of the benchmark are usedmore » to discuss input uncertainties from mesoscale modelling, different meso-micro coupling strategies (online vs offline) and consistency between RANS and LES codes when dealing with boundary-layer mean flow quantities. Altogether, all the microscale simulations produce a consistent coupling with mesoscale forcings.« less

  6. Results of the GABLS3 diurnal-cycle benchmark for wind energy applications

    DOE PAGES

    Rodrigo, J. Sanz; Allaerts, D.; Avila, M.; ...

    2017-06-13

    We present results of the GABLS3 model intercomparison benchmark revisited for wind energy applications. The case consists of a diurnal cycle, measured at the 200-m tall Cabauw tower in the Netherlands, including a nocturnal low-level jet. The benchmark includes a sensitivity analysis of WRF simulations using two input meteorological databases and five planetary boundary-layer schemes. A reference set of mesoscale tendencies is used to drive microscale simulations using RANS k-ϵ and LES turbulence models. The validation is based on rotor-based quantities of interest. Cycle-integrated mean absolute errors are used to quantify model performance. The results of the benchmark are usedmore » to discuss input uncertainties from mesoscale modelling, different meso-micro coupling strategies (online vs offline) and consistency between RANS and LES codes when dealing with boundary-layer mean flow quantities. Altogether, all the microscale simulations produce a consistent coupling with mesoscale forcings.« less

  7. MIPS bacterial genomes functional annotation benchmark dataset.

    PubMed

    Tetko, Igor V; Brauner, Barbara; Dunger-Kaltenbach, Irmtraud; Frishman, Goar; Montrone, Corinna; Fobo, Gisela; Ruepp, Andreas; Antonov, Alexey V; Surmeli, Dimitrij; Mewes, Hans-Wernen

    2005-05-15

    Any development of new methods for automatic functional annotation of proteins according to their sequences requires high-quality data (as benchmark) as well as tedious preparatory work to generate sequence parameters required as input data for the machine learning methods. Different program settings and incompatible protocols make a comparison of the analyzed methods difficult. The MIPS Bacterial Functional Annotation Benchmark dataset (MIPS-BFAB) is a new, high-quality resource comprising four bacterial genomes manually annotated according to the MIPS functional catalogue (FunCat). These resources include precalculated sequence parameters, such as sequence similarity scores, InterPro domain composition and other parameters that could be used to develop and benchmark methods for functional annotation of bacterial protein sequences. These data are provided in XML format and can be used by scientists who are not necessarily experts in genome annotation. BFAB is available at http://mips.gsf.de/proj/bfab

  8. Benchmarking an Unstructured-Grid Model for Tsunami Current Modeling

    NASA Astrophysics Data System (ADS)

    Zhang, Yinglong J.; Priest, George; Allan, Jonathan; Stimely, Laura

    2016-12-01

    We present model results derived from a tsunami current benchmarking workshop held by the NTHMP (National Tsunami Hazard Mitigation Program) in February 2015. Modeling was undertaken using our own 3D unstructured-grid model that has been previously certified by the NTHMP for tsunami inundation. Results for two benchmark tests are described here, including: (1) vortex structure in the wake of a submerged shoal and (2) impact of tsunami waves on Hilo Harbor in the 2011 Tohoku event. The modeled current velocities are compared with available lab and field data. We demonstrate that the model is able to accurately capture the velocity field in the two benchmark tests; in particular, the 3D model gives a much more accurate wake structure than the 2D model for the first test, with the root-mean-square error and mean bias no more than 2 cm s-1 and 8 mm s-1, respectively, for the modeled velocity.

  9. Cataract surgery practices in the United States Veterans Health Administration.

    PubMed

    Havnaer, Annika G; Greenberg, Paul B; Cockerham, Glenn C; Clark, Melissa A; Chomsky, Amy

    2017-04-01

    To describe current cataract surgery practices within the United States Veterans Health Administration (VHA). Veterans Health Administration hospitals in the U.S. Retrospective data analysis. An initial e-mail containing a link to an anonymous 32-question survey of cataract surgery practices was sent to participants in May 2016. Two reminder e-mails were sent to nonresponders 1 week and 2 weeks after the initial survey was sent; the remaining nonresponders were called twice over a 2-week period. The data were analyzed using descriptive statistics. The response rate was 75% (67/89). Cataract surgeons routinely ordered preoperative testing in 29 (45%) of 65 sections and preoperative consultations in 26 (39%) of 66 sections. In 22 (33%) of 66 sections, cataract surgeons administered intracameral antibiotics. In 61 (92%) of 66 sections, cataract surgeons used toric intraocular lenses (IOLs). In 20 (30%) of 66 sections, cataract surgeons used multifocal IOLs. Cataract surgeons in 6 (9%) of 66 sections performed femtosecond laser-assisted cataract surgery. In 6 (9%) of 66 sections, cataract surgeons performed immediate sequential bilateral cataract surgery. Forty-nine (74%) ophthalmology chiefs reported a high level of satisfaction with Veterans Affairs ophthalmology. The survey results indicate that in cataract surgery in the VHA, routine preoperative testing is commonly performed and emerging practices, such as femtosecond laser-assisted cataract surgery and immediate sequential bilateral cataract surgery, have limited roles. The results of this survey could benchmark future trends in U.S. cataract surgery practices, especially in teaching hospital settings. Copyright © 2017 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

  10. Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive.

    PubMed

    Beauchamp, Kyle A; Behr, Julie M; Rustenburg, Ariën S; Bayly, Christopher I; Kroenlein, Kenneth; Chodera, John D

    2015-10-08

    Atomistic molecular simulations are a powerful way to make quantitative predictions, but the accuracy of these predictions depends entirely on the quality of the force field employed. Although experimental measurements of fundamental physical properties offer a straightforward approach for evaluating force field quality, the bulk of this information has been tied up in formats that are not machine-readable. Compiling benchmark data sets of physical properties from non-machine-readable sources requires substantial human effort and is prone to the accumulation of human errors, hindering the development of reproducible benchmarks of force-field accuracy. Here, we examine the feasibility of benchmarking atomistic force fields against the NIST ThermoML data archive of physicochemical measurements, which aggregates thousands of experimental measurements in a portable, machine-readable, self-annotating IUPAC-standard format. As a proof of concept, we present a detailed benchmark of the generalized Amber small-molecule force field (GAFF) using the AM1-BCC charge model against experimental measurements (specifically, bulk liquid densities and static dielectric constants at ambient pressure) automatically extracted from the archive and discuss the extent of data available for use in larger scale (or continuously performed) benchmarks. The results of even this limited initial benchmark highlight a general problem with fixed-charge force fields in the representation low-dielectric environments, such as those seen in binding cavities or biological membranes.

  11. Benchmarking: a method for continuous quality improvement in health.

    PubMed

    Ettorchi-Tardy, Amina; Levif, Marie; Michel, Philippe

    2012-05-01

    Benchmarking, a management approach for implementing best practices at best cost, is a recent concept in the healthcare system. The objectives of this paper are to better understand the concept and its evolution in the healthcare sector, to propose an operational definition, and to describe some French and international experiences of benchmarking in the healthcare sector. To this end, we reviewed the literature on this approach's emergence in the industrial sector, its evolution, its fields of application and examples of how it has been used in the healthcare sector. Benchmarking is often thought to consist simply of comparing indicators and is not perceived in its entirety, that is, as a tool based on voluntary and active collaboration among several organizations to create a spirit of competition and to apply best practices. The key feature of benchmarking is its integration within a comprehensive and participatory policy of continuous quality improvement (CQI). Conditions for successful benchmarking focus essentially on careful preparation of the process, monitoring of the relevant indicators, staff involvement and inter-organizational visits. Compared to methods previously implemented in France (CQI and collaborative projects), benchmarking has specific features that set it apart as a healthcare innovation. This is especially true for healthcare or medical-social organizations, as the principle of inter-organizational visiting is not part of their culture. Thus, this approach will need to be assessed for feasibility and acceptability before it is more widely promoted.

  12. Benchmarking of venous thromboembolism prophylaxis practice with ENT.UK guidelines.

    PubMed

    Al-Qahtani, Ali S

    2017-05-01

    The aim of this study was to benchmark our guidelines of prevention of venous thromboembolism (VTE) in ENT surgical population against ENT.UK guidelines, and also to encourage healthcare providers to utilize benchmarking as an effective method of improving performance. The study design is prospective descriptive analysis. The setting of this study is tertiary referral centre (Assir Central Hospital, Abha, Saudi Arabia). In this study, we are benchmarking our practice guidelines of the prevention of VTE in the ENT surgical population against that of ENT.UK guidelines to mitigate any gaps. ENT guidelines 2010 were downloaded from the ENT.UK Website. Our guidelines were compared with the possibilities that either our performance meets or fall short of ENT.UK guidelines. Immediate corrective actions will take place if there is quality chasm between the two guidelines. ENT.UK guidelines are evidence-based and updated which may serve as role-model for adoption and benchmarking. Our guidelines were accordingly amended to contain all factors required in providing a quality service to ENT surgical patients. While not given appropriate attention, benchmarking is a useful tool in improving quality of health care. It allows learning from others' practices and experiences, and works towards closing any quality gaps. In addition, benchmarking clinical outcomes is critical for quality improvement and informing decisions concerning service provision. It is recommended to be included on the list of quality improvement methods of healthcare services.

  13. NAS Grid Benchmarks. 1.0

    NASA Technical Reports Server (NTRS)

    VanderWijngaart, Rob; Frumkin, Michael; Biegel, Bryan A. (Technical Monitor)

    2002-01-01

    We provide a paper-and-pencil specification of a benchmark suite for computational grids. It is based on the NAS (NASA Advanced Supercomputing) Parallel Benchmarks (NPB) and is called the NAS Grid Benchmarks (NGB). NGB problems are presented as data flow graphs encapsulating an instance of a slightly modified NPB task in each graph node, which communicates with other nodes by sending/receiving initialization data. Like NPB, NGB specifies several different classes (problem sizes). In this report we describe classes S, W, and A, and provide verification values for each. The implementor has the freedom to choose any language, grid environment, security model, fault tolerance/error correction mechanism, etc., as long as the resulting implementation passes the verification test and reports the turnaround time of the benchmark.

  14. Sequoia Messaging Rate Benchmark

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

    Friedley, Andrew

    2008-01-22

    The purpose of this benchmark is to measure the maximal message rate of a single compute node. The first num_cores ranks are expected to reside on the 'core' compute node for which message rate is being tested. After that, the next num_nbors ranks are neighbors for the first core rank, the next set of num_nbors ranks are neighbors for the second core rank, and so on. For example, testing an 8-core node (num_cores = 8) with 4 neighbors (num_nbors = 4) requires 8 + 8 * 4 - 40 ranks. The first 8 of those 40 ranks are expected tomore » be on the 'core' node being benchmarked, while the rest of the ranks are on separate nodes.« less

  15. Groundwater-quality data in the Santa Cruz, San Gabriel, and Peninsular Ranges Hard Rock Aquifers study unit, 2011-2012: results from the California GAMA program

    USGS Publications Warehouse

    Davis, Tracy A.; Shelton, Jennifer L.

    2014-01-01

    Results for constituents with nonregulatory benchmarks set for aesthetic concerns showed that iron concentrations greater than the CDPH secondary maximum contaminant level (SMCL-CA) of 300 μg/L were detected in samples from 19 grid wells. Manganese concentrations greater than the SMCL-CA of 50 μg/L were detected in 27 grid wells. Chloride was detected at a concentration greater than the SMCL-CA upper benchmark of 500 mg/L in one grid well. TDS concentrations in three grid wells were greater than the SMCL-CA upper benchmark of 1,000 mg/L.

  16. A Web-Based System for Bayesian Benchmark Dose Estimation.

    PubMed

    Shao, Kan; Shapiro, Andrew J

    2018-01-11

    Benchmark dose (BMD) modeling is an important step in human health risk assessment and is used as the default approach to identify the point of departure for risk assessment. A probabilistic framework for dose-response assessment has been proposed and advocated by various institutions and organizations; therefore, a reliable tool is needed to provide distributional estimates for BMD and other important quantities in dose-response assessment. We developed an online system for Bayesian BMD (BBMD) estimation and compared results from this software with U.S. Environmental Protection Agency's (EPA's) Benchmark Dose Software (BMDS). The system is built on a Bayesian framework featuring the application of Markov chain Monte Carlo (MCMC) sampling for model parameter estimation and BMD calculation, which makes the BBMD system fundamentally different from the currently prevailing BMD software packages. In addition to estimating the traditional BMDs for dichotomous and continuous data, the developed system is also capable of computing model-averaged BMD estimates. A total of 518 dichotomous and 108 continuous data sets extracted from the U.S. EPA's Integrated Risk Information System (IRIS) database (and similar databases) were used as testing data to compare the estimates from the BBMD and BMDS programs. The results suggest that the BBMD system may outperform the BMDS program in a number of aspects, including fewer failed BMD and BMDL calculations and estimates. The BBMD system is a useful alternative tool for estimating BMD with additional functionalities for BMD analysis based on most recent research. Most importantly, the BBMD has the potential to incorporate prior information to make dose-response modeling more reliable and can provide distributional estimates for important quantities in dose-response assessment, which greatly facilitates the current trend for probabilistic risk assessment. https://doi.org/10.1289/EHP1289.

  17. 77 FR 22668 - Amendment to the International Traffic in Arms Regulations: International Import Certificate BIS...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-17

    ... DEPARTMENT OF STATE 22 CFR Parts 120 and 123 RIN 1400-AC85 [Public Notice: 7846] Amendment to the... Reduction Act, 44 U.S.C. chapter 35. List of Subjects in 22 CFR Parts 120 and 123 Arms and munitions, Exports. Accordingly, for the reasons set forth above, Title 22, Chapter I, Subchapter M, parts 120 and...

  18. IN VITRO DETERMINATION OF KINETIC CONSTANTS FOR 1,3-DICHLOROPROPANE, 2,2-DICHLOROPROPANE, AND 1,1-DICHLOROPROPENE IN RAT LIVER MICROSOMES AND CYTOSOL

    EPA Science Inventory

    The Safe Drinking Water Act requires the U.S. EPA to establish a list of contaminants to aid in priority setting for the Agency's drinking water program. The 1998 Contaminant Candidate List (CCL) designated 1,3-Dichloropropane (1,3-DCP), 2,2-dichloropropane (2,2-DCP), and 1,1-...

  19. Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.

    PubMed

    Curutchet, Carles; Cupellini, Lorenzo; Kongsted, Jacob; Corni, Stefano; Frediani, Luca; Steindal, Arnfinn Hykkerud; Guido, Ciro A; Scalmani, Giovanni; Mennucci, Benedetta

    2018-03-13

    Mixed multiscale quantum/molecular mechanics (QM/MM) models are widely used to explore the structure, reactivity, and electronic properties of complex chemical systems. Whereas such models typically include electrostatics and potentially polarization in so-called electrostatic and polarizable embedding approaches, respectively, nonelectrostatic dispersion and repulsion interactions are instead commonly described through classical potentials despite their quantum mechanical origin. Here we present an extension of the Tkatchenko-Scheffler semiempirical van der Waals (vdW TS ) scheme aimed at describing dispersion and repulsion interactions between quantum and classical regions within a QM/MM polarizable embedding framework. Starting from the vdW TS expression, we define a dispersion and a repulsion term, both of them density-dependent and consistently based on a Lennard-Jones-like potential. We explore transferable atom type-based parametrization strategies for the MM parameters, based on either vdW TS calculations performed on isolated fragments or on a direct estimation of the parameters from atomic polarizabilities taken from a polarizable force field. We investigate the performance of the implementation by computing self-consistent interaction energies for the S22 benchmark set, designed to represent typical noncovalent interactions in biological systems, in both equilibrium and out-of-equilibrium geometries. Overall, our results suggest that the present implementation is a promising strategy to include dispersion and repulsion in multiscale QM/MM models incorporating their explicit dependence on the electronic density.

  20. Comparative study on gene set and pathway topology-based enrichment methods.

    PubMed

    Bayerlová, Michaela; Jung, Klaus; Kramer, Frank; Klemm, Florian; Bleckmann, Annalen; Beißbarth, Tim

    2015-10-22

    Enrichment analysis is a popular approach to identify pathways or sets of genes which are significantly enriched in the context of differentially expressed genes. The traditional gene set enrichment approach considers a pathway as a simple gene list disregarding any knowledge of gene or protein interactions. In contrast, the new group of so called pathway topology-based methods integrates the topological structure of a pathway into the analysis. We comparatively investigated gene set and pathway topology-based enrichment approaches, considering three gene set and four topological methods. These methods were compared in two extensive simulation studies and on a benchmark of 36 real datasets, providing the same pathway input data for all methods. In the benchmark data analysis both types of methods showed a comparable ability to detect enriched pathways. The first simulation study was conducted with KEGG pathways, which showed considerable gene overlaps between each other. In this study with original KEGG pathways, none of the topology-based methods outperformed the gene set approach. Therefore, a second simulation study was performed on non-overlapping pathways created by unique gene IDs. Here, methods accounting for pathway topology reached higher accuracy than the gene set methods, however their sensitivity was lower. We conducted one of the first comprehensive comparative works on evaluating gene set against pathway topology-based enrichment methods. The topological methods showed better performance in the simulation scenarios with non-overlapping pathways, however, they were not conclusively better in the other scenarios. This suggests that simple gene set approach might be sufficient to detect an enriched pathway under realistic circumstances. Nevertheless, more extensive studies and further benchmark data are needed to systematically evaluate these methods and to assess what gain and cost pathway topology information introduces into enrichment analysis. Both types of methods for enrichment analysis require further improvements in order to deal with the problem of pathway overlaps.

  1. Comparing the performance of two CBIRS indexing schemes

    NASA Astrophysics Data System (ADS)

    Mueller, Wolfgang; Robbert, Guenter; Henrich, Andreas

    2003-01-01

    Content based image retrieval (CBIR) as it is known today has to deal with a number of challenges. Quickly summarized, the main challenges are firstly, to bridge the semantic gap between high-level concepts and low-level features using feedback, secondly to provide performance under adverse conditions. High-dimensional spaces, as well as a demanding machine learning task make the right way of indexing an important issue. When indexing multimedia data, most groups opt for extraction of high-dimensional feature vectors from the data, followed by dimensionality reduction like PCA (Principal Components Analysis) or LSI (Latent Semantic Indexing). The resulting vectors are indexed using spatial indexing structures such as kd-trees or R-trees, for example. Other projects, such as MARS and Viper propose the adaptation of text indexing techniques, notably the inverted file. Here, the Viper system is the most direct adaptation of text retrieval techniques to quantized vectors. However, while the Viper query engine provides decent performance together with impressive user-feedback behavior, as well as the possibility for easy integration of long-term learning algorithms, and support for potentially infinite feature vectors, there has been no comparison of vector-based methods and inverted-file-based methods under similar conditions. In this publication, we compare a CBIR query engine that uses inverted files (Bothrops, a rewrite of the Viper query engine based on a relational database), and a CBIR query engine based on LSD (Local Split Decision) trees for spatial indexing using the same feature sets. The Benchathlon initiative works on providing a set of images and ground truth for simulating image queries by example and corresponding user feedback. When performing the Benchathlon benchmark on a CBIR system (the System Under Test, SUT), a benchmarking harness connects over internet to the SUT, performing a number of queries using an agreed-upon protocol, the multimedia retrieval markup language (MRML). Using this benchmark one can measure the quality of retrieval, as well as the overall (speed) performance of the benchmarked system. Our Benchmarks will draw on the Benchathlon"s work for documenting the retrieval performance of both inverted file-based and LSD tree based techniques. However in addition to these results, we will present statistics, that can be obtained only inside the system under test. These statistics will include the number of complex mathematical operations, as well as the amount of data that has to be read from disk during operation of a query.

  2. Benchmarking facilities providing care: An international overview of initiatives

    PubMed Central

    Thonon, Frédérique; Watson, Jonathan; Saghatchian, Mahasti

    2015-01-01

    We performed a literature review of existing benchmarking projects of health facilities to explore (1) the rationales for those projects, (2) the motivation for health facilities to participate, (3) the indicators used and (4) the success and threat factors linked to those projects. We studied both peer-reviewed and grey literature. We examined 23 benchmarking projects of different medical specialities. The majority of projects used a mix of structure, process and outcome indicators. For some projects, participants had a direct or indirect financial incentive to participate (such as reimbursement by Medicaid/Medicare or litigation costs related to quality of care). A positive impact was reported for most projects, mainly in terms of improvement of practice and adoption of guidelines and, to a lesser extent, improvement in communication. Only 1 project reported positive impact in terms of clinical outcomes. Success factors and threats are linked to both the benchmarking process (such as organisation of meetings, link with existing projects) and indicators used (such as adjustment for diagnostic-related groups). The results of this review will help coordinators of a benchmarking project to set it up successfully. PMID:26770800

  3. 77 FR 4238 - Advisory Committee Management

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-27

    ... DEPARTMENT OF STATE 22 CFR Part 8 RIN 1400-AC64 [Public Notice 7773] Advisory Committee Management.... Appendix, agency heads are required to establish uniform administrative guidelines and management controls... Committee Management. Accordingly, under the authority of 22 U.S.C. 2651a, for the reasons set forth in the...

  4. Benchmarking the GW Approximation and Bethe–Salpeter Equation for Groups IB and IIB Atoms and Monoxides

    DOE PAGES

    Hung, Linda; Bruneval, Fabien; Baishya, Kopinjol; ...

    2017-04-07

    Energies from the GW approximation and the Bethe–Salpeter equation (BSE) are benchmarked against the excitation energies of transition-metal (Cu, Zn, Ag, and Cd) single atoms and monoxide anions. We demonstrate that best estimates of GW quasiparticle energies at the complete basis set limit should be obtained via extrapolation or closure relations, while numerically converged GW-BSE eigenvalues can be obtained on a finite basis set. Calculations using real-space wave functions and pseudopotentials are shown to give best-estimate GW energies that agree (up to the extrapolation error) with calculations using all-electron Gaussian basis sets. We benchmark the effects of a vertex approximationmore » (ΓLDA) and the mean-field starting point in GW and the BSE, performing computations using a real-space, transition-space basis and scalar-relativistic pseudopotentials. Here, while no variant of GW improves on perturbative G0W0 at predicting ionization energies, G0W0Γ LDA-BSE computations give excellent agreement with experimental absorption spectra as long as off-diagonal self-energy terms are included. We also present G0W0 quasiparticle energies for the CuO –, ZnO –, AgO –, and CdO – anions, in comparison to available anion photoelectron spectra.« less

  5. Benchmarking the GW Approximation and Bethe–Salpeter Equation for Groups IB and IIB Atoms and Monoxides

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

    Hung, Linda; Bruneval, Fabien; Baishya, Kopinjol

    Energies from the GW approximation and the Bethe–Salpeter equation (BSE) are benchmarked against the excitation energies of transition-metal (Cu, Zn, Ag, and Cd) single atoms and monoxide anions. We demonstrate that best estimates of GW quasiparticle energies at the complete basis set limit should be obtained via extrapolation or closure relations, while numerically converged GW-BSE eigenvalues can be obtained on a finite basis set. Calculations using real-space wave functions and pseudopotentials are shown to give best-estimate GW energies that agree (up to the extrapolation error) with calculations using all-electron Gaussian basis sets. We benchmark the effects of a vertex approximationmore » (ΓLDA) and the mean-field starting point in GW and the BSE, performing computations using a real-space, transition-space basis and scalar-relativistic pseudopotentials. Here, while no variant of GW improves on perturbative G0W0 at predicting ionization energies, G0W0Γ LDA-BSE computations give excellent agreement with experimental absorption spectra as long as off-diagonal self-energy terms are included. We also present G0W0 quasiparticle energies for the CuO –, ZnO –, AgO –, and CdO – anions, in comparison to available anion photoelectron spectra.« less

  6. Benchmark duration of work hours for development of fatigue symptoms in Japanese workers with adjustment for job-related stress.

    PubMed

    Suwazono, Yasushi; Dochi, Mirei; Kobayashi, Etsuko; Oishi, Mitsuhiro; Okubo, Yasushi; Tanaka, Kumihiko; Sakata, Kouichi

    2008-12-01

    The objective of this study was to calculate benchmark durations and lower 95% confidence limits for benchmark durations of working hours associated with subjective fatigue symptoms by applying the benchmark dose approach while adjusting for job-related stress using multiple logistic regression analyses. A self-administered questionnaire was completed by 3,069 male and 412 female daytime workers (age 18-67 years) in a Japanese steel company. The eight dependent variables in the Cumulative Fatigue Symptoms Index were decreased vitality, general fatigue, physical disorders, irritability, decreased willingness to work, anxiety, depressive feelings, and chronic tiredness. Independent variables were daily working hours, four subscales (job demand, job control, interpersonal relationship, and job suitability) of the Brief Job Stress Questionnaire, and other potential covariates. Using significant parameters for working hours and those for other covariates, the benchmark durations of working hours were calculated for the corresponding Index property. Benchmark response was set at 5% or 10%. Assuming a condition of worst job stress, the benchmark duration/lower 95% confidence limit for benchmark duration of working hours per day with a benchmark response of 5% or 10% were 10.0/9.4 or 11.7/10.7 (irritability) and 9.2/8.9 or 10.4/9.8 (chronic tiredness) in men and 8.9/8.4 or 9.8/8.9 (chronic tiredness) in women. The threshold amounts of working hours for fatigue symptoms under the worst job-related stress were very close to the standard daily working hours in Japan. The results strongly suggest that special attention should be paid to employees whose working hours exceed threshold amounts based on individual levels of job-related stress.

  7. INL Results for Phases I and III of the OECD/NEA MHTGR-350 Benchmark

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

    Gerhard Strydom; Javier Ortensi; Sonat Sen

    2013-09-01

    The Idaho National Laboratory (INL) Very High Temperature Reactor (VHTR) Technology Development Office (TDO) Methods Core Simulation group led the construction of the Organization for Economic Cooperation and Development (OECD) Modular High Temperature Reactor (MHTGR) 350 MW benchmark for comparing and evaluating prismatic VHTR analysis codes. The benchmark is sponsored by the OECD's Nuclear Energy Agency (NEA), and the project will yield a set of reference steady-state, transient, and lattice depletion problems that can be used by the Department of Energy (DOE), the Nuclear Regulatory Commission (NRC), and vendors to assess their code suits. The Methods group is responsible formore » defining the benchmark specifications, leading the data collection and comparison activities, and chairing the annual technical workshops. This report summarizes the latest INL results for Phase I (steady state) and Phase III (lattice depletion) of the benchmark. The INSTANT, Pronghorn and RattleSnake codes were used for the standalone core neutronics modeling of Exercise 1, and the results obtained from these codes are compared in Section 4. Exercise 2 of Phase I requires the standalone steady-state thermal fluids modeling of the MHTGR-350 design, and the results for the systems code RELAP5-3D are discussed in Section 5. The coupled neutronics and thermal fluids steady-state solution for Exercise 3 are reported in Section 6, utilizing the newly developed Parallel and Highly Innovative Simulation for INL Code System (PHISICS)/RELAP5-3D code suit. Finally, the lattice depletion models and results obtained for Phase III are compared in Section 7. The MHTGR-350 benchmark proved to be a challenging simulation set of problems to model accurately, and even with the simplifications introduced in the benchmark specification this activity is an important step in the code-to-code verification of modern prismatic VHTR codes. A final OECD/NEA comparison report will compare the Phase I and III results of all other international participants in 2014, while the remaining Phase II transient case results will be reported in 2015.« less

  8. Benchmark datasets for phylogenomic pipeline validation, applications for foodborne pathogen surveillance

    PubMed Central

    Rand, Hugh; Shumway, Martin; Trees, Eija K.; Simmons, Mustafa; Agarwala, Richa; Davis, Steven; Tillman, Glenn E.; Defibaugh-Chavez, Stephanie; Carleton, Heather A.; Klimke, William A.; Katz, Lee S.

    2017-01-01

    Background As next generation sequence technology has advanced, there have been parallel advances in genome-scale analysis programs for determining evolutionary relationships as proxies for epidemiological relationship in public health. Most new programs skip traditional steps of ortholog determination and multi-gene alignment, instead identifying variants across a set of genomes, then summarizing results in a matrix of single-nucleotide polymorphisms or alleles for standard phylogenetic analysis. However, public health authorities need to document the performance of these methods with appropriate and comprehensive datasets so they can be validated for specific purposes, e.g., outbreak surveillance. Here we propose a set of benchmark datasets to be used for comparison and validation of phylogenomic pipelines. Methods We identified four well-documented foodborne pathogen events in which the epidemiology was concordant with routine phylogenomic analyses (reference-based SNP and wgMLST approaches). These are ideal benchmark datasets, as the trees, WGS data, and epidemiological data for each are all in agreement. We have placed these sequence data, sample metadata, and “known” phylogenetic trees in publicly-accessible databases and developed a standard descriptive spreadsheet format describing each dataset. To facilitate easy downloading of these benchmarks, we developed an automated script that uses the standard descriptive spreadsheet format. Results Our “outbreak” benchmark datasets represent the four major foodborne bacterial pathogens (Listeria monocytogenes, Salmonella enterica, Escherichia coli, and Campylobacter jejuni) and one simulated dataset where the “known tree” can be accurately called the “true tree”. The downloading script and associated table files are available on GitHub: https://github.com/WGS-standards-and-analysis/datasets. Discussion These five benchmark datasets will help standardize comparison of current and future phylogenomic pipelines, and facilitate important cross-institutional collaborations. Our work is part of a global effort to provide collaborative infrastructure for sequence data and analytic tools—we welcome additional benchmark datasets in our recommended format, and, if relevant, we will add these on our GitHub site. Together, these datasets, dataset format, and the underlying GitHub infrastructure present a recommended path for worldwide standardization of phylogenomic pipelines. PMID:29372115

  9. Benchmark datasets for phylogenomic pipeline validation, applications for foodborne pathogen surveillance.

    PubMed

    Timme, Ruth E; Rand, Hugh; Shumway, Martin; Trees, Eija K; Simmons, Mustafa; Agarwala, Richa; Davis, Steven; Tillman, Glenn E; Defibaugh-Chavez, Stephanie; Carleton, Heather A; Klimke, William A; Katz, Lee S

    2017-01-01

    As next generation sequence technology has advanced, there have been parallel advances in genome-scale analysis programs for determining evolutionary relationships as proxies for epidemiological relationship in public health. Most new programs skip traditional steps of ortholog determination and multi-gene alignment, instead identifying variants across a set of genomes, then summarizing results in a matrix of single-nucleotide polymorphisms or alleles for standard phylogenetic analysis. However, public health authorities need to document the performance of these methods with appropriate and comprehensive datasets so they can be validated for specific purposes, e.g., outbreak surveillance. Here we propose a set of benchmark datasets to be used for comparison and validation of phylogenomic pipelines. We identified four well-documented foodborne pathogen events in which the epidemiology was concordant with routine phylogenomic analyses (reference-based SNP and wgMLST approaches). These are ideal benchmark datasets, as the trees, WGS data, and epidemiological data for each are all in agreement. We have placed these sequence data, sample metadata, and "known" phylogenetic trees in publicly-accessible databases and developed a standard descriptive spreadsheet format describing each dataset. To facilitate easy downloading of these benchmarks, we developed an automated script that uses the standard descriptive spreadsheet format. Our "outbreak" benchmark datasets represent the four major foodborne bacterial pathogens ( Listeria monocytogenes , Salmonella enterica , Escherichia coli , and Campylobacter jejuni ) and one simulated dataset where the "known tree" can be accurately called the "true tree". The downloading script and associated table files are available on GitHub: https://github.com/WGS-standards-and-analysis/datasets. These five benchmark datasets will help standardize comparison of current and future phylogenomic pipelines, and facilitate important cross-institutional collaborations. Our work is part of a global effort to provide collaborative infrastructure for sequence data and analytic tools-we welcome additional benchmark datasets in our recommended format, and, if relevant, we will add these on our GitHub site. Together, these datasets, dataset format, and the underlying GitHub infrastructure present a recommended path for worldwide standardization of phylogenomic pipelines.

  10. How do I know if my forecasts are better? Using benchmarks in hydrological ensemble prediction

    NASA Astrophysics Data System (ADS)

    Pappenberger, F.; Ramos, M. H.; Cloke, H. L.; Wetterhall, F.; Alfieri, L.; Bogner, K.; Mueller, A.; Salamon, P.

    2015-03-01

    The skill of a forecast can be assessed by comparing the relative proximity of both the forecast and a benchmark to the observations. Example benchmarks include climatology or a naïve forecast. Hydrological ensemble prediction systems (HEPS) are currently transforming the hydrological forecasting environment but in this new field there is little information to guide researchers and operational forecasters on how benchmarks can be best used to evaluate their probabilistic forecasts. In this study, it is identified that the forecast skill calculated can vary depending on the benchmark selected and that the selection of a benchmark for determining forecasting system skill is sensitive to a number of hydrological and system factors. A benchmark intercomparison experiment is then undertaken using the continuous ranked probability score (CRPS), a reference forecasting system and a suite of 23 different methods to derive benchmarks. The benchmarks are assessed within the operational set-up of the European Flood Awareness System (EFAS) to determine those that are 'toughest to beat' and so give the most robust discrimination of forecast skill, particularly for the spatial average fields that EFAS relies upon. Evaluating against an observed discharge proxy the benchmark that has most utility for EFAS and avoids the most naïve skill across different hydrological situations is found to be meteorological persistency. This benchmark uses the latest meteorological observations of precipitation and temperature to drive the hydrological model. Hydrological long term average benchmarks, which are currently used in EFAS, are very easily beaten by the forecasting system and the use of these produces much naïve skill. When decomposed into seasons, the advanced meteorological benchmarks, which make use of meteorological observations from the past 20 years at the same calendar date, have the most skill discrimination. They are also good at discriminating skill in low flows and for all catchment sizes. Simpler meteorological benchmarks are particularly useful for high flows. Recommendations for EFAS are to move to routine use of meteorological persistency, an advanced meteorological benchmark and a simple meteorological benchmark in order to provide a robust evaluation of forecast skill. This work provides the first comprehensive evidence on how benchmarks can be used in evaluation of skill in probabilistic hydrological forecasts and which benchmarks are most useful for skill discrimination and avoidance of naïve skill in a large scale HEPS. It is recommended that all HEPS use the evidence and methodology provided here to evaluate which benchmarks to employ; so forecasters can have trust in their skill evaluation and will have confidence that their forecasts are indeed better.

  11. Estimation of Δ R/ R values by benchmark study of the Mössbauer Isomer shifts for Ru, Os complexes using relativistic DFT calculations

    NASA Astrophysics Data System (ADS)

    Kaneko, Masashi; Yasuhara, Hiroki; Miyashita, Sunao; Nakashima, Satoru

    2017-11-01

    The present study applies all-electron relativistic DFT calculation with Douglas-Kroll-Hess (DKH) Hamiltonian to each ten sets of Ru and Os compounds. We perform the benchmark investigation of three density functionals (BP86, B3LYP and B2PLYP) using segmented all-electron relativistically contracted (SARC) basis set with the experimental Mössbauer isomer shifts for 99Ru and 189Os nuclides. Geometry optimizations at BP86 theory of level locate the structure in a local minimum. We calculate the contact density to the wavefunction obtained by a single point calculation. All functionals show the good linear correlation with experimental isomer shifts for both 99Ru and 189Os. Especially, B3LYP functional gives a stronger correlation compared to BP86 and B2PLYP functionals. The comparison of contact density between SARC and well-tempered basis set (WTBS) indicated that the numerical convergence of contact density cannot be obtained, but the reproducibility is less sensitive to the choice of basis set. We also estimate the values of Δ R/ R, which is an important nuclear constant, for 99Ru and 189Os nuclides by using the benchmark results. The sign of the calculated Δ R/ R values is consistent with the predicted data for 99Ru and 189Os. We obtain computationally the Δ R/ R values of 99Ru and 189Os (36.2 keV) as 2.35×10-4 and -0.20×10-4, respectively, at B3LYP level for SARC basis set.

  12. The surface elevation table: marker horizon method for measuring wetland accretion and elevation dynamics

    USGS Publications Warehouse

    Callaway, John C.; Cahoon, Donald R.; Lynch, James C.

    2014-01-01

    Tidal wetlands are highly sensitive to processes that affect their elevation relative to sea level. The surface elevation table–marker horizon (SET–MH) method has been used to successfully measure these processes, including sediment accretion, changes in relative elevation, and shallow soil processes (subsidence and expansion due to root production). The SET–MH method is capable of measuring changes at very high resolution (±millimeters) and has been used worldwide both in natural wetlands and under experimental conditions. Marker horizons are typically deployed using feldspar over 50- by 50-cm plots, with replicate plots at each sampling location. Plots are sampled using a liquid N2 cryocorer that freezes a small sample, allowing the handling and measurement of soft and easily compressed soils with minimal compaction. The SET instrument is a portable device that is attached to a permanent benchmark to make high-precision measurements of wetland surface elevation. The SET instrument has evolved substantially in recent decades, and the current rod SET (RSET) is widely used. For the RSET, a 15-mm-diameter stainless steel rod is pounded into the ground until substantial resistance is achieved to establish a benchmark. The SET instrument is attached to the benchmark and leveled such that it reoccupies the same reference plane in space, and pins lowered from the instrument repeatedly measure the same point on the soil surface. Changes in the height of the lowered pins reflect changes in the soil surface. Permanent or temporary platforms provide access to SET and MH locations without disturbing the wetland surface.

  13. 2-D Circulation Control Airfoil Benchmark Experiments Intended for CFD Code Validation

    NASA Technical Reports Server (NTRS)

    Englar, Robert J.; Jones, Gregory S.; Allan, Brian G.; Lin, Johb C.

    2009-01-01

    A current NASA Research Announcement (NRA) project being conducted by Georgia Tech Research Institute (GTRI) personnel and NASA collaborators includes the development of Circulation Control (CC) blown airfoils to improve subsonic aircraft high-lift and cruise performance. The emphasis of this program is the development of CC active flow control concepts for both high-lift augmentation, drag control, and cruise efficiency. A collaboration in this project includes work by NASA research engineers, whereas CFD validation and flow physics experimental research are part of NASA s systematic approach to developing design and optimization tools for CC applications to fixed-wing aircraft. The design space for CESTOL type aircraft is focusing on geometries that depend on advanced flow control technologies that include Circulation Control aerodynamics. The ability to consistently predict advanced aircraft performance requires improvements in design tools to include these advanced concepts. Validation of these tools will be based on experimental methods applied to complex flows that go beyond conventional aircraft modeling techniques. This paper focuses on recent/ongoing benchmark high-lift experiments and CFD efforts intended to provide 2-D CFD validation data sets related to NASA s Cruise Efficient Short Take Off and Landing (CESTOL) study. Both the experimental data and related CFD predictions are discussed.

  14. Improving Protein Fold Recognition by Deep Learning Networks

    NASA Astrophysics Data System (ADS)

    Jo, Taeho; Hou, Jie; Eickholt, Jesse; Cheng, Jianlin

    2015-12-01

    For accurate recognition of protein folds, a deep learning network method (DN-Fold) was developed to predict if a given query-template protein pair belongs to the same structural fold. The input used stemmed from the protein sequence and structural features extracted from the protein pair. We evaluated the performance of DN-Fold along with 18 different methods on Lindahl’s benchmark dataset and on a large benchmark set extracted from SCOP 1.75 consisting of about one million protein pairs, at three different levels of fold recognition (i.e., protein family, superfamily, and fold) depending on the evolutionary distance between protein sequences. The correct recognition rate of ensembled DN-Fold for Top 1 predictions is 84.5%, 61.5%, and 33.6% and for Top 5 is 91.2%, 76.5%, and 60.7% at family, superfamily, and fold levels, respectively. We also evaluated the performance of single DN-Fold (DN-FoldS), which showed the comparable results at the level of family and superfamily, compared to ensemble DN-Fold. Finally, we extended the binary classification problem of fold recognition to real-value regression task, which also show a promising performance. DN-Fold is freely available through a web server at http://iris.rnet.missouri.edu/dnfold.

  15. Model fitting for small skin permeability data sets: hyperparameter optimisation in Gaussian Process Regression.

    PubMed

    Ashrafi, Parivash; Sun, Yi; Davey, Neil; Adams, Roderick G; Wilkinson, Simon C; Moss, Gary Patrick

    2018-03-01

    The aim of this study was to investigate how to improve predictions from Gaussian Process models by optimising the model hyperparameters. Optimisation methods, including Grid Search, Conjugate Gradient, Random Search, Evolutionary Algorithm and Hyper-prior, were evaluated and applied to previously published data. Data sets were also altered in a structured manner to reduce their size, which retained the range, or 'chemical space' of the key descriptors to assess the effect of the data range on model quality. The Hyper-prior Smoothbox kernel results in the best models for the majority of data sets, and they exhibited significantly better performance than benchmark quantitative structure-permeability relationship (QSPR) models. When the data sets were systematically reduced in size, the different optimisation methods generally retained their statistical quality, whereas benchmark QSPR models performed poorly. The design of the data set, and possibly also the approach to validation of the model, is critical in the development of improved models. The size of the data set, if carefully controlled, was not generally a significant factor for these models and that models of excellent statistical quality could be produced from substantially smaller data sets. © 2018 Royal Pharmaceutical Society.

  16. Theoretical energies, transition rates, lifetimes, hyperfine interaction constants and Lande´ gJ-factors for the Se XXVII spectrum of fusion interest

    NASA Astrophysics Data System (ADS)

    Chen, Zhan-Bin; Guo, Xue-Ling; Wang, Kai

    2018-02-01

    An extensive set of level energies, wavelengths, line strengths, oscillator strengths, lifetimes, hyperfine structures, Lande´ gJ-factors, electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) radiative transition rates among the lowest 318 states arising from the 2s22p4, 2s2p5, 2p6, 2s22p33l (l = 0, 1, 2), 2s2p43l (l = 0, 1, 2), 2p53l (l = 0, 1, 2), and 2s22p34l (l = 0, 1, 2, 3) configurations has been obtained for Se XXVII. These new data, calculated within the frameworks of the multi-configuration Dirac-Hartree-Fock method and the second-order many-body perturbation theory, fill in the gap existing in the atomic data needed for the diagnostic processes of tokamak plasmas. Using two methods allowed us to make an intercomparison and to estimate the uncertainties on the obtained data. The results arising in the two sets of calculations are quite close, suggesting that there is a high degree of convergence achieved in our work. i.e., our two sets of energies agree to better than 0.02%, and the lifetimes mostly agree to within 2%. Comparison is also made with the limited number of experimental data and previous computations to assess the accuracy of our calculations.

  17. Setting Achievement Targets for School Children.

    ERIC Educational Resources Information Center

    Thanassoulis, Emmanuel

    1999-01-01

    Develops an approach for setting performance targets for schoolchildren, using data-envelopment analysis to identify benchmark pupils who achieve the best observed performance (allowing for contextual factors). These pupils' achievement forms the basis of targets estimated. The procedure also identifies appropriate role models for weaker students'…

  18. Closed-Loop Neuromorphic Benchmarks

    PubMed Central

    Stewart, Terrence C.; DeWolf, Travis; Kleinhans, Ashley; Eliasmith, Chris

    2015-01-01

    Evaluating the effectiveness and performance of neuromorphic hardware is difficult. It is even more difficult when the task of interest is a closed-loop task; that is, a task where the output from the neuromorphic hardware affects some environment, which then in turn affects the hardware's future input. However, closed-loop situations are one of the primary potential uses of neuromorphic hardware. To address this, we present a methodology for generating closed-loop benchmarks that makes use of a hybrid of real physical embodiment and a type of “minimal” simulation. Minimal simulation has been shown to lead to robust real-world performance, while still maintaining the practical advantages of simulation, such as making it easy for the same benchmark to be used by many researchers. This method is flexible enough to allow researchers to explicitly modify the benchmarks to identify specific task domains where particular hardware excels. To demonstrate the method, we present a set of novel benchmarks that focus on motor control for an arbitrary system with unknown external forces. Using these benchmarks, we show that an error-driven learning rule can consistently improve motor control performance across a randomly generated family of closed-loop simulations, even when there are up to 15 interacting joints to be controlled. PMID:26696820

  19. CompaRNA: a server for continuous benchmarking of automated methods for RNA secondary structure prediction

    PubMed Central

    Puton, Tomasz; Kozlowski, Lukasz P.; Rother, Kristian M.; Bujnicki, Janusz M.

    2013-01-01

    We present a continuous benchmarking approach for the assessment of RNA secondary structure prediction methods implemented in the CompaRNA web server. As of 3 October 2012, the performance of 28 single-sequence and 13 comparative methods has been evaluated on RNA sequences/structures released weekly by the Protein Data Bank. We also provide a static benchmark generated on RNA 2D structures derived from the RNAstrand database. Benchmarks on both data sets offer insight into the relative performance of RNA secondary structure prediction methods on RNAs of different size and with respect to different types of structure. According to our tests, on the average, the most accurate predictions obtained by a comparative approach are generated by CentroidAlifold, MXScarna, RNAalifold and TurboFold. On the average, the most accurate predictions obtained by single-sequence analyses are generated by CentroidFold, ContextFold and IPknot. The best comparative methods typically outperform the best single-sequence methods if an alignment of homologous RNA sequences is available. This article presents the results of our benchmarks as of 3 October 2012, whereas the rankings presented online are continuously updated. We will gladly include new prediction methods and new measures of accuracy in the new editions of CompaRNA benchmarks. PMID:23435231

  20. U.S. EPA'S ACUTE REFERENCE EXPOSURE METHODOLOGY FOR ACUTE INHALATION EXPOSURES

    EPA Science Inventory

    The US EPA National Center for Environmental Assessment has developed a methodology to derive acute inhalation toxicity benchmarks, called acute reference exposures (AREs), for noncancer effects. The methodology provides guidance for the derivation of chemical-specific benchmark...

  1. Quality indicators for Transfusion Medicine in Spain: a survey among hospital transfusion services.

    PubMed

    Romon, Iñigo; Lozano, Miguel

    2017-05-01

    Transfusion services in the European Union must implement quality management systems to improve quality. Quality indicators (QI) play a key role in quality management because they can supply important information about the performance of the transfusion service, which can then be used for benchmarking. However, little is known about the actual use of QI in hospitals. We tried to ascertain the use and characteristics of QI in Spanish hospital transfusion services. We performed a survey among transfusion services in order to learn which QI they use. We classified indicators into categories and concepts, according to the steps of the transfusion process or the activities the indicators referred to. Seventy-six hospitals (17.9% of the hospitals actively transfusing in the country) reported 731 QI. Twenty-two of them (29%) were tertiary level hospitals. The number of indicators per hospital and by activity varied greatly. QI were assigned to some basic categories: transfusion process (23% of indicators), transfusion activity and stock management (22%), haemovigilance (20%), stem cell transplantation (9%), transfusion laboratory (9%), quality management system (8%), blood donation (3.4%), apheresis and therapeutic activities (2.5%) and immunohaematology of pregnancy (2%). Although most hospitals use QI in their quality management system and share a core group of indicators, we found a great dispersion in the number and characteristics of the indicators used. The use of a commonly agreed set of QI could be an aid to benchmarking among hospitals and to improving the transfusion process.

  2. Low utilisation of diabetes medicines in Iran, despite their affordability (2000–2012): a time-series and benchmarking study

    PubMed Central

    Sarayani, Amir; Rashidian, Arash; Gholami, Kheirollah

    2014-01-01

    Objectives Diabetes is a major public health concern worldwide, particularly in low-income and middle-income countries (LMICs). Limited data exist on the status of access to diabetes medicines in LMICs. We assessed the utilisation and affordability of diabetes medicines in Iran as a middle-income country. Design We used a retrospective time-series design (2000–2012) and assessed national diabetes medicines’ utilisation using pharmaceuticals wholesale data. Methods We calculated defined daily dose consumptions per population days (DDDs/1000 inhabitants/day; DIDs) indicator. Findings were benchmarked with data from Organization for Economic Co-operation and Development (OECD) countries. We also employed Drug Utilization-90% (DU-90) method to compare DU-90s with the Essential Medicines List published by the WHO. We measured affordability using number of minimum daily wage required to purchase a treatment course for 1 month. Results Diabetes medicines’ consumption increased from 4.47 to 33.54 DIDs. The benchmarking showed that medicines’ utilisation in Iran in 2011 was only 54% of the median DIDs of 22 OECD countries. Oral hypoglycaemic agents consisted over 80% of use throughout the study period. Regular and isophane insulin (NPH), glibenclamide, metformin and gliclazide were the DU-90 drugs in 2012. Metformin, glibenclamide and regular/NPH insulin combination therapy were affordable throughout the study period (∼0.4, ∼0.1, ∼0.3 of minimum daily wage, respectively). While the affordability of novel insulin preparations improved over time, they were still unaffordable in 2012. Conclusions The utilisation of diabetes medicines was relatively low, perhaps due to underdiagnosis and inadequate management of patients with diabetes. This had occurred despite affordability of essential diabetes medicines in Iran. Appropriate policies are required to address the underutilisation of diabetes medicines in Iran. PMID:25324322

  3. Debugging and Analysis of Large-Scale Parallel Programs

    DTIC Science & Technology

    1989-09-01

    Przybylski, T. Riordan , C. Rowen, and D. Van’t Hof, "A CMOS RISC Processor with Integrated System Functions," In Proc. of the 1986 COMPCON. IEEE, March 1986...Sequencers," Communications of the ACM, 22(2):115-123, 1979. 115 [Richardson, 1988] Rick Richardson, "Dhrystone 2.1 Benchmark," Usenet Distribution

  4. The Multimodal Brain Tumor Image Segmentation Benchmark (BRATS).

    PubMed

    Menze, Bjoern H; Jakab, Andras; Bauer, Stefan; Kalpathy-Cramer, Jayashree; Farahani, Keyvan; Kirby, Justin; Burren, Yuliya; Porz, Nicole; Slotboom, Johannes; Wiest, Roland; Lanczi, Levente; Gerstner, Elizabeth; Weber, Marc-André; Arbel, Tal; Avants, Brian B; Ayache, Nicholas; Buendia, Patricia; Collins, D Louis; Cordier, Nicolas; Corso, Jason J; Criminisi, Antonio; Das, Tilak; Delingette, Hervé; Demiralp, Çağatay; Durst, Christopher R; Dojat, Michel; Doyle, Senan; Festa, Joana; Forbes, Florence; Geremia, Ezequiel; Glocker, Ben; Golland, Polina; Guo, Xiaotao; Hamamci, Andac; Iftekharuddin, Khan M; Jena, Raj; John, Nigel M; Konukoglu, Ender; Lashkari, Danial; Mariz, José Antonió; Meier, Raphael; Pereira, Sérgio; Precup, Doina; Price, Stephen J; Raviv, Tammy Riklin; Reza, Syed M S; Ryan, Michael; Sarikaya, Duygu; Schwartz, Lawrence; Shin, Hoo-Chang; Shotton, Jamie; Silva, Carlos A; Sousa, Nuno; Subbanna, Nagesh K; Szekely, Gabor; Taylor, Thomas J; Thomas, Owen M; Tustison, Nicholas J; Unal, Gozde; Vasseur, Flor; Wintermark, Max; Ye, Dong Hye; Zhao, Liang; Zhao, Binsheng; Zikic, Darko; Prastawa, Marcel; Reyes, Mauricio; Van Leemput, Koen

    2015-10-01

    In this paper we report the set-up and results of the Multimodal Brain Tumor Image Segmentation Benchmark (BRATS) organized in conjunction with the MICCAI 2012 and 2013 conferences. Twenty state-of-the-art tumor segmentation algorithms were applied to a set of 65 multi-contrast MR scans of low- and high-grade glioma patients-manually annotated by up to four raters-and to 65 comparable scans generated using tumor image simulation software. Quantitative evaluations revealed considerable disagreement between the human raters in segmenting various tumor sub-regions (Dice scores in the range 74%-85%), illustrating the difficulty of this task. We found that different algorithms worked best for different sub-regions (reaching performance comparable to human inter-rater variability), but that no single algorithm ranked in the top for all sub-regions simultaneously. Fusing several good algorithms using a hierarchical majority vote yielded segmentations that consistently ranked above all individual algorithms, indicating remaining opportunities for further methodological improvements. The BRATS image data and manual annotations continue to be publicly available through an online evaluation system as an ongoing benchmarking resource.

  5. The Multimodal Brain Tumor Image Segmentation Benchmark (BRATS)

    PubMed Central

    Jakab, Andras; Bauer, Stefan; Kalpathy-Cramer, Jayashree; Farahani, Keyvan; Kirby, Justin; Burren, Yuliya; Porz, Nicole; Slotboom, Johannes; Wiest, Roland; Lanczi, Levente; Gerstner, Elizabeth; Weber, Marc-André; Arbel, Tal; Avants, Brian B.; Ayache, Nicholas; Buendia, Patricia; Collins, D. Louis; Cordier, Nicolas; Corso, Jason J.; Criminisi, Antonio; Das, Tilak; Delingette, Hervé; Demiralp, Çağatay; Durst, Christopher R.; Dojat, Michel; Doyle, Senan; Festa, Joana; Forbes, Florence; Geremia, Ezequiel; Glocker, Ben; Golland, Polina; Guo, Xiaotao; Hamamci, Andac; Iftekharuddin, Khan M.; Jena, Raj; John, Nigel M.; Konukoglu, Ender; Lashkari, Danial; Mariz, José António; Meier, Raphael; Pereira, Sérgio; Precup, Doina; Price, Stephen J.; Raviv, Tammy Riklin; Reza, Syed M. S.; Ryan, Michael; Sarikaya, Duygu; Schwartz, Lawrence; Shin, Hoo-Chang; Shotton, Jamie; Silva, Carlos A.; Sousa, Nuno; Subbanna, Nagesh K.; Szekely, Gabor; Taylor, Thomas J.; Thomas, Owen M.; Tustison, Nicholas J.; Unal, Gozde; Vasseur, Flor; Wintermark, Max; Ye, Dong Hye; Zhao, Liang; Zhao, Binsheng; Zikic, Darko; Prastawa, Marcel; Reyes, Mauricio; Van Leemput, Koen

    2016-01-01

    In this paper we report the set-up and results of the Multimodal Brain Tumor Image Segmentation Benchmark (BRATS) organized in conjunction with the MICCAI 2012 and 2013 conferences. Twenty state-of-the-art tumor segmentation algorithms were applied to a set of 65 multi-contrast MR scans of low- and high-grade glioma patients—manually annotated by up to four raters—and to 65 comparable scans generated using tumor image simulation software. Quantitative evaluations revealed considerable disagreement between the human raters in segmenting various tumor sub-regions (Dice scores in the range 74%–85%), illustrating the difficulty of this task. We found that different algorithms worked best for different sub-regions (reaching performance comparable to human inter-rater variability), but that no single algorithm ranked in the top for all sub-regions simultaneously. Fusing several good algorithms using a hierarchical majority vote yielded segmentations that consistently ranked above all individual algorithms, indicating remaining opportunities for further methodological improvements. The BRATS image data and manual annotations continue to be publicly available through an online evaluation system as an ongoing benchmarking resource. PMID:25494501

  6. Benchmarking MARS (accident management software) with the Browns Ferry fire

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

    Dawson, S.M.; Liu, L.Y.; Raines, J.C.

    1992-01-01

    The MAAP Accident Response System (MARS) is a userfriendly computer software developed to provide management and engineering staff with the most needed insights, during actual or simulated accidents, of the current and future conditions of the plant based on current plant data and its trends. To demonstrate the reliability of the MARS code in simulatng a plant transient, MARS is being benchmarked with the available reactor pressure vessel (RPV) pressure and level data from the Browns Ferry fire. The MRS software uses the Modular Accident Analysis Program (MAAP) code as its basis to calculate plant response under accident conditions. MARSmore » uses a limited set of plant data to initialize and track the accidnt progression. To perform this benchmark, a simulated set of plant data was constructed based on actual report data containing the information necessary to initialize MARS and keep track of plant system status throughout the accident progression. The initial Browns Ferry fire data were produced by performing a MAAP run to simulate the accident. The remaining accident simulation used actual plant data.« less

  7. On the predictability of land surface fluxes from meteorological variables

    NASA Astrophysics Data System (ADS)

    Haughton, Ned; Abramowitz, Gab; Pitman, Andy J.

    2018-01-01

    Previous research has shown that land surface models (LSMs) are performing poorly when compared with relatively simple empirical models over a wide range of metrics and environments. Atmospheric driving data appear to provide information about land surface fluxes that LSMs are not fully utilising. Here, we further quantify the information available in the meteorological forcing data that are used by LSMs for predicting land surface fluxes, by interrogating FLUXNET data, and extending the benchmarking methodology used in previous experiments. We show that substantial performance improvement is possible for empirical models using meteorological data alone, with no explicit vegetation or soil properties, thus setting lower bounds on a priori expectations on LSM performance. The process also identifies key meteorological variables that provide predictive power. We provide an ensemble of empirical benchmarks that are simple to reproduce and provide a range of behaviours and predictive performance, acting as a baseline benchmark set for future studies. We reanalyse previously published LSM simulations and show that there is more diversity between LSMs than previously indicated, although it remains unclear why LSMs are broadly performing so much worse than simple empirical models.

  8. Benchmarking In-Flight Icing Detection Products for Future Upgrades

    NASA Technical Reports Server (NTRS)

    Politovich, M. K.; Minnis, P.; Johnson, D. B.; Wolff, C. A.; Chapman, M.; Heck, P. W.; Haggerty, J. A.

    2004-01-01

    This paper summarizes the results of a benchmarking exercise conducted as part of the NASA supported Advanced Satellite Aviation-Weather Products (ASAP) Program. The goal of ASAP is to increase and optimize the use of satellite data sets within the existing FAA Aviation Weather Research Program (AWRP) Product Development Team (PDT) structure and to transfer advanced satellite expertise to the PDTs. Currently, ASAP fosters collaborative efforts between NASA Laboratories, the University of Wisconsin Cooperative Institute for Meteorological Satellite Studies (UW-CIMSS), the University of Alabama in Huntsville (UAH), and the AWRP PDTs. This collaboration involves the testing and evaluation of existing satellite algorithms developed or proposed by AWRP teams, the introduction of new techniques and data sets to the PDTs from the satellite community, and enhanced access to new satellite data sets available through CIMSS and NASA Langley Research Center for evaluation and testing.

  9. Bias-Free Chemically Diverse Test Sets from Machine Learning.

    PubMed

    Swann, Ellen T; Fernandez, Michael; Coote, Michelle L; Barnard, Amanda S

    2017-08-14

    Current benchmarking methods in quantum chemistry rely on databases that are built using a chemist's intuition. It is not fully understood how diverse or representative these databases truly are. Multivariate statistical techniques like archetypal analysis and K-means clustering have previously been used to summarize large sets of nanoparticles however molecules are more diverse and not as easily characterized by descriptors. In this work, we compare three sets of descriptors based on the one-, two-, and three-dimensional structure of a molecule. Using data from the NIST Computational Chemistry Comparison and Benchmark Database and machine learning techniques, we demonstrate the functional relationship between these structural descriptors and the electronic energy of molecules. Archetypes and prototypes found with topological or Coulomb matrix descriptors can be used to identify smaller, statistically significant test sets that better capture the diversity of chemical space. We apply this same method to find a diverse subset of organic molecules to demonstrate how the methods can easily be reapplied to individual research projects. Finally, we use our bias-free test sets to assess the performance of density functional theory and quantum Monte Carlo methods.

  10. Toward multimodal signal detection of adverse drug reactions.

    PubMed

    Harpaz, Rave; DuMouchel, William; Schuemie, Martijn; Bodenreider, Olivier; Friedman, Carol; Horvitz, Eric; Ripple, Anna; Sorbello, Alfred; White, Ryen W; Winnenburg, Rainer; Shah, Nigam H

    2017-12-01

    Improving mechanisms to detect adverse drug reactions (ADRs) is key to strengthening post-marketing drug safety surveillance. Signal detection is presently unimodal, relying on a single information source. Multimodal signal detection is based on jointly analyzing multiple information sources. Building on, and expanding the work done in prior studies, the aim of the article is to further research on multimodal signal detection, explore its potential benefits, and propose methods for its construction and evaluation. Four data sources are investigated; FDA's adverse event reporting system, insurance claims, the MEDLINE citation database, and the logs of major Web search engines. Published methods are used to generate and combine signals from each data source. Two distinct reference benchmarks corresponding to well-established and recently labeled ADRs respectively are used to evaluate the performance of multimodal signal detection in terms of area under the ROC curve (AUC) and lead-time-to-detection, with the latter relative to labeling revision dates. Limited to our reference benchmarks, multimodal signal detection provides AUC improvements ranging from 0.04 to 0.09 based on a widely used evaluation benchmark, and a comparative added lead-time of 7-22 months relative to labeling revision dates from a time-indexed benchmark. The results support the notion that utilizing and jointly analyzing multiple data sources may lead to improved signal detection. Given certain data and benchmark limitations, the early stage of development, and the complexity of ADRs, it is currently not possible to make definitive statements about the ultimate utility of the concept. Continued development of multimodal signal detection requires a deeper understanding the data sources used, additional benchmarks, and further research on methods to generate and synthesize signals. Copyright © 2017 Elsevier Inc. All rights reserved.

  11. The toxicity of molybdate to freshwater and marine organisms. II. Effects assessment of molybdate in the aquatic environment under REACH.

    PubMed

    Heijerick, D G; Regoli, L; Carey, S

    2012-10-01

    The REACH Molybdenum Consortium initiated an extensive research program in order to generate robust PNECs, based on the SSD approach, for both the freshwater and marine environments. This activity was part of the REACH dossier preparation and to form the basis for scientific dialogues with other national and international regulatory authorities. Chronic ecotoxicity data sets for the freshwater and marine environments served as starting point for the derivation of PNECs for both compartments, in accordance with the recommended derivation procedures established by the European Chemicals Agency (ECHA). The HC(5,50%)s that were derived from the generated Species Sensitivity Distributions were 38.2 mg Mo/L and 5.75 mg Mo/L for the freshwater and marine water compartment, respectively. Uncertainty analysis on both data sets and available data on bioaccumulation at high exposure levels justified an assessment factor of 3 on both HC(5,50%) leading to a PNEC(freshwater) of 12.7 mg Mo/L and a PNEC(marine) of 1.92 mg Mo/L. As there are currently insufficient ecotoxicological data available for the derivation of PNECs in the sediment compartment, the equilibrium partitioning method was applied; typical K(D)-values for both the freshwater and marine compartments were identified and combined with the respective PNEC, leading to a PNEC(sediment) of 22,600 mg/kg dry weight and 1980 mg/kg dry weight for freshwater and marine sediments, respectively. The chronic data sets were also used for the derivation of final chronic values using the procedures that are outlined by the US Environmental Protection Agency for deriving such water benchmarks. Comparing PNECs with FCVs showed that both methodologies result in comparable protective concentration levels for molybdenum in the environment. Copyright © 2012 Elsevier B.V. All rights reserved.

  12. Genome sequence and analysis of a stress-tolerant, wild-derived strain of Saccharomyces cerevisiae used in biofuels research

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

    McIlwain, Sean J.; Peris, Davis; Sardi, Maria

    The genome sequences of more than 100 strains of the yeast Saccharomyces cerevisiae have been published. Unfortunately, most of these genome assemblies contain dozens to hundreds of gaps at repetitive sequences, including transposable elements, tRNAs, and subtelomeric regions, which is where novel genes generally reside. Relatively few strains have been chosen for genome sequencing based on their biofuel production potential, leaving an additional knowledge gap. Here, we describe the nearly complete genome sequence of GLBRCY22-3 (Y22-3), a strain of S. cerevisiae derived from the stress-tolerant wild strain NRRL YB-210 and subsequently engineered for xylose metabolism. After benchmarking several genome assemblymore » approaches, we developed a pipeline to integrate Pacific Biosciences (PacBio) and Illumina sequencing data and achieved one of the highest quality genome assemblies for any S. cerevisiae strain. Specifically, the contig N50 is 693 kbp, and the sequences of most chromosomes, the mitochondrial genome, and the 2-micron plasmid are complete. Our annotation predicts 92 genes that are not present in the reference genome of the laboratory strain S288c, over 70% of which were expressed. We predicted functions for 43 of these genes, 28 of which were previously uncharacterized and unnamed. Remarkably, many of these genes are predicted to be involved in stress tolerance and carbon metabolism and are shared with a Brazilian bioethanol production strain, even though the strains differ dramatically at most genetic loci. Lastly, the Y22-3 genome sequence provides an exceptionally high-quality resource for basic and applied research in bioenergy and genetics.« less

  13. Genome sequence and analysis of a stress-tolerant, wild-derived strain of Saccharomyces cerevisiae used in biofuels research

    DOE PAGES

    McIlwain, Sean J.; Peris, Davis; Sardi, Maria; ...

    2016-04-20

    The genome sequences of more than 100 strains of the yeast Saccharomyces cerevisiae have been published. Unfortunately, most of these genome assemblies contain dozens to hundreds of gaps at repetitive sequences, including transposable elements, tRNAs, and subtelomeric regions, which is where novel genes generally reside. Relatively few strains have been chosen for genome sequencing based on their biofuel production potential, leaving an additional knowledge gap. Here, we describe the nearly complete genome sequence of GLBRCY22-3 (Y22-3), a strain of S. cerevisiae derived from the stress-tolerant wild strain NRRL YB-210 and subsequently engineered for xylose metabolism. After benchmarking several genome assemblymore » approaches, we developed a pipeline to integrate Pacific Biosciences (PacBio) and Illumina sequencing data and achieved one of the highest quality genome assemblies for any S. cerevisiae strain. Specifically, the contig N50 is 693 kbp, and the sequences of most chromosomes, the mitochondrial genome, and the 2-micron plasmid are complete. Our annotation predicts 92 genes that are not present in the reference genome of the laboratory strain S288c, over 70% of which were expressed. We predicted functions for 43 of these genes, 28 of which were previously uncharacterized and unnamed. Remarkably, many of these genes are predicted to be involved in stress tolerance and carbon metabolism and are shared with a Brazilian bioethanol production strain, even though the strains differ dramatically at most genetic loci. Lastly, the Y22-3 genome sequence provides an exceptionally high-quality resource for basic and applied research in bioenergy and genetics.« less

  14. Novel probabilistic neuroclassifier

    NASA Astrophysics Data System (ADS)

    Hong, Jiang; Serpen, Gursel

    2003-09-01

    A novel probabilistic potential function neural network classifier algorithm to deal with classes which are multi-modally distributed and formed from sets of disjoint pattern clusters is proposed in this paper. The proposed classifier has a number of desirable properties which distinguish it from other neural network classifiers. A complete description of the algorithm in terms of its architecture and the pseudocode is presented. Simulation analysis of the newly proposed neuro-classifier algorithm on a set of benchmark problems is presented. Benchmark problems tested include IRIS, Sonar, Vowel Recognition, Two-Spiral, Wisconsin Breast Cancer, Cleveland Heart Disease and Thyroid Gland Disease. Simulation results indicate that the proposed neuro-classifier performs consistently better for a subset of problems for which other neural classifiers perform relatively poorly.

  15. Toward real-time performance benchmarks for Ada

    NASA Technical Reports Server (NTRS)

    Clapp, Russell M.; Duchesneau, Louis; Volz, Richard A.; Mudge, Trevor N.; Schultze, Timothy

    1986-01-01

    The issue of real-time performance measurements for the Ada programming language through the use of benchmarks is addressed. First, the Ada notion of time is examined and a set of basic measurement techniques are developed. Then a set of Ada language features believed to be important for real-time performance are presented and specific measurement methods discussed. In addition, other important time related features which are not explicitly part of the language but are part of the run-time related features which are not explicitly part of the language but are part of the run-time system are also identified and measurement techniques developed. The measurement techniques are applied to the language and run-time system features and the results are presented.

  16. Exploring the consistency, transparency and portability of dental technology education: benchmarking across Norway, Ireland and Australia.

    PubMed

    Myhrer, T; Evans, J L; Haugen, H K; Gorman, C; Kavanagh, Y; Cameron, A B

    2016-08-01

    Dental technology programmes of study must prepare students to practice in a broad range of contemporary workplaces. Currently, there is limited evidence to benchmark dental technology education - locally, nationally or internationally. This research aims to improve consistency, transparency and portability of dental technology qualifications across three countries. Data were accessed from open-source curriculum documents and five calibrated assessment items. Three institutions collaborated with Oslo and Akershus University College, Norway; Trinity College Dublin, Ireland; and Griffith University, Australia. From these, 29-44 students completed 174 assessments. The curricula reflect the community needs of each country and display common themes that underpin professional dental technology practice. Assessment results differed between institutions but no more than a normal distribution. Face-to-face assessment moderation was critical to achieve consistency. This collaborative research has led to the development of a set of guidelines for other dental technology education providers interested in developing or aligning courses internationally to enhance the portability of qualifications. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  17. NetBenchmark: a bioconductor package for reproducible benchmarks of gene regulatory network inference.

    PubMed

    Bellot, Pau; Olsen, Catharina; Salembier, Philippe; Oliveras-Vergés, Albert; Meyer, Patrick E

    2015-09-29

    In the last decade, a great number of methods for reconstructing gene regulatory networks from expression data have been proposed. However, very few tools and datasets allow to evaluate accurately and reproducibly those methods. Hence, we propose here a new tool, able to perform a systematic, yet fully reproducible, evaluation of transcriptional network inference methods. Our open-source and freely available Bioconductor package aggregates a large set of tools to assess the robustness of network inference algorithms against different simulators, topologies, sample sizes and noise intensities. The benchmarking framework that uses various datasets highlights the specialization of some methods toward network types and data. As a result, it is possible to identify the techniques that have broad overall performances.

  18. A benchmark for fault tolerant flight control evaluation

    NASA Astrophysics Data System (ADS)

    Smaili, H.; Breeman, J.; Lombaerts, T.; Stroosma, O.

    2013-12-01

    A large transport aircraft simulation benchmark (REconfigurable COntrol for Vehicle Emergency Return - RECOVER) has been developed within the GARTEUR (Group for Aeronautical Research and Technology in Europe) Flight Mechanics Action Group 16 (FM-AG(16)) on Fault Tolerant Control (2004 2008) for the integrated evaluation of fault detection and identification (FDI) and reconfigurable flight control strategies. The benchmark includes a suitable set of assessment criteria and failure cases, based on reconstructed accident scenarios, to assess the potential of new adaptive control strategies to improve aircraft survivability. The application of reconstruction and modeling techniques, based on accident flight data, has resulted in high-fidelity nonlinear aircraft and fault models to evaluate new Fault Tolerant Flight Control (FTFC) concepts and their real-time performance to accommodate in-flight failures.

  19. Chimeric 16S rRNA sequence formation and detection in Sanger and 454-pyrosequenced PCR amplicons

    PubMed Central

    Haas, Brian J.; Gevers, Dirk; Earl, Ashlee M.; Feldgarden, Mike; Ward, Doyle V.; Giannoukos, Georgia; Ciulla, Dawn; Tabbaa, Diana; Highlander, Sarah K.; Sodergren, Erica; Methé, Barbara; DeSantis, Todd Z.; Petrosino, Joseph F.; Knight, Rob; Birren, Bruce W.

    2011-01-01

    Bacterial diversity among environmental samples is commonly assessed with PCR-amplified 16S rRNA gene (16S) sequences. Perceived diversity, however, can be influenced by sample preparation, primer selection, and formation of chimeric 16S amplification products. Chimeras are hybrid products between multiple parent sequences that can be falsely interpreted as novel organisms, thus inflating apparent diversity. We developed a new chimera detection tool called Chimera Slayer (CS). CS detects chimeras with greater sensitivity than previous methods, performs well on short sequences such as those produced by the 454 Life Sciences (Roche) Genome Sequencer, and can scale to large data sets. By benchmarking CS performance against sequences derived from a controlled DNA mixture of known organisms and a simulated chimera set, we provide insights into the factors that affect chimera formation such as sequence abundance, the extent of similarity between 16S genes, and PCR conditions. Chimeras were found to reproducibly form among independent amplifications and contributed to false perceptions of sample diversity and the false identification of novel taxa, with less-abundant species exhibiting chimera rates exceeding 70%. Shotgun metagenomic sequences of our mock community appear to be devoid of 16S chimeras, supporting a role for shotgun metagenomics in validating novel organisms discovered in targeted sequence surveys. PMID:21212162

  20. A benchmark for subduction zone modeling

    NASA Astrophysics Data System (ADS)

    van Keken, P.; King, S.; Peacock, S.

    2003-04-01

    Our understanding of subduction zones hinges critically on the ability to discern its thermal structure and dynamics. Computational modeling has become an essential complementary approach to observational and experimental studies. The accurate modeling of subduction zones is challenging due to the unique geometry, complicated rheological description and influence of fluid and melt formation. The complicated physics causes problems for the accurate numerical solution of the governing equations. As a consequence it is essential for the subduction zone community to be able to evaluate the ability and limitations of various modeling approaches. The participants of a workshop on the modeling of subduction zones, held at the University of Michigan at Ann Arbor, MI, USA in 2002, formulated a number of case studies to be developed into a benchmark similar to previous mantle convection benchmarks (Blankenbach et al., 1989; Busse et al., 1991; Van Keken et al., 1997). Our initial benchmark focuses on the dynamics of the mantle wedge and investigates three different rheologies: constant viscosity, diffusion creep, and dislocation creep. In addition we investigate the ability of codes to accurate model dynamic pressure and advection dominated flows. Proceedings of the workshop and the formulation of the benchmark are available at www.geo.lsa.umich.edu/~keken/subduction02.html We strongly encourage interested research groups to participate in this benchmark. At Nice 2003 we will provide an update and first set of benchmark results. Interested researchers are encouraged to contact one of the authors for further details.

  1. Benchmarking: A Method for Continuous Quality Improvement in Health

    PubMed Central

    Ettorchi-Tardy, Amina; Levif, Marie; Michel, Philippe

    2012-01-01

    Benchmarking, a management approach for implementing best practices at best cost, is a recent concept in the healthcare system. The objectives of this paper are to better understand the concept and its evolution in the healthcare sector, to propose an operational definition, and to describe some French and international experiences of benchmarking in the healthcare sector. To this end, we reviewed the literature on this approach's emergence in the industrial sector, its evolution, its fields of application and examples of how it has been used in the healthcare sector. Benchmarking is often thought to consist simply of comparing indicators and is not perceived in its entirety, that is, as a tool based on voluntary and active collaboration among several organizations to create a spirit of competition and to apply best practices. The key feature of benchmarking is its integration within a comprehensive and participatory policy of continuous quality improvement (CQI). Conditions for successful benchmarking focus essentially on careful preparation of the process, monitoring of the relevant indicators, staff involvement and inter-organizational visits. Compared to methods previously implemented in France (CQI and collaborative projects), benchmarking has specific features that set it apart as a healthcare innovation. This is especially true for healthcare or medical–social organizations, as the principle of inter-organizational visiting is not part of their culture. Thus, this approach will need to be assessed for feasibility and acceptability before it is more widely promoted. PMID:23634166

  2. Benchmarking glycemic control in u.s. Hospitals.

    PubMed

    Bersoux, Sophie; Cook, Curtiss B; Kongable, Gail L; Shu, Jianfen; Zito, Denise R

    2014-09-01

    Report data on glucose control from 635 U.S. hospitals. Point-of-care blood glucose (POC-BG) test data from January through December 2012 from 635 facilities were extracted. Glucose control was evaluated using patient-day-weighted mean POC-BG values. We calculated hypoglycemia and hyperglycemia rates, stratified by presence or absence of intensive care unit (ICU) admission, and we evaluated the relationship between glycemic control and hospital characteristics. In total, 51,375,764 POC-BG measurements (non-ICU, 39,197,762; ICU, 12,178,002) from 2,612,966 patients (non-ICU, 2,415,209; ICU, 575,084) were analyzed. The mean POC-BG was 167 mg/dL for non-ICU patients and 170 mg/dL for ICU patients. The prevalence of hyperglycemia (defined as glucose value >180 mg/dL) was 32.3 and 28.2% in non-ICU and ICU patients, respectively. The prevalence of hypoglycemia (defined as glucose value <70 mg/dL) was 6.1 and 5.6% in non-ICU and ICU patients, respectively. In non-ICU and ICU settings, the patient-day-weighted mean glucose was highest in the smallest hospitals, in rural hospitals, and in hospitals located in the Northeast (all P<.01). For non-ICU patients, we observed a significant difference in the percentage of patient days with hypoglycemia by geographic region only (P<.001). In ICU patients, the prevalence of hypoglycemia varied significantly by hospital type (P<.03) and geographic region (P<.01). In this largest POC-BG data set analysis conducted to date, glycemic control varied according to hospital characteristics. Our findings remain consistent with previous reports. Among other variables, national benchmarking of inpatient glucose data will need to consider differences in hospital characteristics.

  3. Stochastic Set-Based Particle Swarm Optimization Based on Local Exploration for Solving the Carpool Service Problem.

    PubMed

    Chou, Sheng-Kai; Jiau, Ming-Kai; Huang, Shih-Chia

    2016-08-01

    The growing ubiquity of vehicles has led to increased concerns about environmental issues. These concerns can be mitigated by implementing an effective carpool service. In an intelligent carpool system, an automated service process assists carpool participants in determining routes and matches. It is a discrete optimization problem that involves a system-wide condition as well as participants' expectations. In this paper, we solve the carpool service problem (CSP) to provide satisfactory ride matches. To this end, we developed a particle swarm carpool algorithm based on stochastic set-based particle swarm optimization (PSO). Our method introduces stochastic coding to augment traditional particles, and uses three terminologies to represent a particle: 1) particle position; 2) particle view; and 3) particle velocity. In this way, the set-based PSO (S-PSO) can be realized by local exploration. In the simulation and experiments, two kind of discrete PSOs-S-PSO and binary PSO (BPSO)-and a genetic algorithm (GA) are compared and examined using tested benchmarks that simulate a real-world metropolis. We observed that the S-PSO outperformed the BPSO and the GA thoroughly. Moreover, our method yielded the best result in a statistical test and successfully obtained numerical results for meeting the optimization objectives of the CSP.

  4. Variation in assessment and standard setting practices across UK undergraduate medicine and the need for a benchmark

    PubMed Central

    2015-01-01

    Objectives The principal aim of this study is to provide an account of variation in UK undergraduate medical assessment styles and corresponding standard setting approaches with a view to highlighting the importance of a UK national licensing exam in recognizing a common standard. Methods Using a secure online survey system, response data were collected during the period 13 - 30 January 2014 from selected specialists in medical education assessment, who served as representatives for their respective medical schools. Results Assessment styles and corresponding choices of standard setting methods vary markedly across UK medical schools. While there is considerable consensus on the application of compensatory approaches, individual schools display their own nuances through use of hybrid assessment and standard setting styles, uptake of less popular standard setting techniques and divided views on norm referencing. Conclusions The extent of variation in assessment and standard setting practices across UK medical schools validates the concern that there is a lack of evidence that UK medical students achieve a common standard on graduation. A national licensing exam is therefore a viable option for benchmarking the performance of all UK undergraduate medical students. PMID:26520472

  5. Comparative Benchmark Dose Modeling as a Tool to Make the First Estimate of Safe Human Exposure Levels to Lunar Dust

    NASA Technical Reports Server (NTRS)

    James, John T.; Lam, Chiu-wing; Scully, Robert R.

    2013-01-01

    Brief exposures of Apollo Astronauts to lunar dust occasionally elicited upper respiratory irritation; however, no limits were ever set for prolonged exposure ot lunar dust. Habitats for exploration, whether mobile of fixed must be designed to limit human exposure to lunar dust to safe levels. We have used a new technique we call Comparative Benchmark Dose Modeling to estimate safe exposure limits for lunar dust collected during the Apollo 14 mission.

  6. A novel approach for establishing benchmark CBCT/CT deformable image registrations in prostate cancer radiotherapy

    NASA Astrophysics Data System (ADS)

    Kim, Jinkoo; Kumar, Sanath; Liu, Chang; Zhong, Hualiang; Pradhan, Deepak; Shah, Mira; Cattaneo, Richard; Yechieli, Raphael; Robbins, Jared R.; Elshaikh, Mohamed A.; Chetty, Indrin J.

    2013-11-01

    Deformable image registration (DIR) is an integral component for adaptive radiation therapy. However, accurate registration between daily cone-beam computed tomography (CBCT) and treatment planning CT is challenging, due to significant daily variations in rectal and bladder fillings as well as the increased noise levels in CBCT images. Another significant challenge is the lack of ‘ground-truth’ registrations in the clinical setting, which is necessary for quantitative evaluation of various registration algorithms. The aim of this study is to establish benchmark registrations of clinical patient data. Three pairs of CT/CBCT datasets were chosen for this institutional review board approved retrospective study. On each image, in order to reduce the contouring uncertainty, ten independent sets of organs were manually delineated by five physicians. The mean contour set for each image was derived from the ten contours. A set of distinctive points (round natural calcifications and three implanted prostate fiducial markers) were also manually identified. The mean contours and point features were then incorporated as constraints into a B-spline based DIR algorithm. Further, a rigidity penalty was imposed on the femurs and pelvic bones to preserve their rigidity. A piecewise-rigid registration approach was adapted to account for the differences in femur pose and the sliding motion between bones. For each registration, the magnitude of the spatial Jacobian (|JAC|) was calculated to quantify the tissue compression and expansion. Deformation grids and finite-element-model-based unbalanced energy maps were also reviewed visually to evaluate the physical soundness of the resultant deformations. Organ DICE indices (indicating the degree of overlap between registered organs) and residual misalignments of the fiducial landmarks were quantified. Manual organ delineation on CBCT images varied significantly among physicians with overall mean DICE index of only 0.7 among redundant contours. Seminal vesicle contours were found to have the lowest correlation amongst physicians (DICE = 0.5). After DIR, the organ surfaces between CBCT and planning CT were in good alignment with mean DICE indices of 0.9 for prostate, rectum, and bladder, and 0.8 for seminal vesicles. The Jacobian magnitudes |JAC| in the prostate, rectum, and seminal vesicles were in the range of 0.4-1.5, indicating mild compression/expansion. The bladder volume differences were larger between CBCT and CT images with mean |JAC| values of 2.2, 0.7, and 1.0 for three respective patients. Bone deformation was negligible (|JAC| = ˜ 1.0). The difference between corresponding landmark points between CBCT and CT was less than 1.0 mm after DIR. We have presented a novel method of establishing benchmark DIR accuracy between CT and CBCT images in the pelvic region. The method incorporates manually delineated organ surfaces and landmark points as well as pixel similarity in the optimization, while ensuring bone rigidity and avoiding excessive deformation in soft tissue organs. Redundant contouring is necessary to reduce the overall registration uncertainty.

  7. A novel approach for establishing benchmark CBCT/CT deformable image registrations in prostate cancer radiotherapy

    PubMed Central

    Kim, Jinkoo; Kumar, Sanath; Liu, Chang; Zhong, Hualiang; Pradhan, Deepak; Shah, Mira; Cattaneo, Richard; Yechieli, Raphael; Robbins, Jared R.; Elshaikh, Mohamed A.; Chetty, Indrin J.

    2014-01-01

    Purpose Deformable image registration (DIR) is an integral component for adaptive radiation therapy. However, accurate registration between daily cone-beam computed tomography (CBCT) and treatment planning CT is challenging, due to significant daily variations in rectal and bladder fillings as well as the increased noise levels in CBCT images. Another significant challenge is the lack of “ground-truth” registrations in the clinical setting, which is necessary for quantitative evaluation of various registration algorithms. The aim of this study is to establish benchmark registrations of clinical patient data. Materials/Methods Three pairs of CT/CBCT datasets were chosen for this IRB-approved retrospective study. On each image, in order to reduce the contouring uncertainty, ten independent sets of organs were manually delineated by five physicians. The mean contour set for each image was derived from the ten contours. A set of distinctive points (round natural calcifications and 3 implanted prostate fiducial markers) were also manually identified. The mean contours and point features were then incorporated as constraints into a B-spline based DIR algorithm. Further, a rigidity penalty was imposed on the femurs and pelvic bones to preserve their rigidity. A piecewise-rigid registration approach was adapted to account for the differences in femur pose and the sliding motion between bones. For each registration, the magnitude of the spatial Jacobian (|JAC|) was calculated to quantify the tissue compression and expansion. Deformation grids and finite-element-model-based unbalanced energy maps were also reviewed visually to evaluate the physical soundness of the resultant deformations. Organ DICE indices (indicating the degree of overlap between registered organs) and residual misalignments of the fiducial landmarks were quantified. Results Manual organ delineation on CBCT images varied significantly among physicians with overall mean DICE index of only 0.7 among redundant contours. Seminal vesicle contours were found to have the lowest correlation amongst physicians (DICE=0.5). After DIR, the organ surfaces between CBCT and planning CT were in good alignment with mean DICE indices of 0.9 for prostate, rectum, and bladder, and 0.8 for seminal vesicles. The Jacobian magnitudes |JAC| in the prostate, rectum, and seminal vesicles were in the range of 0.4–1.5, indicating mild compression/expansion. The bladder volume differences were larger between CBCT and CT images with mean |JAC| values of 2.2, 0.7, and 1.0 for three respective patients. Bone deformation was negligible (|JAC|=~1.0). The difference between corresponding landmark points between CBCT and CT was less than 1.0 mm after DIR. Conclusions We have presented a novel method of establishing benchmark deformable image registration accuracy between CT and CBCT images in the pelvic region. The method incorporates manually delineated organ surfaces and landmark points as well as pixel similarity in the optimization, while ensuring bone rigidity and avoiding excessive deformation in soft tissue organs. Redundant contouring is necessary to reduce the overall registration uncertainty. PMID:24171908

  8. The PPP Simulator: User’s Manual and Report

    DTIC Science & Technology

    1986-11-01

    simulator: Script started on Thu Aug 28 09:16:15 1986 1 ji] -> ppp -d Benchmarks/Par/ccon6.w pau load /a/hprg’fagin/ PPPl /Benchmarks/Par,’concatOP .w Capace...EOF ) putc( c, stdout ) #else if(( fp = fopen("/a/hprg/fagin/ PPPl /notes’, fir" ))!NULL) while(( c = getc(fp)) != EOF ) putc( c, stdout ) #erndif if...hprg/fagin/ PPPl /bitl.d’, fir" ) =NULL) lddsptbl( fp, bi-tbl ); while((--argc > 0) && ((*.+argv)[0]= -I for( s =argv[0]+l; *s!=’\\0’ s++ A -A Aug 18 16

  9. A Field-Based Aquatic Life Benchmark for Conductivity in ...

    EPA Pesticide Factsheets

    This report adapts the standard U.S. EPA methodology for deriving ambient water quality criteria. Rather than use toxicity test results, the adaptation uses field data to determine the loss of 5% of genera from streams. The method is applied to derive effect benchmarks for dissolved salts as measured by conductivity in Central Appalachian streams using data from West Virginia and Kentucky. This report provides scientific evidence for a conductivity benchmark in a specific region rather than for the entire United States.

  10. Interactive visual optimization and analysis for RFID benchmarking.

    PubMed

    Wu, Yingcai; Chung, Ka-Kei; Qu, Huamin; Yuan, Xiaoru; Cheung, S C

    2009-01-01

    Radio frequency identification (RFID) is a powerful automatic remote identification technique that has wide applications. To facilitate RFID deployment, an RFID benchmarking instrument called aGate has been invented to identify the strengths and weaknesses of different RFID technologies in various environments. However, the data acquired by aGate are usually complex time varying multidimensional 3D volumetric data, which are extremely challenging for engineers to analyze. In this paper, we introduce a set of visualization techniques, namely, parallel coordinate plots, orientation plots, a visual history mechanism, and a 3D spatial viewer, to help RFID engineers analyze benchmark data visually and intuitively. With the techniques, we further introduce two workflow procedures (a visual optimization procedure for finding the optimum reader antenna configuration and a visual analysis procedure for comparing the performance and identifying the flaws of RFID devices) for the RFID benchmarking, with focus on the performance analysis of the aGate system. The usefulness and usability of the system are demonstrated in the user evaluation.

  11. Analyzing the BBOB results by means of benchmarking concepts.

    PubMed

    Mersmann, O; Preuss, M; Trautmann, H; Bischl, B; Weihs, C

    2015-01-01

    We present methods to answer two basic questions that arise when benchmarking optimization algorithms. The first one is: which algorithm is the "best" one? and the second one is: which algorithm should I use for my real-world problem? Both are connected and neither is easy to answer. We present a theoretical framework for designing and analyzing the raw data of such benchmark experiments. This represents a first step in answering the aforementioned questions. The 2009 and 2010 BBOB benchmark results are analyzed by means of this framework and we derive insight regarding the answers to the two questions. Furthermore, we discuss how to properly aggregate rankings from algorithm evaluations on individual problems into a consensus, its theoretical background and which common pitfalls should be avoided. Finally, we address the grouping of test problems into sets with similar optimizer rankings and investigate whether these are reflected by already proposed test problem characteristics, finding that this is not always the case.

  12. Encoding color information for visual tracking: Algorithms and benchmark.

    PubMed

    Liang, Pengpeng; Blasch, Erik; Ling, Haibin

    2015-12-01

    While color information is known to provide rich discriminative clues for visual inference, most modern visual trackers limit themselves to the grayscale realm. Despite recent efforts to integrate color in tracking, there is a lack of comprehensive understanding of the role color information can play. In this paper, we attack this problem by conducting a systematic study from both the algorithm and benchmark perspectives. On the algorithm side, we comprehensively encode 10 chromatic models into 16 carefully selected state-of-the-art visual trackers. On the benchmark side, we compile a large set of 128 color sequences with ground truth and challenge factor annotations (e.g., occlusion). A thorough evaluation is conducted by running all the color-encoded trackers, together with two recently proposed color trackers. A further validation is conducted on an RGBD tracking benchmark. The results clearly show the benefit of encoding color information for tracking. We also perform detailed analysis on several issues, including the behavior of various combinations between color model and visual tracker, the degree of difficulty of each sequence for tracking, and how different challenge factors affect the tracking performance. We expect the study to provide the guidance, motivation, and benchmark for future work on encoding color in visual tracking.

  13. AN OVERVIEW OF THE DEVELOPMENT, STATUS, AND APPLICATION OF EQUILIBRIUM PARTITIONING SEDIMENT BENCHMARKS FOR PAH MIXTURES

    EPA Science Inventory

    This article provides an overview of the development, theoretical basis, regulatory status, and application of the U.S. Environmental Protection Agency's (USEPA's)< Equilibrium Partitioning Sediment Benchmarks (ESBs) for PAH mixtures. ESBs are compared to other sediment quality g...

  14. Testing and Benchmarking a 2014 GM Silverado 6L80 Six Speed Automatic Transmission

    EPA Science Inventory

    Describe the method and test results of EPA’s partial transmission benchmarking process which involves installing both the engine and transmission in an engine dynamometer test cell with the engine wire harness tethered to its vehicle parked outside the test cell.

  15. Approximate l-fold cross-validation with Least Squares SVM and Kernel Ridge Regression

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

    Edwards, Richard E; Zhang, Hao; Parker, Lynne Edwards

    2013-01-01

    Kernel methods have difficulties scaling to large modern data sets. The scalability issues are based on computational and memory requirements for working with a large matrix. These requirements have been addressed over the years by using low-rank kernel approximations or by improving the solvers scalability. However, Least Squares Support VectorMachines (LS-SVM), a popular SVM variant, and Kernel Ridge Regression still have several scalability issues. In particular, the O(n^3) computational complexity for solving a single model, and the overall computational complexity associated with tuning hyperparameters are still major problems. We address these problems by introducing an O(n log n) approximate l-foldmore » cross-validation method that uses a multi-level circulant matrix to approximate the kernel. In addition, we prove our algorithm s computational complexity and present empirical runtimes on data sets with approximately 1 million data points. We also validate our approximate method s effectiveness at selecting hyperparameters on real world and standard benchmark data sets. Lastly, we provide experimental results on using a multi-level circulant kernel approximation to solve LS-SVM problems with hyperparameters selected using our method.« less

  16. The adenosine triphosphate test is a rapid and reliable audit tool to assess manual cleaning adequacy of flexible endoscope channels.

    PubMed

    Alfa, Michelle J; Fatima, Iram; Olson, Nancy

    2013-03-01

    The study objective was to verify that the adenosine triphosphate (ATP) benchmark of <200 relative light units (RLUs) was achievable in a busy endoscopy clinic that followed the manufacturer's manual cleaning instructions. All channels from patient-used colonoscopes (20) and duodenoscopes (20) in a tertiary care hospital endoscopy clinic were sampled after manual cleaning and tested for residual ATP. The ATP test benchmark for adequate manual cleaning was set at <200 RLUs. The benchmark for protein was <6.4 μg/cm(2), and, for bioburden, it was <4-log10 colony-forming units/cm(2). Our data demonstrated that 96% (115/120) of channels from 20 colonoscopes and 20 duodenoscopes evaluated met the ATP benchmark of <200 RLUs. The 5 channels that exceeded 200 RLUs were all elevator guide-wire channels. All 120 of the manually cleaned endoscopes tested had protein and bioburden levels that were compliant with accepted benchmarks for manual cleaning for suction-biopsy, air-water, and auxiliary water channels. Our data confirmed that, by following the endoscope manufacturer's manual cleaning recommendations, 96% of channels in gastrointestinal endoscopes would have <200 RLUs for the ATP test kit evaluated and would meet the accepted clean benchmarks for protein and bioburden. Copyright © 2013 Association for Professionals in Infection Control and Epidemiology, Inc. Published by Mosby, Inc. All rights reserved.

  17. High-Precision Half-Life Measurement for the Superallowed β+ Emitter Alm26

    NASA Astrophysics Data System (ADS)

    Finlay, P.; Ettenauer, S.; Ball, G. C.; Leslie, J. R.; Svensson, C. E.; Andreoiu, C.; Austin, R. A. E.; Bandyopadhyay, D.; Cross, D. S.; Demand, G.; Djongolov, M.; Garrett, P. E.; Green, K. L.; Grinyer, G. F.; Hackman, G.; Leach, K. G.; Pearson, C. J.; Phillips, A. A.; Sumithrarachchi, C. S.; Triambak, S.; Williams, S. J.

    2011-01-01

    A high-precision half-life measurement for the superallowed β+ emitter Alm26 was performed at the TRIUMF-ISAC radioactive ion beam facility yielding T1/2=6346.54±0.46stat±0.60systms, consistent with, but 2.5 times more precise than, the previous world average. The Alm26 half-life and ft value, 3037.53(61) s, are now the most precisely determined for any superallowed β decay. Combined with recent theoretical corrections for isospin-symmetry-breaking and radiative effects, the corrected Ft value for Alm26, 3073.0(12) s, sets a new benchmark for the high-precision superallowed Fermi β-decay studies used to test the conserved vector current hypothesis and determine the Vud element of the Cabibbo-Kobayashi-Maskawa quark mixing matrix.

  18. Search for a Higgs Boson in the Diphoton Final State in p-pbar Collisions at \\(\\sqrt{s}=1.96\\) TeV

    DOE PAGES

    Aaltonen, T.

    2012-01-04

    A search for a narrow Higgs boson resonance in the diphoton mass spectrum is presented based on data corresponding to 7.0 fb -1 of integrated luminosity from pp⁻ collisions at \\(\\sqrt{s}=1.96\\) TeV collected by the CDF experiment. No evidence of such a resonance is observed, and upper limits are set on the cross section times branching ratio of the resonant state as a function of Higgs boson mass. The limits are interpreted in the context of the standard model and one fermiophobic benchmark model where the data exclude fermiophobic Higgs bosons with masses below 114 GeV/c 2 at a 95%more » Bayesian credibility level.« less

  19. Education and Decision-Making: An Experimental Study on the Framing Effect in China

    PubMed Central

    Fan, Wen

    2017-01-01

    China’s higher education expansion policy has been in effect for almost two decades. Under this policy, a growing number of youths have gained access to higher education, which aims to train students to be more rational. This study examines human rationality at a Chinese college through an experiment based on the risky-choice framing effect. The basic results show no classical framing effect with regard to individual decisions for the entire sample in a benchmark setting. However, when the participants’ roles were manipulated and subsamples were investigated, a significant framing effect was found that appeared to be role-related and that varied by sex. These results help to elucidate evaluations of the effects of China’s higher education policy and may assist in guiding further policy reforms. PMID:28553247

  20. Search for a Higgs boson in the diphoton final state in pp collisions at sqrt[s]=1.96  TeV.

    PubMed

    Aaltonen, T; Alvarez González, B; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Appel, J A; Apresyan, A; Arisawa, T; Artikov, A; Asaadi, J; Ashmanskas, W; Auerbach, B; Aurisano, A; Azfar, F; Badgett, W; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Barria, P; Bartos, P; Bauce, M; Bauer, G; Bedeschi, F; Beecher, D; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Bhatti, A; Binkley, M; Bisello, D; Bizjak, I; Bland, K R; Blumenfeld, B; Bocci, A; Bodek, A; Bortoletto, D; Boudreau, J; Boveia, A; Brigliadori, L; Brisuda, A; Bromberg, C; Brucken, E; Bucciantonio, M; Budagov, J; Budd, H S; Budd, S; Burkett, K; Busetto, G; Bussey, P; Buzatu, A; Calancha, C; Camarda, S; Campanelli, M; Campbell, M; Canelli, F; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Carron, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Chlebana, F; Cho, K; Chokheli, D; Chou, J P; Chung, W H; Chung, Y S; Ciobanu, C I; Ciocci, M A; Clark, A; Clarke, C; Compostella, G; Convery, M E; Conway, J; Corbo, M; Cordelli, M; Cox, C A; Cox, D J; Crescioli, F; Cuenca Almenar, C; Cuevas, J; Culbertson, R; Dagenhart, D; d'Ascenzo, N; Datta, M; de Barbaro, P; De Cecco, S; De Lorenzo, G; Dell'orso, M; Deluca, C; Demortier, L; Deng, J; Deninno, M; Devoto, F; d'Errico, M; Di Canto, A; Di Ruzza, B; Dittmann, J R; D'Onofrio, M; Donati, S; Dong, P; Dorigo, M; Dorigo, T; Ebina, K; Elagin, A; Eppig, A; Erbacher, R; Errede, D; Errede, S; Ershaidat, N; Eusebi, R; Fang, H C; Farrington, S; Feindt, M; Fernandez, J P; Ferrazza, C; Field, R; Flanagan, G; Forrest, R; Frank, M J; Franklin, M; Freeman, J C; Funakoshi, Y; Furic, I; Gallinaro, M; Galyardt, J; Garcia, J E; Garfinkel, A F; Garosi, P; Gerberich, H; Gerchtein, E; Giagu, S; Giakoumopoulou, V; Giannetti, P; Gibson, K; Ginsburg, C M; Giokaris, N; Giromini, P; Giunta, M; Giurgiu, G; Glagolev, V; Glenzinski, D; Gold, M; Goldin, D; Goldschmidt, N; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González, O; Gorelov, I; Goshaw, A T; Goulianos, K; Grinstein, S; Grosso-Pilcher, C; Group, R C; Guimaraes da Costa, J; Gunay-Unalan, Z; Haber, C; Hahn, S R; Halkiadakis, E; Hamaguchi, A; Han, J Y; Happacher, F; Hara, K; Hare, D; Hare, M; Harr, R F; Hatakeyama, K; Hays, C; Heck, M; Heinrich, J; Herndon, M; Hewamanage, S; Hidas, D; Hocker, A; Hopkins, W; Horn, D; Hou, S; Hughes, R E; Hurwitz, M; Husemann, U; Hussain, N; Hussein, M; Huston, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jang, D; Jayatilaka, B; Jeon, E J; Jha, M K; Jindariani, S; Johnson, W; Jones, M; Joo, K K; Jun, S Y; Junk, T R; Kamon, T; Karchin, P E; Kasmi, A; Kato, Y; Ketchum, W; Keung, J; Khotilovich, V; Kilminster, B; Kim, D H; Kim, H S; Kim, H W; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kimura, N; Kirby, M; Klimenko, S; Kondo, K; Kong, D J; Konigsberg, J; Kotwal, A V; Kreps, M; Kroll, J; Krop, D; Krumnack, N; Kruse, M; Krutelyov, V; Kuhr, T; Kurata, M; Kwang, S; Laasanen, A T; Lami, S; Lammel, S; Lancaster, M; Lander, R L; Lannon, K; Lath, A; Latino, G; Lecompte, T; Lee, E; Lee, H S; Lee, J S; Lee, S W; Leo, S; Leone, S; Lewis, J D; Limosani, A; Lin, C-J; Linacre, J; Lindgren, M; Lipeles, E; Lister, A; Litvintsev, D O; Liu, C; Liu, Q; Liu, T; Lockwitz, S; Loginov, A; Lucchesi, D; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lys, J; Lysak, R; Madrak, R; Maeshima, K; Makhoul, K; Malik, S; Manca, G; Manousakis-Katsikakis, A; Margaroli, F; Marino, C; Martínez, M; Martínez-Ballarín, R; Mastrandrea, P; Mattson, M E; Mazzanti, P; McFarland, K S; McIntyre, P; McNulty, R; Mehta, A; Mehtala, P; Menzione, A; Mesropian, C; Miao, T; Mietlicki, D; Mitra, A; Miyake, H; Moed, S; Moggi, N; Mondragon, M N; Moon, C S; Moore, R; Morello, M J; Morlock, J; Movilla Fernandez, P; Mukherjee, A; Muller, Th; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Naganoma, J; Nakano, I; Napier, A; Nett, J; Neu, C; Neubauer, M S; Nielsen, J; Nodulman, L; Norniella, O; Nurse, E; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Ortolan, L; Pagan Griso, S; Pagliarone, C; Palencia, E; Papadimitriou, V; Paramonov, A A; Patrick, J; Pauletta, G; Paulini, M; Paus, C; Pellett, D E; Penzo, A; Phillips, T J; Piacentino, G; Pianori, E; Pilot, J; Pitts, K; Plager, C; Pondrom, L; Poprocki, S; Potamianos, K; Poukhov, O; Prokoshin, F; Pronko, A; Ptohos, F; Pueschel, E; Punzi, G; Pursley, J; Rahaman, A; Ramakrishnan, V; Ranjan, N; Ray, J; Redondo, I; Renton, P; Rescigno, M; Riddick, T; Rimondi, F; Ristori, L; Robson, A; Rodrigo, T; Rodriguez, T; Rogers, E; Rolli, S; Roser, R; Rossi, M; Rubbo, F; Ruffini, F; Ruiz, A; Russ, J; Rusu, V; Safonov, A; Sakumoto, W K; Sakurai, Y; Santi, L; Sartori, L; Sato, K; Saveliev, V; Savoy-Navarro, A; Schlabach, P; Schmidt, A; Schmidt, E E; Schmidt, M P; Schmitt, M; Schwarz, T; Scodellaro, L; Scribano, A; Scuri, F; Sedov, A; Seidel, S; Seiya, Y; Semenov, A; Sforza, F; Sfyrla, A; Shalhout, S Z; Shears, T; Shepard, P F; Shimojima, M; Shiraishi, S; Shochet, M; Shreyber, I; Simonenko, A; Sinervo, P; Sissakian, A; Sliwa, K; Smith, J R; Snider, F D; Soha, A; Somalwar, S; Sorin, V; Squillacioti, P; Stancari, M; Stanitzki, M; St Denis, R; Stelzer, B; Stelzer-Chilton, O; Stentz, D; Strologas, J; Strycker, G L; Sudo, Y; Sukhanov, A; Suslov, I; Takemasa, K; Takeuchi, Y; Tang, J; Tecchio, M; Teng, P K; Thom, J; Thome, J; Thompson, G A; Thomson, E; Ttito-Guzmán, P; Tkaczyk, S; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Totaro, P; Trovato, M; Tu, Y; Ukegawa, F; Uozumi, S; Varganov, A; Vázquez, F; Velev, G; Vellidis, C; Vidal, M; Vila, I; Vilar, R; Vizán, J; Vogel, M; Volpi, G; Wagner, P; Wagner, R L; Wakisaka, T; Wallny, R; Wang, S M; Warburton, A; Waters, D; Weinberger, M; Wester, W C; Whitehouse, B; Whiteson, D; Wicklund, A B; Wicklund, E; Wilbur, S; Wick, F; Williams, H H; Wilson, J S; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, H; Wright, T; Wu, X; Wu, Z; Yamamoto, K; Yamaoka, J; Yang, T; Yang, U K; Yang, Y C; Yao, W-M; Yeh, G P; Yi, K; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Yu, S S; Yun, J C; Zanetti, A; Zeng, Y; Zucchelli, S

    2012-01-06

    A search for a narrow Higgs boson resonance in the diphoton mass spectrum is presented based on data corresponding to 7.0  fb{-1} of integrated luminosity from pp collisions at sqrt[s]=1.96  TeV collected by the CDF experiment. No evidence of such a resonance is observed, and upper limits are set on the cross section times branching ratio of the resonant state as a function of Higgs boson mass. The limits are interpreted in the context of the standard model and one fermiophobic benchmark model where the data exclude fermiophobic Higgs bosons with masses below 114  GeV/c{2} at a 95% Bayesian credibility level.

  1. Exploring the impact of a pedometer on body composition and physical fitness in a cohort of U.S. military medical students: a pilot study.

    PubMed

    Lystrup, Robert; West, Gordon F; Ward, Matthew; Hall, Jennifer; Stephens, Mark

    2015-01-01

    Military medical professionals play a central role in preventing and treating obesity among America's warriors through training, medical care, and their personal example. Unfortunately, medical students in both undergraduate and graduate settings often experience declines in physical fitness. Pedometry has been demonstrated as one means of promoting fitness with 10,000 steps/day generally accepted as a key benchmark. With this in mind, we used pedometry as an incentive during the preclinical years to encourage students to adopt a more active lifestyle. Findings suggest that participants that consistently report meeting the 10,000 steps/day maintained or improved their aerobic fitness. Reprint & Copyright © 2015 Association of Military Surgeons of the U.S.

  2. Search for Production of Resonant States in the Photon-Jet Mass Distribution Using p p Collisions at s = 7 TeV Collected by the ATLAS Detector

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

    Aad, G.; Abbott, B.; Abdallah, J.

    2012-05-22

    This Letter describes a model-independent search for the production of new resonant states in photon + jet events in 2.11 fb -1 of proton-proton collisions at √ s = 7 TeV . We compare the photon + jet mass distribution to a background model derived from data and find consistency with the background-only hypothesis. Given the lack of evidence for a signal, we set 95% credibility level limits on generic Gaussian-shaped signals and on a benchmark excited-quark ( q * ) model, excluding 2 TeV Gaussian resonances with cross section times branching fraction times acceptance times efficiency near 5 fbmore » and excluding q * masses below 2.46 TeV, respectively.« less

  3. PHISICS/RELAP5-3D RESULTS FOR EXERCISES II-1 AND II-2 OF THE OECD/NEA MHTGR-350 BENCHMARK

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

    Strydom, Gerhard

    2016-03-01

    The Idaho National Laboratory (INL) Advanced Reactor Technologies (ART) High-Temperature Gas-Cooled Reactor (HTGR) Methods group currently leads the Modular High-Temperature Gas-Cooled Reactor (MHTGR) 350 benchmark. The benchmark consists of a set of lattice-depletion, steady-state, and transient problems that can be used by HTGR simulation groups to assess the performance of their code suites. The paper summarizes the results obtained for the first two transient exercises defined for Phase II of the benchmark. The Parallel and Highly Innovative Simulation for INL Code System (PHISICS), coupled with the INL system code RELAP5-3D, was used to generate the results for the Depressurized Conductionmore » Cooldown (DCC) (exercise II-1a) and Pressurized Conduction Cooldown (PCC) (exercise II-2) transients. These exercises require the time-dependent simulation of coupled neutronics and thermal-hydraulics phenomena, and utilize the steady-state solution previously obtained for exercise I-3 of Phase I. This paper also includes a comparison of the benchmark results obtained with a traditional system code “ring” model against a more detailed “block” model that include kinetics feedback on an individual block level and thermal feedbacks on a triangular sub-mesh. The higher spatial fidelity that can be obtained by the block model is illustrated with comparisons of the maximum fuel temperatures, especially in the case of natural convection conditions that dominate the DCC and PCC events. Differences up to 125 K (or 10%) were observed between the ring and block model predictions of the DCC transient, mostly due to the block model’s capability of tracking individual block decay powers and more detailed helium flow distributions. In general, the block model only required DCC and PCC calculation times twice as long as the ring models, and it therefore seems that the additional development and calculation time required for the block model could be worth the gain that can be obtained in the spatial resolution« less

  4. Demonstration of a software design and statistical analysis methodology with application to patient outcomes data sets

    PubMed Central

    Mayo, Charles; Conners, Steve; Warren, Christopher; Miller, Robert; Court, Laurence; Popple, Richard

    2013-01-01

    Purpose: With emergence of clinical outcomes databases as tools utilized routinely within institutions, comes need for software tools to support automated statistical analysis of these large data sets and intrainstitutional exchange from independent federated databases to support data pooling. In this paper, the authors present a design approach and analysis methodology that addresses both issues. Methods: A software application was constructed to automate analysis of patient outcomes data using a wide range of statistical metrics, by combining use of C#.Net and R code. The accuracy and speed of the code was evaluated using benchmark data sets. Results: The approach provides data needed to evaluate combinations of statistical measurements for ability to identify patterns of interest in the data. Through application of the tools to a benchmark data set for dose-response threshold and to SBRT lung data sets, an algorithm was developed that uses receiver operator characteristic curves to identify a threshold value and combines use of contingency tables, Fisher exact tests, Welch t-tests, and Kolmogorov-Smirnov tests to filter the large data set to identify values demonstrating dose-response. Kullback-Leibler divergences were used to provide additional confirmation. Conclusions: The work demonstrates the viability of the design approach and the software tool for analysis of large data sets. PMID:24320426

  5. Demonstration of a software design and statistical analysis methodology with application to patient outcomes data sets.

    PubMed

    Mayo, Charles; Conners, Steve; Warren, Christopher; Miller, Robert; Court, Laurence; Popple, Richard

    2013-11-01

    With emergence of clinical outcomes databases as tools utilized routinely within institutions, comes need for software tools to support automated statistical analysis of these large data sets and intrainstitutional exchange from independent federated databases to support data pooling. In this paper, the authors present a design approach and analysis methodology that addresses both issues. A software application was constructed to automate analysis of patient outcomes data using a wide range of statistical metrics, by combining use of C#.Net and R code. The accuracy and speed of the code was evaluated using benchmark data sets. The approach provides data needed to evaluate combinations of statistical measurements for ability to identify patterns of interest in the data. Through application of the tools to a benchmark data set for dose-response threshold and to SBRT lung data sets, an algorithm was developed that uses receiver operator characteristic curves to identify a threshold value and combines use of contingency tables, Fisher exact tests, Welch t-tests, and Kolmogorov-Smirnov tests to filter the large data set to identify values demonstrating dose-response. Kullback-Leibler divergences were used to provide additional confirmation. The work demonstrates the viability of the design approach and the software tool for analysis of large data sets.

  6. Geminal-spanning orbitals make explicitly correlated reduced-scaling coupled-cluster methods robust, yet simple

    NASA Astrophysics Data System (ADS)

    Pavošević, Fabijan; Neese, Frank; Valeev, Edward F.

    2014-08-01

    We present a production implementation of reduced-scaling explicitly correlated (F12) coupled-cluster singles and doubles (CCSD) method based on pair-natural orbitals (PNOs). A key feature is the reformulation of the explicitly correlated terms using geminal-spanning orbitals that greatly reduce the truncation errors of the F12 contribution. For the standard S66 benchmark of weak intermolecular interactions, the cc-pVDZ-F12 PNO CCSD F12 interaction energies reproduce the complete basis set CCSD limit with mean absolute error <0.1 kcal/mol, and at a greatly reduced cost compared to the conventional CCSD F12.

  7. Introduction to benchmark dose methods and U.S. EPA's benchmark dose software (BMDS) version 2.1.1

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

    Davis, J. Allen, E-mail: davis.allen@epa.gov; Gift, Jeffrey S.; Zhao, Q. Jay

    2011-07-15

    Traditionally, the No-Observed-Adverse-Effect-Level (NOAEL) approach has been used to determine the point of departure (POD) from animal toxicology data for use in human health risk assessments. However, this approach is subject to substantial limitations that have been well defined, such as strict dependence on the dose selection, dose spacing, and sample size of the study from which the critical effect has been identified. Also, the NOAEL approach fails to take into consideration the shape of the dose-response curve and other related information. The benchmark dose (BMD) method, originally proposed as an alternative to the NOAEL methodology in the 1980s, addressesmore » many of the limitations of the NOAEL method. It is less dependent on dose selection and spacing, and it takes into account the shape of the dose-response curve. In addition, the estimation of a BMD 95% lower bound confidence limit (BMDL) results in a POD that appropriately accounts for study quality (i.e., sample size). With the recent advent of user-friendly BMD software programs, including the U.S. Environmental Protection Agency's (U.S. EPA) Benchmark Dose Software (BMDS), BMD has become the method of choice for many health organizations world-wide. This paper discusses the BMD methods and corresponding software (i.e., BMDS version 2.1.1) that have been developed by the U.S. EPA, and includes a comparison with recently released European Food Safety Authority (EFSA) BMD guidance.« less

  8. Quality Assurance Testing of Version 1.3 of U.S. EPA Benchmark Dose Software (Presentation)

    EPA Science Inventory

    EPA benchmark dose software (BMDS) issued to evaluate chemical dose-response data in support of Agency risk assessments, and must therefore be dependable. Quality assurance testing methods developed for BMDS were designed to assess model dependability with respect to curve-fitt...

  9. Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout.

    PubMed

    Mendenhall, Jeffrey; Meiler, Jens

    2016-02-01

    Dropout is an Artificial Neural Network (ANN) training technique that has been shown to improve ANN performance across canonical machine learning (ML) datasets. Quantitative Structure Activity Relationship (QSAR) datasets used to relate chemical structure to biological activity in Ligand-Based Computer-Aided Drug Discovery pose unique challenges for ML techniques, such as heavily biased dataset composition, and relatively large number of descriptors relative to the number of actives. To test the hypothesis that dropout also improves QSAR ANNs, we conduct a benchmark on nine large QSAR datasets. Use of dropout improved both enrichment false positive rate and log-scaled area under the receiver-operating characteristic curve (logAUC) by 22-46 % over conventional ANN implementations. Optimal dropout rates are found to be a function of the signal-to-noise ratio of the descriptor set, and relatively independent of the dataset. Dropout ANNs with 2D and 3D autocorrelation descriptors outperform conventional ANNs as well as optimized fingerprint similarity search methods.

  10. Improving Quantitative Structure-Activity Relationship Models using Artificial Neural Networks Trained with Dropout

    PubMed Central

    Mendenhall, Jeffrey; Meiler, Jens

    2016-01-01

    Dropout is an Artificial Neural Network (ANN) training technique that has been shown to improve ANN performance across canonical machine learning (ML) datasets. Quantitative Structure Activity Relationship (QSAR) datasets used to relate chemical structure to biological activity in Ligand-Based Computer-Aided Drug Discovery (LB-CADD) pose unique challenges for ML techniques, such as heavily biased dataset composition, and relatively large number of descriptors relative to the number of actives. To test the hypothesis that dropout also improves QSAR ANNs, we conduct a benchmark on nine large QSAR datasets. Use of dropout improved both Enrichment false positive rate (FPR) and log-scaled area under the receiver-operating characteristic curve (logAUC) by 22–46% over conventional ANN implementations. Optimal dropout rates are found to be a function of the signal-to-noise ratio of the descriptor set, and relatively independent of the dataset. Dropout ANNs with 2D and 3D autocorrelation descriptors outperform conventional ANNs as well as optimized fingerprint similarity search methods. PMID:26830599

  11. Identifying stereoisomers by ab-initio calculation of secondary isotope shifts on NMR chemical shieldings.

    PubMed

    Böhm, Karl-Heinz; Banert, Klaus; Auer, Alexander A

    2014-04-23

    We present ab-initio calculations of secondary isotope effects on NMR chemical shieldings. The change of the NMR chemical shift of a certain nucleus that is observed if another nucleus is replaced by a different isotope can be calculated by computing vibrational corrections on the NMR parameters using electronic structure methods. We demonstrate that the accuracy of the computational results is sufficient to even distinguish different conformers. For this purpose, benchmark calculations for fluoro(2-2H)ethane in gauche and antiperiplanar conformation are carried out at the HF, MP2 and CCSD(T) level of theory using basis sets ranging from double- to quadruple-zeta quality. The methodology is applied to the secondary isotope shifts for 2-fluoronorbornane in order to resolve an ambiguity in the literature on the assignment of endo- and exo-2-fluoronorbornanes with deuterium substituents in endo-3 and exo-3 positions, also yielding insight into mechanistic details of the corresponding synthesis.

  12. Real-effectiveness medicine--pursuing the best effectiveness in the ordinary care of patients.

    PubMed

    Malmivaara, Antti

    2013-03-01

    Clinical know-how and skills as well as up-to-date scientific evidence are cornerstones for providing effective treatment for patients. However, in order to improve the effectiveness of treatment in ordinary practice, also appropriate documentation of care at the health care units and benchmarking based on this documentation are needed. This article presents the new concept of real-effectiveness medicine (REM) which pursues the best effectiveness of patient care in the real-world setting. In order to reach the goal, four layers of information are utilized: 1) good medical know-how and skills combined with the patient view, 2) up-to-date scientific evidence, 3) continuous documentation of performance in ordinary settings, and 4) benchmarking between providers. The new framework is suggested for clinicians, organizations, policy-makers, and researchers.

  13. Benchmarking health IT among OECD countries: better data for better policy

    PubMed Central

    Adler-Milstein, Julia; Ronchi, Elettra; Cohen, Genna R; Winn, Laura A Pannella; Jha, Ashish K

    2014-01-01

    Objective To develop benchmark measures of health information and communication technology (ICT) use to facilitate cross-country comparisons and learning. Materials and methods The effort is led by the Organisation for Economic Co-operation and Development (OECD). Approaches to definition and measurement within four ICT domains were compared across seven OECD countries in order to identify functionalities in each domain. These informed a set of functionality-based benchmark measures, which were refined in collaboration with representatives from more than 20 OECD and non-OECD countries. We report on progress to date and remaining work to enable countries to begin to collect benchmark data. Results The four benchmarking domains include provider-centric electronic record, patient-centric electronic record, health information exchange, and tele-health. There was broad agreement on functionalities in the provider-centric electronic record domain (eg, entry of core patient data, decision support), and less agreement in the other three domains in which country representatives worked to select benchmark functionalities. Discussion Many countries are working to implement ICTs to improve healthcare system performance. Although many countries are looking to others as potential models, the lack of consistent terminology and approach has made cross-national comparisons and learning difficult. Conclusions As countries develop and implement strategies to increase the use of ICTs to promote health goals, there is a historic opportunity to enable cross-country learning. To facilitate this learning and reduce the chances that individual countries flounder, a common understanding of health ICT adoption and use is needed. The OECD-led benchmarking process is a crucial step towards achieving this. PMID:23721983

  14. Benchmarking routine psychological services: a discussion of challenges and methods.

    PubMed

    Delgadillo, Jaime; McMillan, Dean; Leach, Chris; Lucock, Mike; Gilbody, Simon; Wood, Nick

    2014-01-01

    Policy developments in recent years have led to important changes in the level of access to evidence-based psychological treatments. Several methods have been used to investigate the effectiveness of these treatments in routine care, with different approaches to outcome definition and data analysis. To present a review of challenges and methods for the evaluation of evidence-based treatments delivered in routine mental healthcare. This is followed by a case example of a benchmarking method applied in primary care. High, average and poor performance benchmarks were calculated through a meta-analysis of published data from services working under the Improving Access to Psychological Therapies (IAPT) Programme in England. Pre-post treatment effect sizes (ES) and confidence intervals were estimated to illustrate a benchmarking method enabling services to evaluate routine clinical outcomes. High, average and poor performance ES for routine IAPT services were estimated to be 0.91, 0.73 and 0.46 for depression (using PHQ-9) and 1.02, 0.78 and 0.52 for anxiety (using GAD-7). Data from one specific IAPT service exemplify how to evaluate and contextualize routine clinical performance against these benchmarks. The main contribution of this report is to summarize key recommendations for the selection of an adequate set of psychometric measures, the operational definition of outcomes, and the statistical evaluation of clinical performance. A benchmarking method is also presented, which may enable a robust evaluation of clinical performance against national benchmarks. Some limitations concerned significant heterogeneity among data sources, and wide variations in ES and data completeness.

  15. Benchmarking health IT among OECD countries: better data for better policy.

    PubMed

    Adler-Milstein, Julia; Ronchi, Elettra; Cohen, Genna R; Winn, Laura A Pannella; Jha, Ashish K

    2014-01-01

    To develop benchmark measures of health information and communication technology (ICT) use to facilitate cross-country comparisons and learning. The effort is led by the Organisation for Economic Co-operation and Development (OECD). Approaches to definition and measurement within four ICT domains were compared across seven OECD countries in order to identify functionalities in each domain. These informed a set of functionality-based benchmark measures, which were refined in collaboration with representatives from more than 20 OECD and non-OECD countries. We report on progress to date and remaining work to enable countries to begin to collect benchmark data. The four benchmarking domains include provider-centric electronic record, patient-centric electronic record, health information exchange, and tele-health. There was broad agreement on functionalities in the provider-centric electronic record domain (eg, entry of core patient data, decision support), and less agreement in the other three domains in which country representatives worked to select benchmark functionalities. Many countries are working to implement ICTs to improve healthcare system performance. Although many countries are looking to others as potential models, the lack of consistent terminology and approach has made cross-national comparisons and learning difficult. As countries develop and implement strategies to increase the use of ICTs to promote health goals, there is a historic opportunity to enable cross-country learning. To facilitate this learning and reduce the chances that individual countries flounder, a common understanding of health ICT adoption and use is needed. The OECD-led benchmarking process is a crucial step towards achieving this.

  16. Measuring comparative hospital performance.

    PubMed

    Griffith, John R; Alexander, Jeffrey A; Jelinek, Richard C

    2002-01-01

    Leading healthcare provider organizations now use a "balanced scorecard" of performance measures, expanding information reviewed at the governance level to include financial, customer, and internal performance information, as well as providing an opportunity to learn and grow to provide better strategic guidance. The approach, successfully used by other industries, uses competitor data and benchmarks to identify opportunities for improved mission achievement. This article evaluates one set of nine multidimensional hospital performance measures derived from Medicare reports (cash flow, asset turnover, mortality, complications, length of inpatient stay, cost per case, occupancy, change in occupancy, and percent of revenue from outpatient care). The study examines the content validity, reliability and sensitivity, validity of comparison, and independence and concludes that seven of the nine measures (all but the two occupancy measures) represent a potentially useful set for evaluating most U.S. hospitals. This set reflects correctable differences in performance between hospitals serving similar populations, that is, the measures reflect relative performance and identify opportunities to make the organization more successful.

  17. A search for \\( t\\overline{t} \\) resonances using lepton-plus-jets events in proton-proton collisions at \\( \\sqrt{s}=8 \\) TeV with the ATLAS detector

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

    Aad, G.

    A search for new particles that decay into top quark pairs is reported. The search is performed with the ATLAS experiment at the LHC using an integrated luminosity of 20.3 fb -1 of proton-proton collision data collected at a centre-of-mass energy of \\( \\sqrt{s}=8 \\) TeV. The lepton-plus-jets final state is used, where the top pair decays to \\( {W}^{+}b{W}^{-}\\overline{b} \\), with one W boson decaying leptonically and the other hadronically. The invariant mass spectrum of top quark pairs is examined for local excesses or deficits that are inconsistent with the Standard Model predictions. No evidence for a top quarkmore » pair resonance is found, and 95% confidence-level limits on the production rate are determined for massive states in benchmark models. The upper limits on the cross-section times branching ratio of a narrow Z' boson decaying to top pairs range from 4.2 pb to 0.03 pb for resonance masses from 0.4 TeV to 3.0 TeV. A narrow leptophobic topcolour Z' boson with mass below 1.8 TeV is excluded. Upper limits are set on the cross-section times branching ratio for a broad colour-octet resonance with Γ/m = 15% decaying to \\( t\\overline{t} \\). These range from 4.8 pb to 0.03 pb for masses from 0.4 TeV to 3.0 TeV. A Kaluza-Klein excitation of the gluon in a Randall-Sundrum model is excluded for masses below 2.2 TeV.« less

  18. A search for $$ t\\overline{t} $$ resonances using lepton-plus-jets events in proton-proton collisions at $$ \\sqrt{s}=8 $$ TeV with the ATLAS detector

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

    Aad, G.; Abbott, B.; Abdallah, J.

    A search for new particles that decay into top quark pairs is reported. The search is performed with the ATLAS experiment at the LHC using an integrated luminosity of 20.3 fb -1 of proton-proton collision data collected at a centre-of-mass energy of s√=8s=8 TeV. The lepton-plus-jets final state is used, where the top pair decays to W +bW -b¯¯W+bW-b¯, with one W boson decaying leptonically and the other hadronically. The invariant mass spectrum of top quark pairs is examined for local excesses or deficits that are inconsistent with the Standard Model predictions. No evidence for a top quark pair resonancemore » is found, and 95% confidence-level limits on the production rate are determined for massive states in benchmark models. The upper limits on the cross-section times branching ratio of a narrow Z' boson decaying to top pairs range from 4.2 pb to 0.03 pb for resonance masses from 0.4 TeV to 3.0 TeV. A narrow leptophobic topcolour Z' boson with mass below 1.8 TeV is excluded. Upper limits are set on the cross-section times branching ratio for a broad colour-octet resonance with Γ/m = 15% decaying to tt¯tt¯. These range from 4.8 pb to 0.03 pb for masses from 0.4 TeV to 3.0 TeV. A Kaluza-Klein excitation of the gluon in a Randall-Sundrum model is excluded for masses below 2.2 TeV.« less

  19. A search for \\( t\\overline{t} \\) resonances using lepton-plus-jets events in proton-proton collisions at \\( \\sqrt{s}=8 \\) TeV with the ATLAS detector

    DOE PAGES

    Aad, G.

    2015-08-28

    A search for new particles that decay into top quark pairs is reported. The search is performed with the ATLAS experiment at the LHC using an integrated luminosity of 20.3 fb -1 of proton-proton collision data collected at a centre-of-mass energy of \\( \\sqrt{s}=8 \\) TeV. The lepton-plus-jets final state is used, where the top pair decays to \\( {W}^{+}b{W}^{-}\\overline{b} \\), with one W boson decaying leptonically and the other hadronically. The invariant mass spectrum of top quark pairs is examined for local excesses or deficits that are inconsistent with the Standard Model predictions. No evidence for a top quarkmore » pair resonance is found, and 95% confidence-level limits on the production rate are determined for massive states in benchmark models. The upper limits on the cross-section times branching ratio of a narrow Z' boson decaying to top pairs range from 4.2 pb to 0.03 pb for resonance masses from 0.4 TeV to 3.0 TeV. A narrow leptophobic topcolour Z' boson with mass below 1.8 TeV is excluded. Upper limits are set on the cross-section times branching ratio for a broad colour-octet resonance with Γ/m = 15% decaying to \\( t\\overline{t} \\). These range from 4.8 pb to 0.03 pb for masses from 0.4 TeV to 3.0 TeV. A Kaluza-Klein excitation of the gluon in a Randall-Sundrum model is excluded for masses below 2.2 TeV.« less

  20. Data processing has major impact on the outcome of quantitative label-free LC-MS analysis.

    PubMed

    Chawade, Aakash; Sandin, Marianne; Teleman, Johan; Malmström, Johan; Levander, Fredrik

    2015-02-06

    High-throughput multiplexed protein quantification using mass spectrometry is steadily increasing in popularity, with the two major techniques being data-dependent acquisition (DDA) and targeted acquisition using selected reaction monitoring (SRM). However, both techniques involve extensive data processing, which can be performed by a multitude of different software solutions. Analysis of quantitative LC-MS/MS data is mainly performed in three major steps: processing of raw data, normalization, and statistical analysis. To evaluate the impact of data processing steps, we developed two new benchmark data sets, one each for DDA and SRM, with samples consisting of a long-range dilution series of synthetic peptides spiked in a total cell protein digest. The generated data were processed by eight different software workflows and three postprocessing steps. The results show that the choice of the raw data processing software and the postprocessing steps play an important role in the final outcome. Also, the linear dynamic range of the DDA data could be extended by an order of magnitude through feature alignment and a charge state merging algorithm proposed here. Furthermore, the benchmark data sets are made publicly available for further benchmarking and software developments.

  1. Benchmarking gyrokinetic simulations in a toroidal flux-tube

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

    Chen, Y.; Parker, S. E.; Wan, W.

    2013-09-15

    A flux-tube model is implemented in the global turbulence code GEM [Y. Chen and S. E. Parker, J. Comput. Phys. 220, 839 (2007)] in order to facilitate benchmarking with Eulerian codes. The global GEM assumes the magnetic equilibrium to be completely given. The initial flux-tube implementation simply selects a radial location as the center of the flux-tube and a radial size of the flux-tube, sets all equilibrium quantities (B, ∇B, etc.) to be equal to the values at the center of the flux-tube, and retains only a linear radial profile of the safety factor needed for boundary conditions. This implementationmore » shows disagreement with Eulerian codes in linear simulations. An alternative flux-tube model based on a complete local equilibrium solution of the Grad-Shafranov equation [J. Candy, Plasma Phys. Controlled Fusion 51, 105009 (2009)] is then implemented. This results in better agreement between Eulerian codes and the particle-in-cell (PIC) method. The PIC algorithm based on the v{sub ||}-formalism [J. Reynders, Ph.D. dissertation, Princeton University, 1992] and the gyrokinetic ion/fluid electron hybrid model with kinetic electron closure [Y. Chan and S. E. Parker, Phys. Plasmas 18, 055703 (2011)] are also implemented in the flux-tube geometry and compared with the direct method for both the ion temperature gradient driven modes and the kinetic ballooning modes.« less

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

    Margaret A. Marshall

    In the early 1970’s Dr. John T. Mihalczo (team leader), J.J. Lynn, and J.R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) in an attempt to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950’s (HEU-MET-FAST-001). The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared withmore » the GODIVA I experiments. “The very accurate description of this sphere, as assembled, establishes it as an ideal benchmark for calculational methods and cross-section data files.” (Reference 1) While performing the ORSphere experiments care was taken to accurately document component dimensions (±0. 0001 in. for non-spherical parts), masses (±0.01 g), and material data The experiment was also set up to minimize the amount of structural material in the sphere proximity. A three part sphere was initially assembled with an average radius of 3.4665 in. and was then machined down to an average radius of 3.4420 in. (3.4425 in. nominal). These two spherical configurations were evaluated and judged to be acceptable benchmark experiments; however, the two experiments are highly correlated.« less

  3. Automated ancillary cancer history classification for mesothelioma patients from free-text clinical reports

    PubMed Central

    Wilson, Richard A.; Chapman, Wendy W.; DeFries, Shawn J.; Becich, Michael J.; Chapman, Brian E.

    2010-01-01

    Background: Clinical records are often unstructured, free-text documents that create information extraction challenges and costs. Healthcare delivery and research organizations, such as the National Mesothelioma Virtual Bank, require the aggregation of both structured and unstructured data types. Natural language processing offers techniques for automatically extracting information from unstructured, free-text documents. Methods: Five hundred and eight history and physical reports from mesothelioma patients were split into development (208) and test sets (300). A reference standard was developed and each report was annotated by experts with regard to the patient’s personal history of ancillary cancer and family history of any cancer. The Hx application was developed to process reports, extract relevant features, perform reference resolution and classify them with regard to cancer history. Two methods, Dynamic-Window and ConText, for extracting information were evaluated. Hx’s classification responses using each of the two methods were measured against the reference standard. The average Cohen’s weighted kappa served as the human benchmark in evaluating the system. Results: Hx had a high overall accuracy, with each method, scoring 96.2%. F-measures using the Dynamic-Window and ConText methods were 91.8% and 91.6%, which were comparable to the human benchmark of 92.8%. For the personal history classification, Dynamic-Window scored highest with 89.2% and for the family history classification, ConText scored highest with 97.6%, in which both methods were comparable to the human benchmark of 88.3% and 97.2%, respectively. Conclusion: We evaluated an automated application’s performance in classifying a mesothelioma patient’s personal and family history of cancer from clinical reports. To do so, the Hx application must process reports, identify cancer concepts, distinguish the known mesothelioma from ancillary cancers, recognize negation, perform reference resolution and determine the experiencer. Results indicated that both information extraction methods tested were dependant on the domain-specific lexicon and negation extraction. We showed that the more general method, ConText, performed as well as our task-specific method. Although Dynamic- Window could be modified to retrieve other concepts, ConText is more robust and performs better on inconclusive concepts. Hx could greatly improve and expedite the process of extracting data from free-text, clinical records for a variety of research or healthcare delivery organizations. PMID:21031012

  4. Identifying a set of influential spreaders in complex networks

    NASA Astrophysics Data System (ADS)

    Zhang, Jian-Xiong; Chen, Duan-Bing; Dong, Qiang; Zhao, Zhi-Dan

    2016-06-01

    Identifying a set of influential spreaders in complex networks plays a crucial role in effective information spreading. A simple strategy is to choose top-r ranked nodes as spreaders according to influence ranking method such as PageRank, ClusterRank and k-shell decomposition. Besides, some heuristic methods such as hill-climbing, SPIN, degree discount and independent set based are also proposed. However, these approaches suffer from a possibility that some spreaders are so close together that they overlap sphere of influence or time consuming. In this report, we present a simply yet effectively iterative method named VoteRank to identify a set of decentralized spreaders with the best spreading ability. In this approach, all nodes vote in a spreader in each turn, and the voting ability of neighbors of elected spreader will be decreased in subsequent turn. Experimental results on four real networks show that under Susceptible-Infected-Recovered (SIR) and Susceptible-Infected (SI) models, VoteRank outperforms the traditional benchmark methods on both spreading rate and final affected scale. What’s more, VoteRank has superior computational efficiency.

  5. Intrusion detection using rough set classification.

    PubMed

    Zhang, Lian-hua; Zhang, Guan-hua; Zhang, Jie; Bai, Ying-cai

    2004-09-01

    Recently machine learning-based intrusion detection approaches have been subjected to extensive researches because they can detect both misuse and anomaly. In this paper, rough set classification (RSC), a modern learning algorithm, is used to rank the features extracted for detecting intrusions and generate intrusion detection models. Feature ranking is a very critical step when building the model. RSC performs feature ranking before generating rules, and converts the feature ranking to minimal hitting set problem addressed by using genetic algorithm (GA). This is done in classical approaches using Support Vector Machine (SVM) by executing many iterations, each of which removes one useless feature. Compared with those methods, our method can avoid many iterations. In addition, a hybrid genetic algorithm is proposed to increase the convergence speed and decrease the training time of RSC. The models generated by RSC take the form of "IF-THEN" rules, which have the advantage of explication. Tests and comparison of RSC with SVM on DARPA benchmark data showed that for Probe and DoS attacks both RSC and SVM yielded highly accurate results (greater than 99% accuracy on testing set).

  6. Human Thermal Model Evaluation Using the JSC Human Thermal Database

    NASA Technical Reports Server (NTRS)

    Bue, Grant; Makinen, Janice; Cognata, Thomas

    2012-01-01

    Human thermal modeling has considerable long term utility to human space flight. Such models provide a tool to predict crew survivability in support of vehicle design and to evaluate crew response in untested space environments. It is to the benefit of any such model not only to collect relevant experimental data to correlate it against, but also to maintain an experimental standard or benchmark for future development in a readily and rapidly searchable and software accessible format. The Human thermal database project is intended to do just so; to collect relevant data from literature and experimentation and to store the data in a database structure for immediate and future use as a benchmark to judge human thermal models against, in identifying model strengths and weakness, to support model development and improve correlation, and to statistically quantify a model s predictive quality. The human thermal database developed at the Johnson Space Center (JSC) is intended to evaluate a set of widely used human thermal models. This set includes the Wissler human thermal model, a model that has been widely used to predict the human thermoregulatory response to a variety of cold and hot environments. These models are statistically compared to the current database, which contains experiments of human subjects primarily in air from a literature survey ranging between 1953 and 2004 and from a suited experiment recently performed by the authors, for a quantitative study of relative strength and predictive quality of the models.

  7. Implementing Data Definition Consistency for Emergency Department Operations Benchmarking and Research.

    PubMed

    Yiadom, Maame Yaa A B; Scheulen, James; McWade, Conor M; Augustine, James J

    2016-07-01

    The objective was to obtain a commitment to adopt a common set of definitions for emergency department (ED) demographic, clinical process, and performance metrics among the ED Benchmarking Alliance (EDBA), ED Operations Study Group (EDOSG), and Academy of Academic Administrators of Emergency Medicine (AAAEM) by 2017. A retrospective cross-sectional analysis of available data from three ED operations benchmarking organizations supported a negotiation to use a set of common metrics with identical definitions. During a 1.5-day meeting-structured according to social change theories of information exchange, self-interest, and interdependence-common definitions were identified and negotiated using the EDBA's published definitions as a start for discussion. Methods of process analysis theory were used in the 8 weeks following the meeting to achieve official consensus on definitions. These two lists were submitted to the organizations' leadership for implementation approval. A total of 374 unique measures were identified, of which 57 (15%) were shared by at least two organizations. Fourteen (4%) were common to all three organizations. In addition to agreement on definitions for the 14 measures used by all three organizations, agreement was reached on universal definitions for 17 of the 57 measures shared by at least two organizations. The negotiation outcome was a list of 31 measures with universal definitions to be adopted by each organization by 2017. The use of negotiation, social change, and process analysis theories achieved the adoption of universal definitions among the EDBA, EDOSG, and AAAEM. This will impact performance benchmarking for nearly half of US EDs. It initiates a formal commitment to utilize standardized metrics, and it transitions consistency in reporting ED operations metrics from consensus to implementation. This work advances our ability to more accurately characterize variation in ED care delivery models, resource utilization, and performance. In addition, it permits future aggregation of these three data sets, thus facilitating the creation of more robust ED operations research data sets unified by a universal language. Negotiation, social change, and process analysis principles can be used to advance the adoption of additional definitions. © 2016 by the Society for Academic Emergency Medicine.

  8. Benchmarking a geostatistical procedure for the homogenisation of annual precipitation series

    NASA Astrophysics Data System (ADS)

    Caineta, Júlio; Ribeiro, Sara; Henriques, Roberto; Soares, Amílcar; Costa, Ana Cristina

    2014-05-01

    The European project COST Action ES0601, Advances in homogenisation methods of climate series: an integrated approach (HOME), has brought to attention the importance of establishing reliable homogenisation methods for climate data. In order to achieve that, a benchmark data set, containing monthly and daily temperature and precipitation data, was created to be used as a comparison basis for the effectiveness of those methods. Several contributions were submitted and evaluated by a number of performance metrics, validating the results against realistic inhomogeneous data. HOME also led to the development of new homogenisation software packages, which included feedback and lessons learned during the project. Preliminary studies have suggested a geostatistical stochastic approach, which uses Direct Sequential Simulation (DSS), as a promising methodology for the homogenisation of precipitation data series. Based on the spatial and temporal correlation between the neighbouring stations, DSS calculates local probability density functions at a candidate station to detect inhomogeneities. The purpose of the current study is to test and compare this geostatistical approach with the methods previously presented in the HOME project, using surrogate precipitation series from the HOME benchmark data set. The benchmark data set contains monthly precipitation surrogate series, from which annual precipitation data series were derived. These annual precipitation series were subject to exploratory analysis and to a thorough variography study. The geostatistical approach was then applied to the data set, based on different scenarios for the spatial continuity. Implementing this procedure also promoted the development of a computer program that aims to assist on the homogenisation of climate data, while minimising user interaction. Finally, in order to compare the effectiveness of this methodology with the homogenisation methods submitted during the HOME project, the obtained results were evaluated using the same performance metrics. This comparison opens new perspectives for the development of an innovative procedure based on the geostatistical stochastic approach. Acknowledgements: The authors gratefully acknowledge the financial support of "Fundação para a Ciência e Tecnologia" (FCT), Portugal, through the research project PTDC/GEO-MET/4026/2012 ("GSIMCLI - Geostatistical simulation with local distributions for the homogenization and interpolation of climate data").

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

    PubMed Central

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

    2014-01-01

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

  10. High-energy neutron depth-dose distribution experiment.

    PubMed

    Ferenci, M S; Hertel, N E

    2003-01-01

    A unique set of high-energy neutron depth-dose benchmark experiments were performed at the Los Alamos Neutron Science Center/Weapons Neutron Research (LANSCE/WNR) complex. The experiments consisted of filtered neutron beams with energies up to 800 MeV impinging on a 30 x 30 x 30 cm3 liquid, tissue-equivalent phantom. The absorbed dose was measured in the phantom at various depths with tissue-equivalent ion chambers. This experiment is intended to serve as a benchmark experiment for the testing of high-energy radiation transport codes for the international radiation protection community.

  11. Note: The performance of new density functionals for a recent blind test of non-covalent interactions

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

    Mardirossian, Narbe; Head-Gordon, Martin

    Benchmark datasets of non-covalent interactions are essential for assessing the performance of density functionals and other quantum chemistry approaches. In a recent blind test, Taylor et al. benchmarked 14 methods on a new dataset consisting of 10 dimer potential energy curves calculated using coupled cluster with singles, doubles, and perturbative triples (CCSD(T)) at the complete basis set (CBS) limit (80 data points in total). Finally, the dataset is particularly interesting because compressed, near-equilibrium, and stretched regions of the potential energy surface are extensively sampled.

  12. Note: The performance of new density functionals for a recent blind test of non-covalent interactions

    DOE PAGES

    Mardirossian, Narbe; Head-Gordon, Martin

    2016-11-09

    Benchmark datasets of non-covalent interactions are essential for assessing the performance of density functionals and other quantum chemistry approaches. In a recent blind test, Taylor et al. benchmarked 14 methods on a new dataset consisting of 10 dimer potential energy curves calculated using coupled cluster with singles, doubles, and perturbative triples (CCSD(T)) at the complete basis set (CBS) limit (80 data points in total). Finally, the dataset is particularly interesting because compressed, near-equilibrium, and stretched regions of the potential energy surface are extensively sampled.

  13. International Adult Literacy Survey. Benchmarking Adult Literacy in America: An International Comparative Study.

    ERIC Educational Resources Information Center

    Tuijnman, Albert

    This 22-country survey was conducted between 1994 and 1998. Representative samples of adults aged 16-65 were interviewed and tested at home using the same literacy tests. The main purpose of the survey was to find out how well adults use information to function in society. Another aim was to investigate the factors that influence literacy…

  14. Benchmarking the Importance and Use of Labor Market Surveys by Certified Rehabilitation Counselors

    ERIC Educational Resources Information Center

    Barros-Bailey, Mary; Saunders, Jodi L.

    2013-01-01

    The purpose of this research was to benchmark the importance and use of labor market survey (LMS) among U.S. certified rehabilitation counselors (CRCs). A secondary post hoc analysis of data collected via the "Rehabilitation Skills Inventory--Revised" for the 2011 Commission on Rehabilitation Counselor Certification job analysis resulted in…

  15. A Field-Based Aquatic Life Benchmark for Conductivity in Central Appalachian Streams (2010) (External Review Draft)

    EPA Science Inventory

    This report adapts the standard U.S. EPA methodology for deriving ambient water quality criteria. Rather than use toxicity test results, the adaptation uses field data to determine the loss of 5% of genera from streams. The method is applied to derive effect benchmarks for disso...

  16. A review of the current state-of-the-art methodology for handling bias and uncertainty in performing criticality safety evaluations. Final report

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

    Disney, R.K.

    1994-10-01

    The methodology for handling bias and uncertainty when calculational methods are used in criticality safety evaluations (CSE`s) is a rapidly evolving technology. The changes in the methodology are driven by a number of factors. One factor responsible for changes in the methodology for handling bias and uncertainty in CSE`s within the overview of the US Department of Energy (DOE) is a shift in the overview function from a ``site`` perception to a more uniform or ``national`` perception. Other causes for change or improvement in the methodology for handling calculational bias and uncertainty are; (1) an increased demand for benchmark criticalsmore » data to expand the area (range) of applicability of existing data, (2) a demand for new data to supplement existing benchmark criticals data, (3) the increased reliance on (or need for) computational benchmarks which supplement (or replace) experimental measurements in critical assemblies, and (4) an increased demand for benchmark data applicable to the expanded range of conditions and configurations encountered in DOE site restoration and remediation.« less

  17. Public Interest Energy Research (PIER) Program Development of a Computer-based Benchmarking and Analytical Tool. Benchmarking and Energy & Water Savings Tool in Dairy Plants (BEST-Dairy)

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

    Xu, Tengfang; Flapper, Joris; Ke, Jing

    The overall goal of the project is to develop a computer-based benchmarking and energy and water savings tool (BEST-Dairy) for use in the California dairy industry - including four dairy processes - cheese, fluid milk, butter, and milk powder. BEST-Dairy tool developed in this project provides three options for the user to benchmark each of the dairy product included in the tool, with each option differentiated based on specific detail level of process or plant, i.e., 1) plant level; 2) process-group level, and 3) process-step level. For each detail level, the tool accounts for differences in production and other variablesmore » affecting energy use in dairy processes. The dairy products include cheese, fluid milk, butter, milk powder, etc. The BEST-Dairy tool can be applied to a wide range of dairy facilities to provide energy and water savings estimates, which are based upon the comparisons with the best available reference cases that were established through reviewing information from international and national samples. We have performed and completed alpha- and beta-testing (field testing) of the BEST-Dairy tool, through which feedback from voluntary users in the U.S. dairy industry was gathered to validate and improve the tool's functionality. BEST-Dairy v1.2 was formally published in May 2011, and has been made available for free downloads from the internet (i.e., http://best-dairy.lbl.gov). A user's manual has been developed and published as the companion documentation for use with the BEST-Dairy tool. In addition, we also carried out technology transfer activities by engaging the dairy industry in the process of tool development and testing, including field testing, technical presentations, and technical assistance throughout the project. To date, users from more than ten countries in addition to those in the U.S. have downloaded the BEST-Dairy from the LBNL website. It is expected that the use of BEST-Dairy tool will advance understanding of energy and water usage in individual dairy plants, augment benchmarking activities in the market places, and facilitate implementation of efficiency measures and strategies to save energy and water usage in the dairy industry. Industrial adoption of this emerging tool and technology in the market is expected to benefit dairy plants, which are important customers of California utilities. Further demonstration of this benchmarking tool is recommended, for facilitating its commercialization and expansion in functions of the tool. Wider use of this BEST-Dairy tool and its continuous expansion (in functionality) will help to reduce the actual consumption of energy and water in the dairy industry sector. The outcomes comply very well with the goals set by the AB 1250 for PIER program.« less

  18. Measures of aging with disability in U.S. secondary data sets: Results of a scoping review.

    PubMed

    Putnam, Michelle; Molton, Ivan R; Truitt, Anjali R; Smith, Amanda E; Jensen, Mark P

    2016-01-01

    There remain significant knowledge gaps in our understanding of aging with long-term disability. It is possible that important advances in knowledge could be gained using existing secondary data sets. However, little is known regarding which of the data sets available to researchers contain the age-related measures needed for this purpose, specifically age of onset and/or duration of disability measures. To better understand the capacity to investigate aging with long-term disability (e.g. mobility limitation) and aging with long-term chronic conditions (e.g. spinal cord injury, multiple sclerosis) using extant data. Public use national and regional data sets were identified through existing reports, web-based searches, and expert nomination. The age- and disability-related variables, including age of onset and duration of disability, were tabulated for data sets meeting inclusion criteria. Analysis was descriptive. A total of N = 44 data sets were reviewed. Of these, 22 contained both age and disability variables. Within these 22 data sets, 9 contained an age of onset or duration of disability variable. Six of the nine data sets contained age of diagnosis for a single or set of health conditions. Onset of functional limitation is in two, and onset of self-reported and/or employment disability is in four, of the nine data sets respectively. There is some, but limited opportunity to investigate aging with long-term disability in extant U.S. public use secondary data sets. Copyright © 2016 Elsevier Inc. All rights reserved.

  19. Phase field benchmark problems for dendritic growth and linear elasticity

    DOE PAGES

    Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.; ...

    2018-03-26

    We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

  20. Scale/TSUNAMI Sensitivity Data for ICSBEP Evaluations

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

    Rearden, Bradley T; Reed, Davis Allan; Lefebvre, Robert A

    2011-01-01

    The Tools for Sensitivity and Uncertainty Analysis Methodology Implementation (TSUNAMI) software developed at Oak Ridge National Laboratory (ORNL) as part of the Scale code system provide unique methods for code validation, gap analysis, and experiment design. For TSUNAMI analysis, sensitivity data are generated for each application and each existing or proposed experiment used in the assessment. The validation of diverse sets of applications requires potentially thousands of data files to be maintained and organized by the user, and a growing number of these files are available through the International Handbook of Evaluated Criticality Safety Benchmark Experiments (IHECSBE) distributed through themore » International Criticality Safety Benchmark Evaluation Program (ICSBEP). To facilitate the use of the IHECSBE benchmarks in rigorous TSUNAMI validation and gap analysis techniques, ORNL generated SCALE/TSUNAMI sensitivity data files (SDFs) for several hundred benchmarks for distribution with the IHECSBE. For the 2010 edition of IHECSBE, the sensitivity data were generated using 238-group cross-section data based on ENDF/B-VII.0 for 494 benchmark experiments. Additionally, ORNL has developed a quality assurance procedure to guide the generation of Scale inputs and sensitivity data, as well as a graphical user interface to facilitate the use of sensitivity data in identifying experiments and applying them in validation studies.« less

  1. Phase field benchmark problems for dendritic growth and linear elasticity

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

    Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.

    We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

  2. Comparing Hospital Processes and Outcomes in California Medicare Beneficiaries: Simulation Prompts Reconsideration.

    PubMed

    Escobar, Gabriel J; Baker, Jennifer M; Turk, Benjamin J; Draper, David; Liu, Vincent; Kipnis, Patricia

    2017-01-01

    This article is not a traditional research report. It describes how conducting a specific set of benchmarking analyses led us to broader reflections on hospital benchmarking. We reexamined an issue that has received far less attention from researchers than in the past: How variations in the hospital admission threshold might affect hospital rankings. Considering this threshold made us reconsider what benchmarking is and what future benchmarking studies might be like. Although we recognize that some of our assertions are speculative, they are based on our reading of the literature and previous and ongoing data analyses being conducted in our research unit. We describe the benchmarking analyses that led to these reflections. The Centers for Medicare and Medicaid Services' Hospital Compare Web site includes data on fee-for-service Medicare beneficiaries but does not control for severity of illness, which requires physiologic data now available in most electronic medical records.To address this limitation, we compared hospital processes and outcomes among Kaiser Permanente Northern California's (KPNC) Medicare Advantage beneficiaries and non-KPNC California Medicare beneficiaries between 2009 and 2010. We assigned a simulated severity of illness measure to each record and explored the effect of having the additional information on outcomes. We found that if the admission severity of illness in non-KPNC hospitals increased, KPNC hospitals' mortality performance would appear worse; conversely, if admission severity at non-KPNC hospitals' decreased, KPNC hospitals' performance would appear better. Future hospital benchmarking should consider the impact of variation in admission thresholds.

  3. Calibrating coseismic coastal land-level changes during the 2014 Iquique (Mw=8.2) earthquake (northern Chile) with leveling, GPS and intertidal biota.

    PubMed

    Jaramillo, Eduardo; Melnick, Daniel; Baez, Juan Carlos; Montecino, Henry; Lagos, Nelson A; Acuña, Emilio; Manzano, Mario; Camus, Patricio A

    2017-01-01

    The April 1st 2014 Iquique earthquake (MW 8.1) occurred along the northern Chile margin where the Nazca plate is subducted below the South American continent. The last great megathrust earthquake here, in 1877 of Mw ~8.8 opened a seismic gap, which was only partly closed by the 2014 earthquake. Prior to the earthquake in 2013, and shortly after it we compared data from leveled benchmarks, deployed campaign GPS instruments, continuous GPS stations and estimated sea levels using the upper vertical level of rocky shore benthic organisms including algae, barnacles, and mussels. Land-level changes estimated from mean elevations of benchmarks indicate subsidence along a ~100-km stretch of coast, ranging from 3 to 9 cm at Corazones (18°30'S) to between 30 and 50 cm at Pisagua (19°30'S). About 15 cm of uplift was measured along the southern part of the rupture at Chanabaya (20°50'S). Land-level changes obtained from benchmarks and campaign GPS were similar at most sites (mean difference 3.7±3.2 cm). Higher differences however, were found between benchmarks and continuous GPS (mean difference 8.5±3.6 cm), possibly because sites were not collocated and separated by several kilometers. Subsidence estimated from the upper limits of intertidal fauna at Pisagua ranged between 40 to 60 cm, in general agreement with benchmarks and GPS. At Chanavaya, the magnitude and sense of displacement of the upper marine limit was variable across species, possibly due to species-dependent differences in ecology. Among the studied species, measurements on lithothamnioid calcareous algae most closely matched those made with benchmarks and GPS. When properly calibrated, rocky shore benthic species may be used to accurately measure land-level changes along coasts affected by subduction earthquakes. Our calibration of those methods will improve their accuracy when applied to coasts lacking pre-earthquake data and in estimating deformation during pre-instrumental earthquakes.

  4. Sleep spindle and K-complex detection using tunable Q-factor wavelet transform and morphological component analysis

    PubMed Central

    Lajnef, Tarek; Chaibi, Sahbi; Eichenlaub, Jean-Baptiste; Ruby, Perrine M.; Aguera, Pierre-Emmanuel; Samet, Mounir; Kachouri, Abdennaceur; Jerbi, Karim

    2015-01-01

    A novel framework for joint detection of sleep spindles and K-complex events, two hallmarks of sleep stage S2, is proposed. Sleep electroencephalography (EEG) signals are split into oscillatory (spindles) and transient (K-complex) components. This decomposition is conveniently achieved by applying morphological component analysis (MCA) to a sparse representation of EEG segments obtained by the recently introduced discrete tunable Q-factor wavelet transform (TQWT). Tuning the Q-factor provides a convenient and elegant tool to naturally decompose the signal into an oscillatory and a transient component. The actual detection step relies on thresholding (i) the transient component to reveal K-complexes and (ii) the time-frequency representation of the oscillatory component to identify sleep spindles. Optimal thresholds are derived from ROC-like curves (sensitivity vs. FDR) on training sets and the performance of the method is assessed on test data sets. We assessed the performance of our method using full-night sleep EEG data we collected from 14 participants. In comparison to visual scoring (Expert 1), the proposed method detected spindles with a sensitivity of 83.18% and false discovery rate (FDR) of 39%, while K-complexes were detected with a sensitivity of 81.57% and an FDR of 29.54%. Similar performances were obtained when using a second expert as benchmark. In addition, when the TQWT and MCA steps were excluded from the pipeline the detection sensitivities dropped down to 70% for spindles and to 76.97% for K-complexes, while the FDR rose up to 43.62 and 49.09%, respectively. Finally, we also evaluated the performance of the proposed method on a set of publicly available sleep EEG recordings. Overall, the results we obtained suggest that the TQWT-MCA method may be a valuable alternative to existing spindle and K-complex detection methods. Paths for improvements and further validations with large-scale standard open-access benchmarking data sets are discussed. PMID:26283943

  5. A suite of exercises for verifying dynamic earthquake rupture codes

    USGS Publications Warehouse

    Harris, Ruth A.; Barall, Michael; Aagaard, Brad T.; Ma, Shuo; Roten, Daniel; Olsen, Kim B.; Duan, Benchun; Liu, Dunyu; Luo, Bin; Bai, Kangchen; Ampuero, Jean-Paul; Kaneko, Yoshihiro; Gabriel, Alice-Agnes; Duru, Kenneth; Ulrich, Thomas; Wollherr, Stephanie; Shi, Zheqiang; Dunham, Eric; Bydlon, Sam; Zhang, Zhenguo; Chen, Xiaofei; Somala, Surendra N.; Pelties, Christian; Tago, Josue; Cruz-Atienza, Victor Manuel; Kozdon, Jeremy; Daub, Eric; Aslam, Khurram; Kase, Yuko; Withers, Kyle; Dalguer, Luis

    2018-01-01

    We describe a set of benchmark exercises that are designed to test if computer codes that simulate dynamic earthquake rupture are working as intended. These types of computer codes are often used to understand how earthquakes operate, and they produce simulation results that include earthquake size, amounts of fault slip, and the patterns of ground shaking and crustal deformation. The benchmark exercises examine a range of features that scientists incorporate in their dynamic earthquake rupture simulations. These include implementations of simple or complex fault geometry, off‐fault rock response to an earthquake, stress conditions, and a variety of formulations for fault friction. Many of the benchmarks were designed to investigate scientific problems at the forefronts of earthquake physics and strong ground motions research. The exercises are freely available on our website for use by the scientific community.

  6. Geothermal Potential of the Cascade and Aleutian Arcs, with Ranking of Individual Volcanic Centers for their Potential to Host Electricity-Grade Reservoirs

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

    Shevenell, Lisa; Coolbaugh, Mark; Hinz, Nick

    This project brings a global perspective to volcanic arc geothermal play fairway analysis by developing statistics for the occurrence of geothermal reservoirs and their geoscience context worldwide in order to rank U.S. prospects. The focus of the work was to develop play fairways for the Cascade and Aleutian arcs to rank the individual volcanic centers in these arcs by their potential to host electricity grade geothermal systems. The Fairway models were developed by describing key geologic factors expected to be indicative of productive geothermal systems in a global training set, which includes 74 volcanic centers world-wide with current power production.more » To our knowledge, this is the most robust geothermal benchmark training set for magmatic systems to date that will be made public.« less

  7. Benchmark cool companions: ages and abundances for the PZ Telescopii system

    NASA Astrophysics Data System (ADS)

    Jenkins, J. S.; Pavlenko, Y. V.; Ivanyuk, O.; Gallardo, J.; Jones, M. I.; Day-Jones, A. C.; Jones, H. R. A.; Ruiz, M. T.; Pinfield, D. J.; Yakovina, L.

    2012-03-01

    We present new ages and abundance measurements for the pre-main-sequence star PZ Telescopii (more commonly known as PZ Tel). PZ Tel was recently found to host a young and low-mass companion. Such companions, whether they are brown dwarfs or planetary systems, can attain benchmark status by detailed study of the properties of the primary, and then evolutionary and bulk characteristics can be inferred for the companion. Using Fibre-fed Extended Range Optical Spectrograph spectra, we have measured atomic abundances (e.g. Fe and Li) and chromospheric activity for PZ Tel and used these to obtain the metallicity and age estimates for the companion. We have also determined the age independently using the latest evolutionary models. We find PZ Tel A to be a rapidly rotating (v sin i= 73 ± 5 km s-1), approximately solar metallicity star [log N(Fe) =-4.37 ± 0.06 dex or [Fe/H] = 0.05 ± 0.20 dex]. We measure a non-local thermodynamic equilibrium lithium abundance of log N(Li) = 3.1 ± 0.1 dex, which from depletion models gives rise to an age of 7? Myr for the system. Our measured chromospheric activity (? of -4.12) returns an age of 26 ± 2 Myr, as does fitting pre-main-sequence evolutionary tracks (τevol= 22 ± 3 Myr), both of these are in disagreement with the lithium age. We speculate on reasons for this difference and introduce new models for lithium depletion that incorporate both rotation and magnetic field effects. We also synthesize solar, metal-poor and metal-rich substellar evolutionary models to better determine the bulk properties of PZ Tel B, showing that PZ Tel B is probably more massive than previous estimates, meaning the companion is not a giant exoplanet, even though a planetary-like formation origin can go some way to describing the distribution of benchmark binaries currently known. We show how PZ Tel B compares to other currently known age and metallicity benchmark systems and try to empirically test the effects of dust opacity as a function of metallicity on the near-infrared colours of brown dwarfs. Current models suggest that in the near-infrared observations are more sensitive to low-mass companions orbiting more metal rich stars. We also look for trends between infrared photometry and metallicity amongst a growing population of substellar benchmark objects, and identify the need for more data in mass-age-metallicity parameter space.

  8. Benchmark Campaign of the COST Action GNSS4SWEC: Main Goals and Achievements

    NASA Astrophysics Data System (ADS)

    Dick, G.; Dousa, J.; Kacmarik, M.; Pottiaux, E.; Zus, F.; Brenot, H. H.; Moeller, G.; Kaplon, J.; Morel, L.; Hordyniec, P.

    2016-12-01

    This talk will give an overview of achievements of the Benchmark campaign, one of the central activities in the framework of the COST Action ES 1206 GNSS4SWEC. The main goal of the campaign is supporting the development and validation of advanced Global Navigation Satellite System (GNSS) tropospheric products, in particular high-resolution and ultra-fast/real-time zenith total delays (ZTD) and asymmetry products in terms of tropospheric horizontal gradients and slant delays.For the Benchmark campaign a complex data set of GNSS observations and various meteorological data were collected for a two-month period in 2013 (May-June) which included severe weather events in central Europe. An initial processing of data sets from GNSS and numerical weather models (NWM) provided independently estimated tropospheric reference products - ZTDs, tropospheric horizontal gradients and others. The comparison of horizontal tropospheric gradients from GNSS and NWM data demonstrated a very good agreement among independent solutions with negligible biases and an accuracy of about 0.5 mm. Visual comparisons of maps of zenith wet delays and tropospheric horizontal gradients showed very promising results for future exploitations of advanced GNSS tropospheric products in meteorological applications such as severe weather event monitoring and weather nowcasting.The benchmark data set is also used for an extensive validation of line-of-sight tropospheric Slant Total Delays (STD) from GNSS, NWM-raytracing and Water Vapour Radiometer (WVR) solutions. Six institutions delivered their STDs based on GNSS observations processed using different software and strategies. STDs from NWM ray-tracing came from three institutions using three different NWM models. Results show generally a very good mutual agreement among all solutions from all techniques. Among all an influence of adding not cleaned as well as cleaned GNSS post-fit residuals, i.e. residuals with eliminated and not eliminated non-tropospheric systematic effects such as multipath, to estimated STDs will be presented.

  9. Effective secondary fracture prevention: implementation of a global benchmarking of clinical quality using the IOF Capture the Fracture® Best Practice Framework tool.

    PubMed

    Javaid, M K; Kyer, C; Mitchell, P J; Chana, J; Moss, C; Edwards, M H; McLellan, A R; Stenmark, J; Pierroz, D D; Schneider, M C; Kanis, J A; Akesson, K; Cooper, C

    2015-11-01

    Fracture Liaison Services are the best model to prevent secondary fractures. The International Osteoporosis Foundation developed a Best Practice Framework to provide a quality benchmark. After a year of implementation, we confirmed that a single framework with set criteria is able to benchmark services across healthcare systems worldwide. Despite evidence for the clinical effectiveness of secondary fracture prevention, translation in the real-world setting remains disappointing. Where implemented, a wide variety of service models are used to deliver effective secondary fracture prevention. To support use of effective models of care across the globe, the International Osteoporosis Foundation's Capture the Fracture® programme developed a Best Practice Framework (BPF) tool of criteria and standards to provide a quality benchmark. We now report findings after the first 12 months of implementation. A questionnaire for the BPF was created and made available to institutions on the Capture the Fracture website. Responses from institutions were used to assign gold, silver, bronze or black (insufficient) level of achievements mapped across five domains. Through an interactive process with the institution, a final score was determined and published on the Capture the Fracture website Fracture Liaison Service (FLS) map. Sixty hospitals across six continents submitted their questionnaires. The hospitals served populations from 20,000 to 15 million and were a mix of private and publicly funded. Each FLS managed 146 to 6200 fragility fracture patients per year with a total of 55,160 patients across all sites. Overall, 27 hospitals scored gold, 23 silver and 10 bronze. The pathway for the hip fracture patients had the highest proportion of gold grading while vertebral fracture the lowest. In the first 12 months, we have successfully tested the BPF tool in a range of health settings across the globe. Initial findings confirm a significant heterogeneity in service provision and highlight the importance of a global approach to ensure high quality secondary fracture prevention services.

  10. Fast Segmentation of Stained Nuclei in Terabyte-Scale, Time Resolved 3D Microscopy Image Stacks

    PubMed Central

    Stegmaier, Johannes; Otte, Jens C.; Kobitski, Andrei; Bartschat, Andreas; Garcia, Ariel; Nienhaus, G. Ulrich; Strähle, Uwe; Mikut, Ralf

    2014-01-01

    Automated analysis of multi-dimensional microscopy images has become an integral part of modern research in life science. Most available algorithms that provide sufficient segmentation quality, however, are infeasible for a large amount of data due to their high complexity. In this contribution we present a fast parallelized segmentation method that is especially suited for the extraction of stained nuclei from microscopy images, e.g., of developing zebrafish embryos. The idea is to transform the input image based on gradient and normal directions in the proximity of detected seed points such that it can be handled by straightforward global thresholding like Otsu’s method. We evaluate the quality of the obtained segmentation results on a set of real and simulated benchmark images in 2D and 3D and show the algorithm’s superior performance compared to other state-of-the-art algorithms. We achieve an up to ten-fold decrease in processing times, allowing us to process large data sets while still providing reasonable segmentation results. PMID:24587204

  11. Benchmarking Non-Hardware Balance-of-System (Soft) Costs for U.S. Photovoltaic Systems, Using a Bottom-Up Approach and Installer Survey - Second Edition

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

    Friedman, B.; Ardani, K.; Feldman, D.

    2013-10-01

    This report presents results from the second U.S. Department of Energy (DOE) sponsored, bottom-up data-collection and analysis of non-hardware balance-of-system costs -- often referred to as 'business process' or 'soft' costs -- for U.S. residential and commercial photovoltaic (PV) systems. In service to DOE's SunShot Initiative, annual expenditure and labor-hour-productivity data are analyzed to benchmark 2012 soft costs related to (1) customer acquisition and system design (2) permitting, inspection, and interconnection (PII). We also include an in-depth analysis of costs related to financing, overhead, and profit. Soft costs are both a major challenge and a major opportunity for reducing PVmore » system prices and stimulating SunShot-level PV deployment in the United States. The data and analysis in this series of benchmarking reports are a step toward the more detailed understanding of PV soft costs required to track and accelerate these price reductions.« less

  12. SigniSite: Identification of residue-level genotype-phenotype correlations in protein multiple sequence alignments.

    PubMed

    Jessen, Leon Eyrich; Hoof, Ilka; Lund, Ole; Nielsen, Morten

    2013-07-01

    Identifying which mutation(s) within a given genotype is responsible for an observable phenotype is important in many aspects of molecular biology. Here, we present SigniSite, an online application for subgroup-free residue-level genotype-phenotype correlation. In contrast to similar methods, SigniSite does not require any pre-definition of subgroups or binary classification. Input is a set of protein sequences where each sequence has an associated real number, quantifying a given phenotype. SigniSite will then identify which amino acid residues are significantly associated with the data set phenotype. As output, SigniSite displays a sequence logo, depicting the strength of the phenotype association of each residue and a heat-map identifying 'hot' or 'cold' regions. SigniSite was benchmarked against SPEER, a state-of-the-art method for the prediction of specificity determining positions (SDP) using a set of human immunodeficiency virus protease-inhibitor genotype-phenotype data and corresponding resistance mutation scores from the Stanford University HIV Drug Resistance Database, and a data set of protein families with experimentally annotated SDPs. For both data sets, SigniSite was found to outperform SPEER. SigniSite is available at: http://www.cbs.dtu.dk/services/SigniSite/.

  13. A Systematic Literature Review of Alcohol Education Programmes in Middle and High School Settings (2000-2014)

    ERIC Educational Resources Information Center

    Dietrich, Timo; Rundle-Thiele, Sharyn; Schuster, Lisa; Connor, Jason P.

    2016-01-01

    Purpose: Social marketing benchmark criteria were used to understand the extent to which single-substance alcohol education programmes targeting adolescents in middle and high school settings sought to change behaviour, utilised theory, included audience research and applied the market segmentation process. The paper aims to discuss these issues.…

  14. Critical Assessment of Metagenome Interpretation – a benchmark of computational metagenomics software

    PubMed Central

    Sczyrba, Alexander; Hofmann, Peter; Belmann, Peter; Koslicki, David; Janssen, Stefan; Dröge, Johannes; Gregor, Ivan; Majda, Stephan; Fiedler, Jessika; Dahms, Eik; Bremges, Andreas; Fritz, Adrian; Garrido-Oter, Ruben; Jørgensen, Tue Sparholt; Shapiro, Nicole; Blood, Philip D.; Gurevich, Alexey; Bai, Yang; Turaev, Dmitrij; DeMaere, Matthew Z.; Chikhi, Rayan; Nagarajan, Niranjan; Quince, Christopher; Meyer, Fernando; Balvočiūtė, Monika; Hansen, Lars Hestbjerg; Sørensen, Søren J.; Chia, Burton K. H.; Denis, Bertrand; Froula, Jeff L.; Wang, Zhong; Egan, Robert; Kang, Dongwan Don; Cook, Jeffrey J.; Deltel, Charles; Beckstette, Michael; Lemaitre, Claire; Peterlongo, Pierre; Rizk, Guillaume; Lavenier, Dominique; Wu, Yu-Wei; Singer, Steven W.; Jain, Chirag; Strous, Marc; Klingenberg, Heiner; Meinicke, Peter; Barton, Michael; Lingner, Thomas; Lin, Hsin-Hung; Liao, Yu-Chieh; Silva, Genivaldo Gueiros Z.; Cuevas, Daniel A.; Edwards, Robert A.; Saha, Surya; Piro, Vitor C.; Renard, Bernhard Y.; Pop, Mihai; Klenk, Hans-Peter; Göker, Markus; Kyrpides, Nikos C.; Woyke, Tanja; Vorholt, Julia A.; Schulze-Lefert, Paul; Rubin, Edward M.; Darling, Aaron E.; Rattei, Thomas; McHardy, Alice C.

    2018-01-01

    In metagenome analysis, computational methods for assembly, taxonomic profiling and binning are key components facilitating downstream biological data interpretation. However, a lack of consensus about benchmarking datasets and evaluation metrics complicates proper performance assessment. The Critical Assessment of Metagenome Interpretation (CAMI) challenge has engaged the global developer community to benchmark their programs on datasets of unprecedented complexity and realism. Benchmark metagenomes were generated from ~700 newly sequenced microorganisms and ~600 novel viruses and plasmids, including genomes with varying degrees of relatedness to each other and to publicly available ones and representing common experimental setups. Across all datasets, assembly and genome binning programs performed well for species represented by individual genomes, while performance was substantially affected by the presence of related strains. Taxonomic profiling and binning programs were proficient at high taxonomic ranks, with a notable performance decrease below the family level. Parameter settings substantially impacted performances, underscoring the importance of program reproducibility. While highlighting current challenges in computational metagenomics, the CAMI results provide a roadmap for software selection to answer specific research questions. PMID:28967888

  15. First benchmark of the Unstructured Grid Adaptation Working Group

    NASA Technical Reports Server (NTRS)

    Ibanez, Daniel; Barral, Nicolas; Krakos, Joshua; Loseille, Adrien; Michal, Todd; Park, Mike

    2017-01-01

    Unstructured grid adaptation is a technology that holds the potential to improve the automation and accuracy of computational fluid dynamics and other computational disciplines. Difficulty producing the highly anisotropic elements necessary for simulation on complex curved geometries that satisfies a resolution request has limited this technology's widespread adoption. The Unstructured Grid Adaptation Working Group is an open gathering of researchers working on adapting simplicial meshes to conform to a metric field. Current members span a wide range of institutions including academia, industry, and national laboratories. The purpose of this group is to create a common basis for understanding and improving mesh adaptation. We present our first major contribution: a common set of benchmark cases, including input meshes and analytic metric specifications, that are publicly available to be used for evaluating any mesh adaptation code. We also present the results of several existing codes on these benchmark cases, to illustrate their utility in identifying key challenges common to all codes and important differences between available codes. Future directions are defined to expand this benchmark to mature the technology necessary to impact practical simulation workflows.

  16. Avoiding unintended incentives in ACO payment models.

    PubMed

    Douven, Rudy; McGuire, Thomas G; McWilliams, J Michael

    2015-01-01

    One goal of the Medicare Shared Savings Program for accountable care organizations (ACOs) is to reduce Medicare spending for ACOs' patients relative to the organizations' spending history. However, we found that current rules for setting ACO spending targets (or benchmarks) diminish ACOs' incentives to generate savings and may even encourage higher instead of lower Medicare spending. Spending in the three years before ACOs enter or renew a contract is weighted unequally in the benchmark calculation, with a high weight of 0.6 given to the year just before a new contract starts. Thus, ACOs have incentives to increase spending in that year to inflate their benchmark for future years and thereby make it easier to obtain shared savings from Medicare in the new contract period. We suggest strategies to improve incentives for ACOs, including changes to the weights used to determine benchmarks and new payment models that base an ACO's spending target not only on its own past performance but also on the performance of other ACOs or Medicare providers. Project HOPE—The People-to-People Health Foundation, Inc.

  17. The National Practice Benchmark for oncology, 2014 report on 2013 data.

    PubMed

    Towle, Elaine L; Barr, Thomas R; Senese, James L

    2014-11-01

    The National Practice Benchmark (NPB) is a unique tool to measure oncology practices against others across the country in a way that allows meaningful comparisons despite differences in practice size or setting. In today's economic environment every oncology practice, regardless of business structure or affiliation, should be able to produce, monitor, and benchmark basic metrics to meet current business pressures for increased efficiency and efficacy of care. Although we recognize that the NPB survey results do not capture the experience of all oncology practices, practices that can and do participate demonstrate exceptional managerial capability, and this year those practices are recognized for their participation. In this report, we continue to emphasize the methodology introduced last year in which we reported medical revenue net of the cost of the drugs as net medical revenue for the hematology/oncology product line. The effect of this is to capture only the gross margin attributable to drugs as revenue. New this year, we introduce six measures of clinical data density and expand the radiation oncology benchmarks. Copyright © 2014 by American Society of Clinical Oncology.

  18. Role of dispersion corrected hybrid GGA class in accurately calculating the bond dissociation energy of carbon halogen bond: A benchmark study

    NASA Astrophysics Data System (ADS)

    Kosar, Naveen; Mahmood, Tariq; Ayub, Khurshid

    2017-12-01

    Benchmark study has been carried out to find a cost effective and accurate method for bond dissociation energy (BDE) of carbon halogen (Csbnd X) bond. BDE of C-X bond plays a vital role in chemical reactions, particularly for kinetic barrier and thermochemistry etc. The compounds (1-16, Fig. 1) with Csbnd X bond used for current benchmark study are important reactants in organic, inorganic and bioorganic chemistry. Experimental data of Csbnd X bond dissociation energy is compared with theoretical results. The statistical analysis tools such as root mean square deviation (RMSD), standard deviation (SD), Pearson's correlation (R) and mean absolute error (MAE) are used for comparison. Overall, thirty-one density functionals from eight different classes of density functional theory (DFT) along with Pople and Dunning basis sets are evaluated. Among different classes of DFT, the dispersion corrected range separated hybrid GGA class along with 6-31G(d), 6-311G(d), aug-cc-pVDZ and aug-cc-pVTZ basis sets performed best for bond dissociation energy calculation of C-X bond. ωB97XD show the best performance with less deviations (RMSD, SD), mean absolute error (MAE) and a significant Pearson's correlation (R) when compared to experimental data. ωB97XD along with Pople basis set 6-311g(d) has RMSD, SD, R and MAE of 3.14 kcal mol-1, 3.05 kcal mol-1, 0.97 and -1.07 kcal mol-1, respectively.

  19. Orsphere: Physics Measurments For Bare, HEU(93.2)-Metal Sphere

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

    Marshall, Margaret A.; Bess, John D.; Briggs, J. Blair

    In the early 1970s Dr. John T. Mihalczo (team leader), J.J. Lynn, and J.R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) in an attempt to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950s (HEU-MET-FAST-001). The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared withmore » the GODIVA I experiments. “The very accurate description of this sphere, as assembled, establishes it as an ideal benchmark for calculational methods and cross-section data files” (Reference 1). While performing the ORSphere experiments care was taken to accurately document component dimensions (±0.0001 inches), masses (±0.01 g), and material data. The experiment was also set up to minimize the amount of structural material in the sphere proximity. Two, correlated spheres were evaluated and judged to be acceptable as criticality benchmark experiments. This evaluation is given in HEU-MET-FAST-100. The second, smaller sphere was used for additional reactor physics measurements. Worth measurements (Reference 1, 2, 3 and 4), the delayed neutron fraction (Reference 3, 4 and 5) and surface material worth coefficient (Reference 1 and 2) are all measured and judged to be acceptable as benchmark data. The prompt neutron decay (Reference 6), relative fission density (Reference 7) and relative neutron importance (Reference 7) were measured, but are not evaluated. Information for the evaluation was compiled from References 1 through 7, the experimental logbooks 8 and 9 ; additional drawings and notes provided by the experimenter; and communication with the lead experimenter, John T. Mihalczo.« less

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

    Marshall, Margaret A.

    In the early 1970s Dr. John T. Mihalczo (team leader), J.J. Lynn, and J.R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) in an attempt to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950s (HEU-MET-FAST-001). The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared withmore » the GODIVA I experiments. “The very accurate description of this sphere, as assembled, establishes it as an ideal benchmark for calculational methods and cross-section data files” (Reference 1). While performing the ORSphere experiments care was taken to accurately document component dimensions (±0.0001 inches), masses (±0.01 g), and material data. The experiment was also set up to minimize the amount of structural material in the sphere proximity. Two, correlated spheres were evaluated and judged to be acceptable as criticality benchmark experiments. This evaluation is given in HEU-MET-FAST-100. The second, smaller sphere was used for additional reactor physics measurements. Worth measurements (Reference 1, 2, 3 and 4), the delayed neutron fraction (Reference 3, 4 and 5) and surface material worth coefficient (Reference 1 and 2) are all measured and judged to be acceptable as benchmark data. The prompt neutron decay (Reference 6), relative fission density (Reference 7) and relative neutron importance (Reference 7) were measured, but are not evaluated. Information for the evaluation was compiled from References 1 through 7, the experimental logbooks 8 and 9 ; additional drawings and notes provided by the experimenter; and communication with the lead experimenter, John T. Mihalczo.« less

  1. The Content and Quality of Health Information on the Internet for Patients and Families on Adult Kidney Cancer.

    PubMed

    Alsaiari, Ahmed; Joury, Abdulaziz; Aljuaid, Mossab; Wazzan, Mohammed; Pines, Jesse M

    2017-12-01

    The Internet is one of the major sources for health information for patients and their families, particularly when patients face serious life-threatening conditions such as kidney cancer in adults. In this study, we evaluate the content and quality of health information on adult kidney cancer using several validated instruments. We accessed the three most popular search engines (Google, Yahoo, Bing), using two terms: "kidney cancer" and "renal cell carcinoma," and reviewed the top 30 hits. After exclusion of duplicated websites, websites targeting health care professionals, and unrelated websites, 35 websites were included. Content was assessed using a 22-item checklist adapted from the American Cancer Society. We assessed website quality using the DISCERN questionnaire, HONcode and JAMA benchmark criteria, readability using three readability scores, and ALEXA for global traffic ranking systems. The average website had 16 of 22 content items while 6 websites fulfilled all 22 items. Among all websites, the average DISCERN quality score was 42 out of 80, 15 (42.8 %) of websites had HONcode certification, and only 3 (8.5 %) fulfilled all JAMA benchmark criteria. The average website readability was at the ninth grade reading level. The content and quality of health-related information on the Internet for adult kidney cancer are variable in comprehensiveness and quality. Many websites are difficult to read without a high school education. A standardized approach to presenting cancer information on the Internet for patients and families may be warranted.

  2. Data-Based Performance Assessments for the DOE Hydropower Advancement Project

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

    March, Patrick; Wolff, Dr. Paul; Smith, Brennan T

    2012-01-01

    The U. S. Department of Energy s Hydropower Advancement Project (HAP) was initiated to characterize and trend hydropower asset conditions across the U.S.A. s existing hydropower fleet and to identify and evaluate the upgrading opportunities. Although HAP includes both detailed performance assessments and condition assessments of existing hydropower plants, this paper focuses on the performance assessments. Plant performance assessments provide a set of statistics and indices that characterize the historical extent to which each plant has converted the potential energy at a site into electrical energy for the power system. The performance metrics enable benchmarking and trending of performance acrossmore » many projects in a variety contexts (e.g., river systems, power systems, and water availability). During FY2011 and FY2012, assessments will be performed on ten plants, with an additional fifty plants scheduled for FY2013. This paper focuses on the performance assessments completed to date, details the performance assessment process, and describes results from the performance assessments.« less

  3. Developing a molecular dynamics force field for both folded and disordered protein states.

    PubMed

    Robustelli, Paul; Piana, Stefano; Shaw, David E

    2018-05-07

    Molecular dynamics (MD) simulation is a valuable tool for characterizing the structural dynamics of folded proteins and should be similarly applicable to disordered proteins and proteins with both folded and disordered regions. It has been unclear, however, whether any physical model (force field) used in MD simulations accurately describes both folded and disordered proteins. Here, we select a benchmark set of 21 systems, including folded and disordered proteins, simulate these systems with six state-of-the-art force fields, and compare the results to over 9,000 available experimental data points. We find that none of the tested force fields simultaneously provided accurate descriptions of folded proteins, of the dimensions of disordered proteins, and of the secondary structure propensities of disordered proteins. Guided by simulation results on a subset of our benchmark, however, we modified parameters of one force field, achieving excellent agreement with experiment for disordered proteins, while maintaining state-of-the-art accuracy for folded proteins. The resulting force field, a99SB- disp , should thus greatly expand the range of biological systems amenable to MD simulation. A similar approach could be taken to improve other force fields. Copyright © 2018 the Author(s). Published by PNAS.

  4. Improving Protein Fold Recognition by Deep Learning Networks.

    PubMed

    Jo, Taeho; Hou, Jie; Eickholt, Jesse; Cheng, Jianlin

    2015-12-04

    For accurate recognition of protein folds, a deep learning network method (DN-Fold) was developed to predict if a given query-template protein pair belongs to the same structural fold. The input used stemmed from the protein sequence and structural features extracted from the protein pair. We evaluated the performance of DN-Fold along with 18 different methods on Lindahl's benchmark dataset and on a large benchmark set extracted from SCOP 1.75 consisting of about one million protein pairs, at three different levels of fold recognition (i.e., protein family, superfamily, and fold) depending on the evolutionary distance between protein sequences. The correct recognition rate of ensembled DN-Fold for Top 1 predictions is 84.5%, 61.5%, and 33.6% and for Top 5 is 91.2%, 76.5%, and 60.7% at family, superfamily, and fold levels, respectively. We also evaluated the performance of single DN-Fold (DN-FoldS), which showed the comparable results at the level of family and superfamily, compared to ensemble DN-Fold. Finally, we extended the binary classification problem of fold recognition to real-value regression task, which also show a promising performance. DN-Fold is freely available through a web server at http://iris.rnet.missouri.edu/dnfold.

  5. Performance implications from sizing a VM on multi-core systems: A Data analytic application s view

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

    Lim, Seung-Hwan; Horey, James L; Begoli, Edmon

    In this paper, we present a quantitative performance analysis of data analytics applications running on multi-core virtual machines. Such environments form the core of cloud computing. In addition, data analytics applications, such as Cassandra and Hadoop, are becoming increasingly popular on cloud computing platforms. This convergence necessitates a better understanding of the performance and cost implications of such hybrid systems. For example, the very rst step in hosting applications in virtualized environments, requires the user to con gure the number of virtual processors and the size of memory. To understand performance implications of this step, we benchmarked three Yahoo Cloudmore » Serving Benchmark (YCSB) workloads in a virtualized multi-core environment. Our measurements indicate that the performance of Cassandra for YCSB workloads does not heavily depend on the processing capacity of a system, while the size of the data set is critical to performance relative to allocated memory. We also identi ed a strong relationship between the running time of workloads and various hardware events (last level cache loads, misses, and CPU migrations). From this analysis, we provide several suggestions to improve the performance of data analytics applications running on cloud computing environments.« less

  6. Benchmarking road safety performance: Identifying a meaningful reference (best-in-class).

    PubMed

    Chen, Faan; Wu, Jiaorong; Chen, Xiaohong; Wang, Jianjun; Wang, Di

    2016-01-01

    For road safety improvement, comparing and benchmarking performance are widely advocated as the emerging and preferred approaches. However, there is currently no universally agreed upon approach for the process of road safety benchmarking, and performing the practice successfully is by no means easy. This is especially true for the two core activities of which: (1) developing a set of road safety performance indicators (SPIs) and combining them into a composite index; and (2) identifying a meaningful reference (best-in-class), one which has already obtained outstanding road safety practices. To this end, a scientific technique that can combine the multi-dimensional safety performance indicators (SPIs) into an overall index, and subsequently can identify the 'best-in-class' is urgently required. In this paper, the Entropy-embedded RSR (Rank-sum ratio), an innovative, scientific and systematic methodology is investigated with the aim of conducting the above two core tasks in an integrative and concise procedure, more specifically in a 'one-stop' way. Using a combination of results from other methods (e.g. the SUNflower approach) and other measures (e.g. Human Development Index) as a relevant reference, a given set of European countries are robustly ranked and grouped into several classes based on the composite Road Safety Index. Within each class the 'best-in-class' is then identified. By benchmarking road safety performance, the results serve to promote best practice, encourage the adoption of successful road safety strategies and measures and, more importantly, inspire the kind of political leadership needed to create a road transport system that maximizes safety. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. SEMANTIC3D.NET: a New Large-Scale Point Cloud Classification Benchmark

    NASA Astrophysics Data System (ADS)

    Hackel, T.; Savinov, N.; Ladicky, L.; Wegner, J. D.; Schindler, K.; Pollefeys, M.

    2017-05-01

    This paper presents a new 3D point cloud classification benchmark data set with over four billion manually labelled points, meant as input for data-hungry (deep) learning methods. We also discuss first submissions to the benchmark that use deep convolutional neural networks (CNNs) as a work horse, which already show remarkable performance improvements over state-of-the-art. CNNs have become the de-facto standard for many tasks in computer vision and machine learning like semantic segmentation or object detection in images, but have no yet led to a true breakthrough for 3D point cloud labelling tasks due to lack of training data. With the massive data set presented in this paper, we aim at closing this data gap to help unleash the full potential of deep learning methods for 3D labelling tasks. Our semantic3D.net data set consists of dense point clouds acquired with static terrestrial laser scanners. It contains 8 semantic classes and covers a wide range of urban outdoor scenes: churches, streets, railroad tracks, squares, villages, soccer fields and castles. We describe our labelling interface and show that our data set provides more dense and complete point clouds with much higher overall number of labelled points compared to those already available to the research community. We further provide baseline method descriptions and comparison between methods submitted to our online system. We hope semantic3D.net will pave the way for deep learning methods in 3D point cloud labelling to learn richer, more general 3D representations, and first submissions after only a few months indicate that this might indeed be the case.

  8. Simulations of the propagation of multiple-FM smoothing by spectral dispersion on OMEGA EP

    DOE PAGES

    Kelly, J. H.; Shvydky, A.; Marozas, J. A.; ...

    2013-02-18

    A one-dimensional (1-D) smoothing by spectral dispersion (SSD) system for smoothing focal-spot nonuniformities using multiple modulation frequencies has been commissioned on one long-pulse beamline of OMEGA EP, the first use of such a system in a high-energy laser. Frequency modulation (FM) to amplitude modulation (AM) conversion in the infrared (IR) output, frequency conversion, and final optics affected the accumulation of B-integral in that beamline. Modeling of this FM-to-AM conversion using the code Miró. was used as input to set the beamline performance limits for picket (short) pulses with multi-FM SSD applied. This article first describes that modeling. The 1-D SSDmore » analytical model of Chuang is first extended to the case of multiple modulators and then used to benchmark Miró simulations. Comparison is also made to an alternative analytic model developed by Hocquet et al. With the confidence engendered by this benchmarking, Miró results for multi-FM SSD applied on OMEGA EP are then presented. The relevant output section(s) of the OMEGA EP Laser System are described. The additional B-integral in OMEGA EP IR components upstream of the frequency converters due to AM is modeled. The importance of locating the image of the SSD dispersion grating at the frequency converters is demonstrated. In conclusion, since frequency conversion is not performed in OMEGA EP’s target chamber, the additional AM due to propagation to the target chamber’s vacuum window is modeled.« less

  9. [Organization of medical specialization in cervical cancer and its control in Brazil: the Instituto de Ginecologia in Rio de Janeiro in the mid-twentieth century].

    PubMed

    Lana, Vanessa

    2016-01-01

    Instituto de Ginecologia (Institute of Gynecology), in Rio de Janeiro, headed by Dr. Arnaldo de Moraes, was the first institution in Brazil to introduce and divulge medical techniques for the control of cervical cancer in the mid-1900s. It became a benchmark for actions geared towards the disease at the time, organizing a specific diagnostic procedure that set Brazilian medicine apart in the field, in which it remained a leader until the 1970s. The aim of this text is to discuss the organization and running of the institution from two perspectives: its role in enhancing the position of gynecology as a medical specialty, and its role in spreading a standard practice for the control of cervical cancer.

  10. Robust nonlinear variable selective control for networked systems

    NASA Astrophysics Data System (ADS)

    Rahmani, Behrooz

    2016-10-01

    This paper is concerned with the networked control of a class of uncertain nonlinear systems. In this way, Takagi-Sugeno (T-S) fuzzy modelling is used to extend the previously proposed variable selective control (VSC) methodology to nonlinear systems. This extension is based upon the decomposition of the nonlinear system to a set of fuzzy-blended locally linearised subsystems and further application of the VSC methodology to each subsystem. To increase the applicability of the T-S approach for uncertain nonlinear networked control systems, this study considers the asynchronous premise variables in the plant and the controller, and then introduces a robust stability analysis and control synthesis. The resulting optimal switching-fuzzy controller provides a minimum guaranteed cost on an H2 performance index. Simulation studies on three nonlinear benchmark problems demonstrate the effectiveness of the proposed method.

  11. Data from selected U.S. Geological Survey National Stream Water-Quality Networks (WQN)

    USGS Publications Warehouse

    Alexander, Richard B.; Slack, J.R.; Ludtke, A.S.; Fitzgerald, K.K.; Schertz, T.L.; Briel, L.I.; Buttleman, K.P.

    1996-01-01

    This CD-ROM set contains data from two USGS national stream water-quality networks, the Hydrologic Benchmark Network (HBN) and the National Stream Quality Accounting Network (NASQAN), operated during the past 30 years. These networks were established to provide national and regional descriptions of stream water-quality conditions and trends, based on uniform monitoring of selected watersheds throughout the United States, and to improve our understanding of the effects of the natural environment and human activities on water quality. The HBN, consisting of 63 relatively small, minimally disturbed watersheds, provides data for investigating naturally induced changes in streamflow and water quality and the effects of airborne substances on water quality. NASQAN, consisting of 618 larger, more culturally influenced watersheds, provides information for tracking water-quality conditions in major U.S. rivers and streams.

  12. 77 FR 15969 - Waybill Data Released in Three-Benchmark Rail Rate Proceedings

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-19

    ... confidentiality of the contract rates, as required by 49 U.S.C. 11904. Background In Simplified Standards for Rail Rate Cases (Simplified Standards), EP 646 (Sub-No. 1) (STB served Sept. 5, 2007), aff'd sub nom. CSX...\\ Under the Three-Benchmark method as revised in Simplified Standards, each party creates and proffers to...

  13. 75 FR 24534 - Treatment of Cigarettes and Smokeless Tobacco as Nonmailable Matter

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-05

    ... photocopy all written comments at USPS Headquarters Library, 475 L'Enfant Plaza, SW., 11th Floor North... benchmarking purposes of cigarette brands or sub-brands among existing adult smokers.'' 18 U.S.C. 1716E(b)(5)(D... of evaluating the product for quality assurance and benchmarking purposes of cigarette brands or sub...

  14. How Sound Is NSSE? Investigating the Psychometric Properties of NSSE at a Public, Research-Extensive Institution

    ERIC Educational Resources Information Center

    Campbell, Corbin M.; Cabrera, Alberto F.

    2011-01-01

    The National Survey of Student Engagement (NSSE) Benchmarks has emerged as a competing paradigm for assessing institutional effectiveness vis-a-vis the U.S. News & World Report. However, Porter (2009) has critiqued it for failing to meet validity and reliability standards. This study investigated whether the NSSE five benchmarks had construct…

  15. Cost-Effectiveness Analysis of a Television Campaign to Promote Seasonal Influenza Vaccination Among the Elderly.

    PubMed

    Kim, Minchul; Yoo, Byung-Kwang

    2015-07-01

    The U.S. policy goals regarding influenza vaccination coverage rate among the elderly include the increase in the coverage rate and the elimination of disparities across racial/ethnic groups. To examine the potential effectiveness of a television (TV) campaign to increase seasonal influenza vaccination among the elderly. We estimated the incremental cost-effectiveness ratio (ICER, defined as incremental cost per additionally vaccinated Medicare individual) of a hypothetical nationwide TV campaign for influenza vaccination compared with no campaign. We measured the effectiveness of the nationwide TV campaign (advertised once a week at prime time for 30 seconds) during a 17-week influenza vaccination season among four racial/ethnic elderly groups (N=39 million): non-Hispanic white (W), non-Hispanic African American (AA), English-speaking Hispanic (EH), and Spanish-speaking Hispanic (SH). The hypothetical campaign cost was $5,960,000 (in 2012 US dollars). The estimated campaign effectiveness ranged from -1.1% (the SH group) to 1.42% (the W group), leading to an increased disparity in influenza vaccination among non-Hispanic white and non-Hispanic African American (W-AA) groups (0.6 percentage points), W-EH groups (0.1 percentage points), and W-SH groups (1.5 percentage points). The estimated ICER was $23.54 (95% confidence interval $14.21-$39.37) per additionally vaccinated Medicare elderly in a probabilistic analysis. Race/ethnicity-specific ICERs were lowest among the EH group ($22.27), followed by the W group ($22.47) and the AA group ($30.55). The nationwide TV campaign was concluded to be reasonably cost-effective compared with a benchmark intervention (with ICER $44.39 per vaccinated individual) of a school-located vaccination program. Break-even analyses estimated the maximum acceptable campaign cost to be $14,870,000, which was comparable to the benchmark ICER. The results could justify public expenditures on the implementation of a future nationwide TV campaign, which should include multilingual campaigns, for promoting seasonal influenza vaccination. Copyright © 2015. Published by Elsevier Inc.

  16. License Compliance Issues For Biopharmaceuticals: Special Challenges For Negotiations Between Companies And Non-Profit Research Institutions

    PubMed Central

    Ponzio, Todd A.; Feindt, Hans; Ferguson, Steven

    2011-01-01

    Summary Biopharmaceuticals are therapeutic products based on biotechnology. They are manufactured by or from living organisms and are the most complex of all commercial medicines to develop, manufacture and qualify for regulatory approval. In recent years biopharmaceuticals have rapidly increased in number and importance with over 4001 already marketed in the U.S. and European markets alone. Many companies throughout the world are now ramping up investments in biopharmaceutical R&D and expanding their portfolios through licensing of early-stage biotechnologies from universities and other non-profit research institutions, and there is an increasing number of license agreements for biopharmaceutical product development relative to traditional small molecule drug compounds. This trend will only continue as large numbers of biosimilars and biogenerics enter the market. A primary goal of technology transfer offices associated with publicly-funded, non-profit research institutions is to establish patent protection for inventions deemed to have commercial potential and license them for product development. Such licenses help stimulate economic development and job creation, bring a stream of royalty revenue to the institution and, hopefully, advance the public good or public health by bringing new and useful products to market. In the course of applying for such licenses, a commercial development plan is usually put forth by the license applicant. This plan indicates the path the applicant expects to follow to bring the licensed invention to market. In the case of small molecule drug compounds, there exists a widely-recognized series of clinical development steps, dictated by regulatory requirements, that must be met to bring a new drug to market, such as completion of preclinical toxicology, Phase 1, 2 and 3 testing and product approvals. These steps often become the milestone/benchmark schedule incorporated into license agreements which technology transfer offices use to monitor the licensee’s diligence and progress; most exclusive licenses include a commercial development plan, with penalties, financial or even revocation of the license, if the plan is not followed, e.g., the license falls too far behind. This study examines whether developmental milestone schedules based on a small molecule drug development model are useful and realistic in setting expectations for biopharmaceutical product development. We reviewed the monitoring records of all exclusive Public Health Service (PHS) commercial development license agreements for small molecule drugs or therapeutics based on biotechnology (biopharmaceuticals) executed by the National Institutes of Health (NIH) Office of Technology Transfer (OTT) between 2003 and 2009. We found that most biopharmaceutical development license agreements required amending because developmental milestones in the negotiated schedule could not be met by the licensee. This was in stark contrast with license agreements for small molecule chemical compounds which rarely needed changes to their developmental milestone schedules. As commercial development licenses for biopharmaceuticals make up the vast majority of NIH’s exclusive license agreements, there is clearly a need to: 1) more closely examine how these benchmark schedules are formed, 2) try to understand the particular risk factors contributing to benchmark schedule non-compliance, and 3) devise alternatives to the current license benchmark schedule structural model. Schedules that properly weigh the most relevant risk factors such as technology classification (e.g., vaccine vs recombinant antibody vs gene therapy), likelihood of unforeseen regulatory issues, and company size/structure may help assure compliance with original license benchmark schedules. This understanding, coupled with a modified approach to the license negotiation process that makes use of a clear and comprehensive term sheet to minimize ambiguities should result in a more realistic benchmark schedule. PMID:22162900

  17. MCNP6 Fission Multiplicity with FMULT Card

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

    Wilcox, Trevor; Fensin, Michael Lorne; Hendricks, John S.

    With the merger of MCNPX and MCNP5 into MCNP6, MCNP6 now provides all the capabilities of both codes allowing the user to access all the fission multiplicity data sets. Detailed in this paper is: (1) the new FMULT card capabilities for accessing these different data sets; (2) benchmark calculations, as compared to experiment, detailing the results of selecting these separate data sets for thermal neutron induced fission on U-235.

  18. Does the Conceptual Distinction between Singular and Plural Sets Depend on Language?

    ERIC Educational Resources Information Center

    Li, Peggy; Ogura, Tamiko; Barner, David; Yang, Shu-Ju; Carey, Susan

    2009-01-01

    Previous studies indicate that English-learning children acquire the distinction between singular and plural nouns between 22 and 24 months of age. Also, their use of the distinction is correlated with the capacity to distinguish nonlinguistically between singular and plural sets in a manual search paradigm (D. Barner, D. Thalwitz, J. Wood, S.…

  19. Presence of the Corexit component dioctyl sodium sulfosuccinate in Gulf of Mexico waters after the 2010 Deepwater Horizon oil spill

    USGS Publications Warehouse

    Gray, James L.; Kanagy, Leslie K.; Furlong, Edward T.; Kanagy, Chris J.; McCoy, Jeff W.; Mason, Andrew; Lauenstein, Gunnar

    2014-01-01

    Between April 22 and July 15, 2010, approximately 4.9 million barrels of oil were released into the Gulf of Mexico from the Deepwater Horizon oil well. Approximately 16% of the oil was chemically dispersed, at the surface and at 1500 m depth, using Corexit 9527 and Corexit 9500, which contain dioctyl sodium sulfosuccinate (DOSS) as a major surfactant component. This was the largest documented release of oil in history at substantial depth, and the first time large quantities of dispersant (0.77 million gallons of approximately 1.9 million gallons total) were applied to a subsurface oil plume. During two cruises in late May and early June, water samples were collected at the surface and at depth for DOSS analysis. Real-time fluorimetry data was used to infer the presence of oil components to select appropriate sampling depths. Samples were stored frozen and in the dark for approximately 6 months prior to analysis by liquid chromatography/tandem mass spectrometry with isotope-dilution quantification. The blank-limited method detection limit (0.25 μg L−1) was substantially less than the U.S. Environmental Protection Agency’s (USEPA) aquatic life benchmark of 40 μg L−1. Concentrations of DOSS exceeding 200 μg L−1 were observed in one surface sample near the well site; in subsurface samples DOSS did not exceed 40 μg L−1. Although DOSS was present at high concentration in the immediate vicinity of the well where it was being continuously applied, a combination of biodegradation, photolysis, and dilution likely reduced persistence at concentrations exceeding the USEPA aquatic life benchmark beyond this immediate area.

  20. Improving average ranking precision in user searches for biomedical research datasets

    PubMed Central

    Gobeill, Julien; Gaudinat, Arnaud; Vachon, Thérèse; Ruch, Patrick

    2017-01-01

    Abstract Availability of research datasets is keystone for health and life science study reproducibility and scientific progress. Due to the heterogeneity and complexity of these data, a main challenge to be overcome by research data management systems is to provide users with the best answers for their search queries. In the context of the 2016 bioCADDIE Dataset Retrieval Challenge, we investigate a novel ranking pipeline to improve the search of datasets used in biomedical experiments. Our system comprises a query expansion model based on word embeddings, a similarity measure algorithm that takes into consideration the relevance of the query terms, and a dataset categorization method that boosts the rank of datasets matching query constraints. The system was evaluated using a corpus with 800k datasets and 21 annotated user queries, and provided competitive results when compared to the other challenge participants. In the official run, it achieved the highest infAP, being +22.3% higher than the median infAP of the participant’s best submissions. Overall, it is ranked at top 2 if an aggregated metric using the best official measures per participant is considered. The query expansion method showed positive impact on the system’s performance increasing our baseline up to +5.0% and +3.4% for the infAP and infNDCG metrics, respectively. The similarity measure algorithm showed robust performance in different training conditions, with small performance variations compared to the Divergence from Randomness framework. Finally, the result categorization did not have significant impact on the system’s performance. We believe that our solution could be used to enhance biomedical dataset management systems. The use of data driven expansion methods, such as those based on word embeddings, could be an alternative to the complexity of biomedical terminologies. Nevertheless, due to the limited size of the assessment set, further experiments need to be performed to draw conclusive results. Database URL: https://biocaddie.org/benchmark-data PMID:29220475

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