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Sample records for canonical ensemble method

  1. Stabilizing canonical-ensemble calculations in the auxiliary-field Monte Carlo method

    Science.gov (United States)

    Gilbreth, C. N.; Alhassid, Y.

    2015-03-01

    Quantum Monte Carlo methods are powerful techniques for studying strongly interacting Fermi systems. However, implementing these methods on computers with finite-precision arithmetic requires careful attention to numerical stability. In the auxiliary-field Monte Carlo (AFMC) method, low-temperature or large-model-space calculations require numerically stabilized matrix multiplication. When adapting methods used in the grand-canonical ensemble to the canonical ensemble of fixed particle number, the numerical stabilization increases the number of required floating-point operations for computing observables by a factor of the size of the single-particle model space, and thus can greatly limit the systems that can be studied. We describe an improved method for stabilizing canonical-ensemble calculations in AFMC that exhibits better scaling, and present numerical tests that demonstrate the accuracy and improved performance of the method.

  2. Method of collective variables with reference system for the grand canonical ensemble

    International Nuclear Information System (INIS)

    Yukhnovskii, I.R.

    1989-01-01

    A method of collective variables with special reference system for the grand canonical ensemble is presented. An explicit form is obtained for the basis sixth-degree measure density needed to describe the liquid-gas phase transition. Here the author presents the fundamentals of the method, which are as follows: (1) the functional form for the partition function in the grand canonical ensemble; (2) derivation of thermodynamic relations for the coefficients of the Jacobian; (3) transition to the problem on an adequate lattice; and (4) obtaining of the explicit form for the functional of the partition function

  3. Generation of triangulated random surfaces by the Monte Carlo method in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Zmushko, V.V.; Migdal, A.A.

    1987-01-01

    A model of triangulated random surfaces which is the discrete analog of the Polyakov string is considered. An algorithm is proposed which enables one to study the model by the Monte Carlo method in the grand canonical ensemble. Preliminary results on the determination of the critical index γ are presented

  4. Derivation of Mayer Series from Canonical Ensemble

    International Nuclear Information System (INIS)

    Wang Xian-Zhi

    2016-01-01

    Mayer derived the Mayer series from both the canonical ensemble and the grand canonical ensemble by use of the cluster expansion method. In 2002, we conjectured a recursion formula of the canonical partition function of a fluid (X.Z. Wang, Phys. Rev. E 66 (2002) 056102). In this paper we give a proof for this formula by developing an appropriate expansion of the integrand of the canonical partition function. We further derive the Mayer series solely from the canonical ensemble by use of this recursion formula. (paper)

  5. Derivation of Mayer Series from Canonical Ensemble

    Science.gov (United States)

    Wang, Xian-Zhi

    2016-02-01

    Mayer derived the Mayer series from both the canonical ensemble and the grand canonical ensemble by use of the cluster expansion method. In 2002, we conjectured a recursion formula of the canonical partition function of a fluid (X.Z. Wang, Phys. Rev. E 66 (2002) 056102). In this paper we give a proof for this formula by developing an appropriate expansion of the integrand of the canonical partition function. We further derive the Mayer series solely from the canonical ensemble by use of this recursion formula.

  6. A second-order unconstrained optimization method for canonical-ensemble density-functional methods

    Science.gov (United States)

    Nygaard, Cecilie R.; Olsen, Jeppe

    2013-03-01

    A second order converging method of ensemble optimization (SOEO) in the framework of Kohn-Sham Density-Functional Theory is presented, where the energy is minimized with respect to an ensemble density matrix. It is general in the sense that the number of fractionally occupied orbitals is not predefined, but rather it is optimized by the algorithm. SOEO is a second order Newton-Raphson method of optimization, where both the form of the orbitals and the occupation numbers are optimized simultaneously. To keep the occupation numbers between zero and two, a set of occupation angles is defined, from which the occupation numbers are expressed as trigonometric functions. The total number of electrons is controlled by a built-in second order restriction of the Newton-Raphson equations, which can be deactivated in the case of a grand-canonical ensemble (where the total number of electrons is allowed to change). To test the optimization method, dissociation curves for diatomic carbon are produced using different functionals for the exchange-correlation energy. These curves show that SOEO favors symmetry broken pure-state solutions when using functionals with exact exchange such as Hartree-Fock and Becke three-parameter Lee-Yang-Parr. This is explained by an unphysical contribution to the exact exchange energy from interactions between fractional occupations. For functionals without exact exchange, such as local density approximation or Becke Lee-Yang-Parr, ensemble solutions are favored at interatomic distances larger than the equilibrium distance. Calculations on the chromium dimer are also discussed. They show that SOEO is able to converge to ensemble solutions for systems that are more complicated than diatomic carbon.

  7. Quantum statistical model of nuclear multifragmentation in the canonical ensemble method

    International Nuclear Information System (INIS)

    Toneev, V.D.; Ploszajczak, M.; Parvant, A.S.; Toneev, V.D.; Parvant, A.S.

    1999-01-01

    A quantum statistical model of nuclear multifragmentation is proposed. The recurrence equation method used the canonical ensemble makes the model solvable and transparent to physical assumptions and allows to get results without involving the Monte Carlo technique. The model exhibits the first order phase transition. Quantum statistics effects are clearly seen on the microscopic level of occupation numbers but are almost washed out for global thermodynamic variables and the averaged observables studied. In the latter case, the recurrence relations for multiplicity distributions of both intermediate-mass and all fragments are derived and the specific changes in the shape of multiplicity distributions in the narrow region of the transition temperature is stressed. The temperature domain favorable to search for the HBT effect is noted. (authors)

  8. Quantum statistical model of nuclear multifragmentation in the canonical ensemble method

    Energy Technology Data Exchange (ETDEWEB)

    Toneev, V.D.; Ploszajczak, M. [Grand Accelerateur National d' Ions Lourds (GANIL), 14 - Caen (France); Parvant, A.S. [Institute of Applied Physics, Moldova Academy of Sciences, MD Moldova (Ukraine); Parvant, A.S. [Joint Institute for Nuclear Research, Bogoliubov Lab. of Theoretical Physics, Dubna (Russian Federation)

    1999-07-01

    A quantum statistical model of nuclear multifragmentation is proposed. The recurrence equation method used the canonical ensemble makes the model solvable and transparent to physical assumptions and allows to get results without involving the Monte Carlo technique. The model exhibits the first order phase transition. Quantum statistics effects are clearly seen on the microscopic level of occupation numbers but are almost washed out for global thermodynamic variables and the averaged observables studied. In the latter case, the recurrence relations for multiplicity distributions of both intermediate-mass and all fragments are derived and the specific changes in the shape of multiplicity distributions in the narrow region of the transition temperature is stressed. The temperature domain favorable to search for the HBT effect is noted. (authors)

  9. Generation of triangulated random surfaces by means of the Monte Carlo method in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Zmushko, V.V.; Migdal, A.A.

    1987-01-01

    A model of triangulated random surfaces which is the discrete analogue of the Polyakov string is considered in the work. An algorithm is proposed which enables one to study the model by means of the Monte Carlo method in the grand canonical ensemble. Preliminary results are presented on the evaluation of the critical index γ

  10. The canonical ensemble redefined - 1: Formalism

    International Nuclear Information System (INIS)

    Venkataraman, R.

    1984-12-01

    For studying the thermodynamic properties of systems we propose an ensemble that lies in between the familiar canonical and microcanonical ensembles. We point out the transition from the canonical to microcanonical ensemble and prove from a comparative study that all these ensembles do not yield the same results even in the thermodynamic limit. An investigation of the coupling between two or more systems with these ensembles suggests that the state of thermodynamical equilibrium is a special case of statistical equilibrium. (author)

  11. Grand Canonical Ensembles in General Relativity

    International Nuclear Information System (INIS)

    Klein, David; Yang, Wei-Shih

    2012-01-01

    We develop a formalism for general relativistic, grand canonical ensembles in space-times with timelike Killing fields. Using that, we derive ideal gas laws, and show how they depend on the geometry of the particular space-times. A systematic method for calculating Newtonian limits is given for a class of these space-times, which is illustrated for Kerr space-time. In addition, we prove uniqueness of the infinite volume Gibbs measure, and absence of phase transitions for a class of interaction potentials in anti-de Sitter space.

  12. Deviations from Wick's theorem in the canonical ensemble

    Science.gov (United States)

    Schönhammer, K.

    2017-07-01

    Wick's theorem for the expectation values of products of field operators for a system of noninteracting fermions or bosons plays an important role in the perturbative approach to the quantum many-body problem. A finite-temperature version holds in the framework of the grand canonical ensemble, but not for the canonical ensemble appropriate for systems with fixed particle number such as ultracold quantum gases in optical lattices. Here we present formulas for expectation values of products of field operators in the canonical ensemble using a method in the spirit of Gaudin's proof of Wick's theorem for the grand canonical case. The deviations from Wick's theorem are examined quantitatively for two simple models of noninteracting fermions.

  13. Quantum canonical ensemble: A projection operator approach

    Science.gov (United States)

    Magnus, Wim; Lemmens, Lucien; Brosens, Fons

    2017-09-01

    Knowing the exact number of particles N, and taking this knowledge into account, the quantum canonical ensemble imposes a constraint on the occupation number operators. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary but fixed N. On the other hand, fixing only the average number of particles, one may remove the above constraint and simply factorize the traces in Fock space into traces over single-particle states. As is well known, that would be the strategy of the grand-canonical ensemble which, however, comes with an additional Lagrange multiplier to impose the average number of particles. The appearance of this multiplier can be avoided by invoking a projection operator that enables a constraint-free computation of the partition function and its derived quantities in the canonical ensemble, at the price of an angular or contour integration. Introduced in the recent past to handle various issues related to particle-number projected statistics, the projection operator approach proves beneficial to a wide variety of problems in condensed matter physics for which the canonical ensemble offers a natural and appropriate environment. In this light, we present a systematic treatment of the canonical ensemble that embeds the projection operator into the formalism of second quantization while explicitly fixing N, the very number of particles rather than the average. Being applicable to both bosonic and fermionic systems in arbitrary dimensions, transparent integral representations are provided for the partition function ZN and the Helmholtz free energy FN as well as for two- and four-point correlation functions. The chemical potential is not a Lagrange multiplier regulating the average particle number but can be extracted from FN+1 -FN, as illustrated for a two-dimensional fermion gas.

  14. Ensemble Methods

    Science.gov (United States)

    Re, Matteo; Valentini, Giorgio

    2012-03-01

    Ensemble methods are statistical and computational learning procedures reminiscent of the human social learning behavior of seeking several opinions before making any crucial decision. The idea of combining the opinions of different "experts" to obtain an overall “ensemble” decision is rooted in our culture at least from the classical age of ancient Greece, and it has been formalized during the Enlightenment with the Condorcet Jury Theorem[45]), which proved that the judgment of a committee is superior to those of individuals, provided the individuals have reasonable competence. Ensembles are sets of learning machines that combine in some way their decisions, or their learning algorithms, or different views of data, or other specific characteristics to obtain more reliable and more accurate predictions in supervised and unsupervised learning problems [48,116]. A simple example is represented by the majority vote ensemble, by which the decisions of different learning machines are combined, and the class that receives the majority of “votes” (i.e., the class predicted by the majority of the learning machines) is the class predicted by the overall ensemble [158]. In the literature, a plethora of terms other than ensembles has been used, such as fusion, combination, aggregation, and committee, to indicate sets of learning machines that work together to solve a machine learning problem [19,40,56,66,99,108,123], but in this chapter we maintain the term ensemble in its widest meaning, in order to include the whole range of combination methods. Nowadays, ensemble methods represent one of the main current research lines in machine learning [48,116], and the interest of the research community on ensemble methods is witnessed by conferences and workshops specifically devoted to ensembles, first of all the multiple classifier systems (MCS) conference organized by Roli, Kittler, Windeatt, and other researchers of this area [14,62,85,149,173]. Several theories have been

  15. Extension of Kirkwood-Buff theory to the canonical ensemble

    Science.gov (United States)

    Rogers, David M.

    2018-02-01

    Kirkwood-Buff (KB) integrals are notoriously difficult to converge from a canonical simulation because they require estimating the grand-canonical radial distribution. The same essential difficulty is encountered when attempting to estimate the direct correlation function of Ornstein-Zernike theory by inverting the pair correlation functions. We present a new theory that applies to the entire, finite, simulation volume, so that no cutoff issues arise at all. The theory gives the direct correlation function for closed systems, while smoothness of the direct correlation function in reciprocal space allows calculating canonical KB integrals via a well-posed extrapolation to the origin. The present analysis method represents an improvement over previous work because it makes use of the entire simulation volume and its convergence can be accelerated using known properties of the direct correlation function. Using known interaction energy functions can make this extrapolation near perfect accuracy in the low-density case. Because finite size effects are stronger in the canonical than in the grand-canonical ensemble, we state ensemble correction formulas for the chemical potential and the KB coefficients. The new theory is illustrated with both analytical and simulation results on the 1D Ising model and a supercritical Lennard-Jones fluid. For the latter, the finite-size corrections are shown to be small.

  16. Taylor-expansion Monte Carlo simulations of classical fluids in the canonical and grand canonical ensemble

    International Nuclear Information System (INIS)

    Schoen, M.

    1995-01-01

    In this article the Taylor-expansion method is introduced by which Monte Carlo (MC) simulations in the canonical ensemble can be speeded up significantly, Substantial gains in computational speed of 20-40% over conventional implementations of the MC technique are obtained over a wide range of densities in homogeneous bulk phases. The basic philosophy behind the Taylor-expansion method is a division of the neighborhood of each atom (or molecule) into three different spatial zones. Interactions between atoms belonging to each zone are treated at different levels of computational sophistication. For example, only interactions between atoms belonging to the primary zone immediately surrounding an atom are treated explicitly before and after displacement. The change in the configurational energy contribution from secondary-zone interactions is obtained from the first-order term of a Taylor expansion of the configurational energy in terms of the displacement vector d. Interactions with atoms in the tertiary zone adjacent to the secondary zone are neglected throughout. The Taylor-expansion method is not restricted to the canonical ensemble but may be employed to enhance computational efficiency of MC simulations in other ensembles as well. This is demonstrated for grand canonical ensemble MC simulations of an inhomogeneous fluid which can be performed essentially on a modern personal computer

  17. Statistical hadronization and hadronic micro-canonical ensemble II

    International Nuclear Information System (INIS)

    Becattini, F.; Ferroni, L.

    2004-01-01

    We present a Monte Carlo calculation of the micro-canonical ensemble of the ideal hadron-resonance gas including all known states up to a mass of about 1.8 GeV and full quantum statistics. The micro-canonical average multiplicities of the various hadron species are found to converge to the canonical ones for moderately low values of the total energy, around 8 GeV, thus bearing out previous analyses of hadronic multiplicities in the canonical ensemble. The main numerical computing method is an importance sampling Monte Carlo algorithm using the product of Poisson distributions to generate multi-hadronic channels. It is shown that the use of this multi-Poisson distribution allows for an efficient and fast computation of averages, which can be further improved in the limit of very large clusters. We have also studied the fitness of a previously proposed computing method, based on the Metropolis Monte Carlo algorithm, for event generation in the statistical hadronization model. We find that the use of the multi-Poisson distribution as proposal matrix dramatically improves the computation performance. However, due to the correlation of subsequent samples, this method proves to be generally less robust and effective than the importance sampling method. (orig.)

  18. Extending canonical Monte Carlo methods

    International Nuclear Information System (INIS)

    Velazquez, L; Curilef, S

    2010-01-01

    In this paper, we discuss the implications of a recently obtained equilibrium fluctuation-dissipation relation for the extension of the available Monte Carlo methods on the basis of the consideration of the Gibbs canonical ensemble to account for the existence of an anomalous regime with negative heat capacities C α with α≈0.2 for the particular case of the 2D ten-state Potts model

  19. Geometric integrator for simulations in the canonical ensemble

    Energy Technology Data Exchange (ETDEWEB)

    Tapias, Diego, E-mail: diego.tapias@nucleares.unam.mx [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, Ciudad Universitaria, Ciudad de México 04510 (Mexico); Sanders, David P., E-mail: dpsanders@ciencias.unam.mx [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, Ciudad Universitaria, Ciudad de México 04510 (Mexico); Computer Science and Artificial Intelligence Laboratory, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States); Bravetti, Alessandro, E-mail: alessandro.bravetti@iimas.unam.mx [Instituto de Investigaciones en Matemáticas Aplicadas y en Sistemas, Universidad Nacional Autónoma de México, Ciudad Universitaria, Ciudad de México 04510 (Mexico)

    2016-08-28

    We introduce a geometric integrator for molecular dynamics simulations of physical systems in the canonical ensemble that preserves the invariant distribution in equations arising from the density dynamics algorithm, with any possible type of thermostat. Our integrator thus constitutes a unified framework that allows the study and comparison of different thermostats and of their influence on the equilibrium and non-equilibrium (thermo-)dynamic properties of a system. To show the validity and the generality of the integrator, we implement it with a second-order, time-reversible method and apply it to the simulation of a Lennard-Jones system with three different thermostats, obtaining good conservation of the geometrical properties and recovering the expected thermodynamic results. Moreover, to show the advantage of our geometric integrator over a non-geometric one, we compare the results with those obtained by using the non-geometric Gear integrator, which is frequently used to perform simulations in the canonical ensemble. The non-geometric integrator induces a drift in the invariant quantity, while our integrator has no such drift, thus ensuring that the system is effectively sampling the correct ensemble.

  20. Geometric integrator for simulations in the canonical ensemble

    International Nuclear Information System (INIS)

    Tapias, Diego; Sanders, David P.; Bravetti, Alessandro

    2016-01-01

    We introduce a geometric integrator for molecular dynamics simulations of physical systems in the canonical ensemble that preserves the invariant distribution in equations arising from the density dynamics algorithm, with any possible type of thermostat. Our integrator thus constitutes a unified framework that allows the study and comparison of different thermostats and of their influence on the equilibrium and non-equilibrium (thermo-)dynamic properties of a system. To show the validity and the generality of the integrator, we implement it with a second-order, time-reversible method and apply it to the simulation of a Lennard-Jones system with three different thermostats, obtaining good conservation of the geometrical properties and recovering the expected thermodynamic results. Moreover, to show the advantage of our geometric integrator over a non-geometric one, we compare the results with those obtained by using the non-geometric Gear integrator, which is frequently used to perform simulations in the canonical ensemble. The non-geometric integrator induces a drift in the invariant quantity, while our integrator has no such drift, thus ensuring that the system is effectively sampling the correct ensemble.

  1. Canonical ensembles and nonzero density quantum chromodynamics

    International Nuclear Information System (INIS)

    Hasenfratz, A.; Toussaint, D.

    1992-01-01

    We study QCD with nonzero chemical potential on 4 4 lattices by averaging over the canonical partition functions, or sectors with fixed quark number. We derive a condensed matrix of size 2x3xL 3 whose eigenvalues can be used to find the canonical partition functions. We also experiment with a weight for configuration generation which respects the Z(3) symmetry which forces the canonical partition function to be zero for quark numbers that are not multiples of three. (orig.)

  2. On the coupling of statistic sum of canonical and large canonical ensemble of interacting particles

    International Nuclear Information System (INIS)

    Vall, A.N.

    2000-01-01

    Potentiality of refining the known result based on analytic properties of a great statistical sum, as a function of the absolute activity of the boundary integral contribution into statistical sum, is considered. A strict asymptotic ratio between statistical sums of canonical and large canonical ensemble of interacting particles was derived [ru

  3. Universal critical wrapping probabilities in the canonical ensemble

    Directory of Open Access Journals (Sweden)

    Hao Hu

    2015-09-01

    Full Text Available Universal dimensionless quantities, such as Binder ratios and wrapping probabilities, play an important role in the study of critical phenomena. We study the finite-size scaling behavior of the wrapping probability for the Potts model in the random-cluster representation, under the constraint that the total number of occupied bonds is fixed, so that the canonical ensemble applies. We derive that, in the limit L→∞, the critical values of the wrapping probability are different from those of the unconstrained model, i.e. the model in the grand-canonical ensemble, but still universal, for systems with 2yt−d>0 where yt=1/ν is the thermal renormalization exponent and d is the spatial dimension. Similar modifications apply to other dimensionless quantities, such as Binder ratios. For systems with 2yt−d≤0, these quantities share same critical universal values in the two ensembles. It is also derived that new finite-size corrections are induced. These findings apply more generally to systems in the canonical ensemble, e.g. the dilute Potts model with a fixed total number of vacancies. Finally, we formulate an efficient cluster-type algorithm for the canonical ensemble, and confirm these predictions by extensive simulations.

  4. Determination of the vapor–liquid transition of square-well particles using a novel generalized-canonical-ensemble-based method

    International Nuclear Information System (INIS)

    Zhao Liang; Tu Yu-Song; Xu Shun; Zhou Xin

    2017-01-01

    The square-well (SW) potential is one of the simplest pair potential models and its phase behavior has been clearly revealed, therefore it has become a benchmark for checking new theories or numerical methods. We introduce the generalized canonical ensemble (GCE) into the isobaric replica exchange Monte Carlo (REMC) algorithm to form a novel isobaric GCE-REMC method, and apply it to the study of vapor–liquid transition of SW particles. It is validated that this method can reproduce the vapor–liquid diagram of SW particles by comparing the estimated vapor–liquid binodals and the critical point with those from the literature. The notable advantage of this method is that the unstable vapor–liquid coexisting states, which cannot be detected using conventional sampling techniques, are accessed with a high sampling efficiency. Besides, the isobaric GCE-REMC method can visit all the possible states, including stable, metastable or unstable states during the phase transition over a wide pressure range, providing an effective pathway to understand complex phase transitions during the nucleation or crystallization process in physical or biological systems. (paper)

  5. Canonical Ensemble Model for Black Hole Horizon of Schwarzschild ...

    Indian Academy of Sciences (India)

    Abstract. In this paper, we use the canonical ensemble model to discuss the radiation of a Schwarzschild–de Sitter black hole on the black hole horizon. Using this model, we calculate the probability distribution from function of the emission shell. And the statistical meaning which compare with the distribution function is ...

  6. A grand-canonical ensemble of randomly triangulated surfaces

    International Nuclear Information System (INIS)

    Jurkiewicz, J.; Krzywicki, A.; Petersson, B.

    1986-01-01

    An algorithm is presented generating the grand-canonical ensemble of discrete, randomly triangulated Polyakov surfaces. The algorithm is used to calculate the susceptibility exponent, which controls the existence of the continuum limit of the considered model, for the dimensionality of the embedding space ranging from 0 to 20. (orig.)

  7. Canonical Ensemble Model for Black Hole Radiation Jingyi Zhang

    Indian Academy of Sciences (India)

    Canonical Ensemble Model for Black Hole Radiation. 575. For entropy, there is no corresponding thermodynamical quantity, without loss of generalization. Let us define an entropy operator. ˆS = −KB ln ˆρ. (11). Then, the mean value of entropy is. S ≡〈ˆS〉 = tr( ˆρ ˆS) = −KBtr( ˆρ ln ˆρ). (12). For ideal gases, let y = V , then the ...

  8. A molecular dynamics algorithm for simulation of field theories in the canonical ensemble

    International Nuclear Information System (INIS)

    Kogut, J.B.; Sinclair, D.K.

    1986-01-01

    We add a single scalar degree of freedom (''demon'') to the microcanonical ensemble which converts its molecular dynamics into a simulation method for the canonical ensemble (euclidean path integral) of the underlying field theory. This generalization of the microcanonical molecular dynamics algorithm simulates the field theory at fixed coupling with a completely deterministic procedure. We discuss the finite size effects of the method, the equipartition theorem and ergodicity. The method is applied to the planar model in two dimensions and SU(3) lattice gauge theory with four species of light, dynamical quarks in four dimensions. The method is much less sensitive to its discrete time step than conventional Langevin equation simulations of the canonical ensemble. The method is a straightforward generalization of a procedure introduced by S. Nose for molecular physics. (orig.)

  9. Symmetric minimally entangled typical thermal states for canonical and grand-canonical ensembles

    Science.gov (United States)

    Binder, Moritz; Barthel, Thomas

    2017-05-01

    Based on the density matrix renormalization group (DMRG), strongly correlated quantum many-body systems at finite temperatures can be simulated by sampling over a certain class of pure matrix product states (MPS) called minimally entangled typical thermal states (METTS). When a system features symmetries, these can be utilized to substantially reduce MPS computation costs. It is conceptually straightforward to simulate canonical ensembles using symmetric METTS. In practice, it is important to alternate between different symmetric collapse bases to decrease autocorrelations in the Markov chain of METTS. To this purpose, we introduce symmetric Fourier and Haar-random block bases that are efficiently mixing. We also show how grand-canonical ensembles can be simulated efficiently with symmetric METTS. We demonstrate these approaches for spin-1 /2 X X Z chains and discuss how the choice of the collapse bases influences autocorrelations as well as the distribution of measurement values and, hence, convergence speeds.

  10. Climate Prediction Center(CPC)Ensemble Canonical Correlation Analysis Forecast of Temperature

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Ensemble Canonical Correlation Analysis (ECCA) temperature forecast is a 90-day (seasonal) outlook of US surface temperature anomalies. The ECCA uses Canonical...

  11. Ensemble Data Mining Methods

    Data.gov (United States)

    National Aeronautics and Space Administration — Ensemble Data Mining Methods, also known as Committee Methods or Model Combiners, are machine learning methods that leverage the power of multiple models to achieve...

  12. Ensemble Data Mining Methods

    Science.gov (United States)

    Oza, Nikunj C.

    2004-01-01

    Ensemble Data Mining Methods, also known as Committee Methods or Model Combiners, are machine learning methods that leverage the power of multiple models to achieve better prediction accuracy than any of the individual models could on their own. The basic goal when designing an ensemble is the same as when establishing a committee of people: each member of the committee should be as competent as possible, but the members should be complementary to one another. If the members are not complementary, Le., if they always agree, then the committee is unnecessary---any one member is sufficient. If the members are complementary, then when one or a few members make an error, the probability is high that the remaining members can correct this error. Research in ensemble methods has largely revolved around designing ensembles consisting of competent yet complementary models.

  13. Climate Prediction Center (CPC)Ensemble Canonical Correlation Analysis 90-Day Seasonal Forecast of Precipitation

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Ensemble Canonical Correlation Analysis (ECCA) precipitation forecast is a 90-day (seasonal) outlook of US surface precipitation anomalies. The ECCA uses...

  14. Momentum distribution functions in ensembles: the inequivalence of microcannonical and canonical ensembles in a finite ultracold system.

    Science.gov (United States)

    Wang, Pei; Xianlong, Gao; Li, Haibin

    2013-08-01

    It is demonstrated in many thermodynamic textbooks that the equivalence of the different ensembles is achieved in the thermodynamic limit. In this present work we discuss the inequivalence of microcanonical and canonical ensembles in a finite ultracold system at low energies. We calculate the microcanonical momentum distribution function (MDF) in a system of identical fermions (bosons). We find that the microcanonical MDF deviates from the canonical one, which is the Fermi-Dirac (Bose-Einstein) function, in a finite system at low energies where the single-particle density of states and its inverse are finite.

  15. The canonical ensemble redefined - 3. Ideal Bose gas

    International Nuclear Information System (INIS)

    Venkataraman, R.

    1984-12-01

    The ideal Bose gas solved in the redefined ensemble formalism exhibits a discontinuity in the specific heat suggesting that Bose-Einstein condensation is a second order phase transition. The deviations from the classical ideal gas behaviour are larger than those predicted by Gibbs ensemble. Below Tsub(c) the pressure is not independent of the volume. For a certain range of values of VT 3 , the peak in black body radiation shows a shift in the frequency scale and this could be detected, at least in principle, experimentally. (author)

  16. Quantum correlations of ideal Bose and Fermi gases in the canonical ensemble

    International Nuclear Information System (INIS)

    Tsutsui, Kazumasa; Kita, Takafumi

    2016-01-01

    We derive an expression for the reduced density matrices of ideal Bose and Fermi gases in the canonical ensemble, which corresponds to the Bloch-De Dominicis (or Wick's) theorem in the grand canonical ensemble for normal-ordered products of operators. Using this expression, we study one- and two-body correlations of homogeneous ideal gases with N particles. The pair distribution function g (2) (r) of fermions clearly exhibits antibunching with g (2) (0) = 0 due to the Pauli exclusion principle at all temperatures, whereas that of normal bosons shows bunching with g (2) (0) ≈ 2, corresponding to the Hanbury Brown-Twiss effect. For bosons below the Bose-Einstein condensation temperature T 0 , an off-diagonal long-range order develops in the one-particle density matrix to reach g (1) (r) = 1 at T = 0, and the pair correlation starts to decrease towards g (2) (r) ≈ 1 at T = 0. The results for N → ∞ are seen to converge to those of the grand canonical ensemble obtained by assuming the average <ψ(r)> of the field operator ψ(r) below T 0 . This fact justifies the introduction of the 'anomalous' average <ψ(r)> ≠ 0 below T 0 in the grand canonical ensemble as a mathematical means of removing unphysical particle-number fluctuations to reproduce the canonical results in the thermodynamic limit. (author)

  17. Relaxation in a two-body Fermi-Pasta-Ulam system in the canonical ensemble

    Science.gov (United States)

    Sen, Surajit; Barrett, Tyler

    The study of the dynamics of the Fermi-Pasta-Ulam (FPU) chain remains a challenging problem. Inspired by the recent work of Onorato et al. on thermalization in the FPU system, we report a study of relaxation processes in a two-body FPU system in the canonical ensemble. The studies have been carried out using the Recurrence Relations Method introduced by Zwanzig, Mori, Lee and others. We have obtained exact analytical expressions for the first thirteen levels of the continued fraction representation of the Laplace transformed velocity autocorrelation function of the system. Using simple and reasonable extrapolation schemes and known limits we are able to estimate the relaxation behavior of the oscillators in the two-body FPU system and recover the expected behavior in the harmonic limit. Generalizations of the calculations to larger systems will be discussed.

  18. Simulating prescribed particle densities in the grand canonical ensemble using iterative algorithms.

    Science.gov (United States)

    Malasics, Attila; Gillespie, Dirk; Boda, Dezso

    2008-03-28

    We present two efficient iterative Monte Carlo algorithms in the grand canonical ensemble with which the chemical potentials corresponding to prescribed (targeted) partial densities can be determined. The first algorithm works by always using the targeted densities in the kT log(rho(i)) (ideal gas) terms and updating the excess chemical potentials from the previous iteration. The second algorithm extrapolates the chemical potentials in the next iteration from the results of the previous iteration using a first order series expansion of the densities. The coefficients of the series, the derivatives of the densities with respect to the chemical potentials, are obtained from the simulations by fluctuation formulas. The convergence of this procedure is shown for the examples of a homogeneous Lennard-Jones mixture and a NaCl-CaCl(2) electrolyte mixture in the primitive model. The methods are quite robust under the conditions investigated. The first algorithm is less sensitive to initial conditions.

  19. Distribution for fermionic discrete lattice gas within the canonical ensemble

    International Nuclear Information System (INIS)

    Kutner, R.; Barszczak, T.

    1991-01-01

    The distinct deviations from the Fermi-Dirac statistics ascertained recently at low temperatures for a one-dimensional, spinless fermionic discrete lattice gas with conserved number of noninteracting particles hopping on the nondegenerated, well-separated single-particle energy levels are studied in numerical and theoretical terms. The generalized distribution is derived in the form n(h) = {Y h exp[(var-epsilon h -μ)β]+1} -1 valid even in the thermodynamic limit, when the discreteness of the energy levels is kept. This distribution demonstrates good agreement with the data obtained numerically both by the canonical partition-function technique and by Monte Carlo simulation

  20. Alternative Hamiltonian for molecular dynamics simulations in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Lo, C.; Palmer, B.

    1995-01-01

    An alternative to the Hamiltonian of Cagin and Pettitt for performing molecular dynamics simulations in the grand canonical ensemble is presented and used as the basis for a new algorithm. The algorithm is tested on the ideal gas and the truncated and shifted Lennard-Jones fluid. Simulations are used to calculate the vapor--liquid coexistence points for the Lennard-Jones system and are found to be in agreement with previous calculations using Gibbs ensemble calculations and with the Nicolas equation of state. Simulations are also performed on the Lennard-Jones solid

  1. Isobars of an ideal Bose gas within the grand canonical ensemble

    International Nuclear Information System (INIS)

    Jeon, Imtak; Park, Jeong-Hyuck; Kim, Sang-Woo

    2011-01-01

    We investigate the isobar of an ideal Bose gas confined in a cubic box within the grand canonical ensemble for a large yet finite number of particles, N. After solving the equation of the spinodal curve, we derive precise formulas for the supercooling and the superheating temperatures that reveal an N -1/3 or N -1/4 power correction to the known Bose-Einstein condensation temperature in the thermodynamic limit. Numerical computations confirm the accuracy of our analytical approximation, and further show that the isobar zigzags on the temperature-volume plane if N≥14 393. In particular, for the Avogadro's number of particles, the volume expands discretely about 10 5 times. Our results quantitatively agree with a previous study on the canonical ensemble within 0.1% error.

  2. Finite temperature grand canonical ensemble study of the minimum electrophilicity principle.

    Science.gov (United States)

    Miranda-Quintana, Ramón Alain; Chattaraj, Pratim K; Ayers, Paul W

    2017-09-28

    We analyze the minimum electrophilicity principle of conceptual density functional theory using the framework of the finite temperature grand canonical ensemble. We provide support for this principle, both for the cases of systems evolving from a non-equilibrium to an equilibrium state and for the change from one equilibrium state to another. In doing so, we clearly delineate the cases where this principle can, or cannot, be used.

  3. Asymptotic expansion in the local limit theorem for the particle number in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Pogosian, S.

    1981-01-01

    It is known that in the grand canonical ensemble (for the case of small density of particles) the fluctuations (approximately mod(Λ)sup(1/2)) in the particle number have an asymptotic normal distribution as Λ→infinity. A similar statement holds for the distribution of the particle number in a bounded domain evaluated with respect to the limiting Gibbs distribution. The author obtains an asymptotic expansion in the local limit theorem for the particle number in the grand canonical ensemble, by using the asymptotic expansion of the grand canonical partition function. The coefficients of this expansion are not constants but depend on the form of the domain Λ. More precisely, they are constant up to a correction which is small (for large Λ). The author obtains an explicit form for the second term of the asymptotic expansion in the local limit theorem for the particle number, and also gets the first correction terms for the coefficients of this expansion. (Auth.)

  4. Ensemble method for dengue prediction.

    Science.gov (United States)

    Buczak, Anna L; Baugher, Benjamin; Moniz, Linda J; Bagley, Thomas; Babin, Steven M; Guven, Erhan

    2018-01-01

    In the 2015 NOAA Dengue Challenge, participants made three dengue target predictions for two locations (Iquitos, Peru, and San Juan, Puerto Rico) during four dengue seasons: 1) peak height (i.e., maximum weekly number of cases during a transmission season; 2) peak week (i.e., week in which the maximum weekly number of cases occurred); and 3) total number of cases reported during a transmission season. A dengue transmission season is the 12-month period commencing with the location-specific, historical week with the lowest number of cases. At the beginning of the Dengue Challenge, participants were provided with the same input data for developing the models, with the prediction testing data provided at a later date. Our approach used ensemble models created by combining three disparate types of component models: 1) two-dimensional Method of Analogues models incorporating both dengue and climate data; 2) additive seasonal Holt-Winters models with and without wavelet smoothing; and 3) simple historical models. Of the individual component models created, those with the best performance on the prior four years of data were incorporated into the ensemble models. There were separate ensembles for predicting each of the three targets at each of the two locations. Our ensemble models scored higher for peak height and total dengue case counts reported in a transmission season for Iquitos than all other models submitted to the Dengue Challenge. However, the ensemble models did not do nearly as well when predicting the peak week. The Dengue Challenge organizers scored the dengue predictions of the Challenge participant groups. Our ensemble approach was the best in predicting the total number of dengue cases reported for transmission season and peak height for Iquitos, Peru.

  5. Ensemble method for dengue prediction.

    Directory of Open Access Journals (Sweden)

    Anna L Buczak

    Full Text Available In the 2015 NOAA Dengue Challenge, participants made three dengue target predictions for two locations (Iquitos, Peru, and San Juan, Puerto Rico during four dengue seasons: 1 peak height (i.e., maximum weekly number of cases during a transmission season; 2 peak week (i.e., week in which the maximum weekly number of cases occurred; and 3 total number of cases reported during a transmission season. A dengue transmission season is the 12-month period commencing with the location-specific, historical week with the lowest number of cases. At the beginning of the Dengue Challenge, participants were provided with the same input data for developing the models, with the prediction testing data provided at a later date.Our approach used ensemble models created by combining three disparate types of component models: 1 two-dimensional Method of Analogues models incorporating both dengue and climate data; 2 additive seasonal Holt-Winters models with and without wavelet smoothing; and 3 simple historical models. Of the individual component models created, those with the best performance on the prior four years of data were incorporated into the ensemble models. There were separate ensembles for predicting each of the three targets at each of the two locations.Our ensemble models scored higher for peak height and total dengue case counts reported in a transmission season for Iquitos than all other models submitted to the Dengue Challenge. However, the ensemble models did not do nearly as well when predicting the peak week.The Dengue Challenge organizers scored the dengue predictions of the Challenge participant groups. Our ensemble approach was the best in predicting the total number of dengue cases reported for transmission season and peak height for Iquitos, Peru.

  6. Statistical mechanics of Fermi-Pasta-Ulam chains with the canonical ensemble

    Science.gov (United States)

    Demirel, Melik C.; Sayar, Mehmet; Atılgan, Ali R.

    1997-03-01

    Low-energy vibrations of a Fermi-Pasta-Ulam-Β (FPU-Β) chain with 16 repeat units are analyzed with the aid of numerical experiments and the statistical mechanics equations of the canonical ensemble. Constant temperature numerical integrations are performed by employing the cubic coupling scheme of Kusnezov et al. [Ann. Phys. 204, 155 (1990)]. Very good agreement is obtained between numerical results and theoretical predictions for the probability distributions of the generalized coordinates and momenta both of the chain and of the thermal bath. It is also shown that the average energy of the chain scales linearly with the bath temperature.

  7. Nonequilibrium statistical mechanics ensemble method

    CERN Document Server

    Eu, Byung Chan

    1998-01-01

    In this monograph, nonequilibrium statistical mechanics is developed by means of ensemble methods on the basis of the Boltzmann equation, the generic Boltzmann equations for classical and quantum dilute gases, and a generalised Boltzmann equation for dense simple fluids The theories are developed in forms parallel with the equilibrium Gibbs ensemble theory in a way fully consistent with the laws of thermodynamics The generalised hydrodynamics equations are the integral part of the theory and describe the evolution of macroscopic processes in accordance with the laws of thermodynamics of systems far removed from equilibrium Audience This book will be of interest to researchers in the fields of statistical mechanics, condensed matter physics, gas dynamics, fluid dynamics, rheology, irreversible thermodynamics and nonequilibrium phenomena

  8. Limit order book and its modeling in terms of Gibbs Grand-Canonical Ensemble

    Science.gov (United States)

    Bicci, Alberto

    2016-12-01

    In the domain of so called Econophysics some attempts have been already made for applying the theory of thermodynamics and statistical mechanics to economics and financial markets. In this paper a similar approach is made from a different perspective, trying to model the limit order book and price formation process of a given stock by the Grand-Canonical Gibbs Ensemble for the bid and ask orders. The application of the Bose-Einstein statistics to this ensemble allows then to derive the distribution of the sell and buy orders as a function of price. As a consequence we can define in a meaningful way expressions for the temperatures of the ensembles of bid orders and of ask orders, which are a function of minimum bid, maximum ask and closure prices of the stock as well as of the exchanged volume of shares. It is demonstrated that the difference between the ask and bid orders temperatures can be related to the VAO (Volume Accumulation Oscillator), an indicator empirically defined in Technical Analysis of stock markets. Furthermore the derived distributions for aggregate bid and ask orders can be subject to well defined validations against real data, giving a falsifiable character to the model.

  9. Symmetric minimally entangled typical thermal states, grand-canonical ensembles, and the influence of the collapse bases

    Science.gov (United States)

    Binder, Moritz; Barthel, Thomas

    Based on DMRG, strongly correlated quantum many-body systems at finite temperatures can be simulated by sampling over a certain class of pure matrix product states (MPS) called minimally entangled typical thermal states (METTS). Here, we show how symmetries of the system can be exploited to considerably reduce computation costs in the METTS algorithm. While this is straightforward for the canonical ensemble, we introduce a modification of the algorithm to efficiently simulate the grand-canonical ensemble under utilization of symmetries. In addition, we construct novel symmetry-conserving collapse bases for the transitions in the Markov chain of METTS that improve the speed of convergence of the algorithm by reducing autocorrelations.

  10. On the calculation of single ion activity coefficients in homogeneous ionic systems by application of the grand canonical ensemble

    DEFF Research Database (Denmark)

    Sloth, Peter

    1993-01-01

    The grand canonical ensemble has been used to study the evaluation of single ion activity coefficients in homogeneous ionic fluids. In this work, the Coulombic interactions are truncated according to the minimum image approximation, and the ions are assumed to be placed in a structureless......, homogeneous dielectric continuum. Grand canonical ensemble Monte Carlo calculation results for two primitive model electrolyte solutions are presented. Also, a formula involving the second moments of the total correlation functions is derived from fluctuation theory, which applies for the derivatives...... of the individual ionic activity coefficients with respect to the total ionic concentration. This formula has previously been proposed on the basis of somewhat different considerations....

  11. Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory.

    Science.gov (United States)

    Hirakawa, Teruo; Suzuki, Teppei; Bowler, David R; Miyazaki, Tsuyoshi

    2017-10-11

    We discuss the development and implementation of a constant temperature (NVT) molecular dynamics scheme that combines the Nosé-Hoover chain thermostat with the extended Lagrangian Born-Oppenheimer molecular dynamics (BOMD) scheme, using a linear scaling density functional theory (DFT) approach. An integration scheme for this canonical-ensemble extended Lagrangian BOMD is developed and discussed in the context of the Liouville operator formulation. Linear scaling DFT canonical-ensemble extended Lagrangian BOMD simulations are tested on bulk silicon and silicon carbide systems to evaluate our integration scheme. The results show that the conserved quantity remains stable with no systematic drift even in the presence of the thermostat.

  12. Critical point of Nf=3 QCD from lattice simulations in the canonical ensemble

    International Nuclear Information System (INIS)

    Li Anyi; Alexandru, Andrei; Liu, Keh-Fei

    2011-01-01

    A canonical ensemble algorithm is employed to study the phase diagram of N f =3 QCD using lattice simulations. We lock in the desired quark number sector using an exact Fourier transform of the fermion determinant. We scan the phase space below T c and look for an S-shape structure in the chemical potential, which signals the coexistence phase of a first order phase transition in finite volume. Applying Maxwell construction, we determine the boundaries of the coexistence phase at three temperatures and extrapolate them to locate the critical point. Using an improved gauge action and improved Wilson fermions on lattices with a spatial extent of 1.8 fm and quark masses close to that of the strange, we find the critical point at T E =0.925(5)T c and baryon chemical potential μ B E =2.60(8)T c .

  13. Phase transition and thermodynamic geometry of f (R ) AdS black holes in the grand canonical ensemble

    Science.gov (United States)

    Li, Gu-Qiang; Mo, Jie-Xiong

    2016-06-01

    The phase transition of a four-dimensional charged AdS black hole solution in the R +f (R ) gravity with constant curvature is investigated in the grand canonical ensemble, where we find novel characteristics quite different from that in the canonical ensemble. There exists no critical point for T -S curve while in former research critical point was found for both the T -S curve and T -r+ curve when the electric charge of f (R ) black holes is kept fixed. Moreover, we derive the explicit expression for the specific heat, the analog of volume expansion coefficient and isothermal compressibility coefficient when the electric potential of f (R ) AdS black hole is fixed. The specific heat CΦ encounters a divergence when 0 b . This finding also differs from the result in the canonical ensemble, where there may be two, one or no divergence points for the specific heat CQ . To examine the phase structure newly found in the grand canonical ensemble, we appeal to the well-known thermodynamic geometry tools and derive the analytic expressions for both the Weinhold scalar curvature and Ruppeiner scalar curvature. It is shown that they diverge exactly where the specific heat CΦ diverges.

  14. Path planning in uncertain flow fields using ensemble method

    KAUST Repository

    Wang, Tong

    2016-08-20

    An ensemble-based approach is developed to conduct optimal path planning in unsteady ocean currents under uncertainty. We focus our attention on two-dimensional steady and unsteady uncertain flows, and adopt a sampling methodology that is well suited to operational forecasts, where an ensemble of deterministic predictions is used to model and quantify uncertainty. In an operational setting, much about dynamics, topography, and forcing of the ocean environment is uncertain. To address this uncertainty, the flow field is parametrized using a finite number of independent canonical random variables with known densities, and the ensemble is generated by sampling these variables. For each of the resulting realizations of the uncertain current field, we predict the path that minimizes the travel time by solving a boundary value problem (BVP), based on the Pontryagin maximum principle. A family of backward-in-time trajectories starting at the end position is used to generate suitable initial values for the BVP solver. This allows us to examine and analyze the performance of the sampling strategy and to develop insight into extensions dealing with general circulation ocean models. In particular, the ensemble method enables us to perform a statistical analysis of travel times and consequently develop a path planning approach that accounts for these statistics. The proposed methodology is tested for a number of scenarios. We first validate our algorithms by reproducing simple canonical solutions, and then demonstrate our approach in more complex flow fields, including idealized, steady and unsteady double-gyre flows.

  15. Ensemble methods for seasonal limited area forecasts

    DEFF Research Database (Denmark)

    Arritt, Raymond W.; Anderson, Christopher J.; Takle, Eugene S.

    2004-01-01

    The ensemble prediction methods used for seasonal limited area forecasts were examined by comparing methods for generating ensemble simulations of seasonal precipitation. The summer 1993 model over the north-central US was used as a test case. The four methods examined included the lagged-average...

  16. Canonical vs. micro-canonical sampling methods in a 2D Ising model

    International Nuclear Information System (INIS)

    Kepner, J.

    1990-12-01

    Canonical and micro-canonical Monte Carlo algorithms were implemented on a 2D Ising model. Expressions for the internal energy, U, inverse temperature, Z, and specific heat, C, are given. These quantities were calculated over a range of temperature, lattice sizes, and time steps. Both algorithms accurately simulate the Ising model. To obtain greater than three decimal accuracy from the micro-canonical method requires that the more complicated expression for Z be used. The overall difference between the algorithms is small. The physics of the problem under study should be the deciding factor in determining which algorithm to use. 13 refs., 6 figs., 2 tabs

  17. Thermodynamics of Born-Infeld-anti-de Sitter black holes in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Fernando, Sharmanthie

    2006-01-01

    The main objective of this paper is to study thermodynamics and stability of static electrically charged Born-Infeld black holes in AdS space in D=4. The Euclidean action for the grand canonical ensemble is computed with the appropriate boundary terms. The thermodynamical quantities such as the Gibbs free energy, entropy and specific heat of the black holes are derived from it. The global stability of black holes are studied in detail by studying the free energy for various potentials. For small values of the potential, we find that there is a Hawking-Page phase transition between a BIAdS black hole and the thermal-AdS space. For large potentials, the black hole phase is dominant and is preferred over the thermal-AdS space. Local stability is studied by computing the specific heat for constant potentials. The nonextreme black holes have two branches: small black holes are unstable and the large black holes are stable. The extreme black holes are shown to be stable both globally as well as locally. In addition to the thermodynamics, we also show that the phase structure relating the mass M and the charge Q of the black holes is similar to the liquid-gas-solid phase diagram

  18. Canonical methods in classical and quantum gravity: An invitation to canonical LQG

    Science.gov (United States)

    Reyes, Juan D.

    2018-04-01

    Loop Quantum Gravity (LQG) is a candidate quantum theory of gravity still under construction. LQG was originally conceived as a background independent canonical quantization of Einstein’s general relativity theory. This contribution provides some physical motivations and an overview of some mathematical tools employed in canonical Loop Quantum Gravity. First, Hamiltonian classical methods are reviewed from a geometric perspective. Canonical Dirac quantization of general gauge systems is sketched next. The Hamiltonian formultation of gravity in geometric ADM and connection-triad variables is then presented to finally lay down the canonical loop quantization program. The presentation is geared toward advanced undergradute or graduate students in physics and/or non-specialists curious about LQG.

  19. Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: Charge-bond resonance in monomethine cyanines

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, Seth, E-mail: seth.olsen@uq.edu.au [School of Mathematics and Physics, The University of Queensland, Brisbane QLD 4072 (Australia)

    2015-01-28

    This paper reviews basic results from a theory of the a priori classical probabilities (weights) in state-averaged complete active space self-consistent field (SA-CASSCF) models. It addresses how the classical probabilities limit the invariance of the self-consistency condition to transformations of the complete active space configuration interaction (CAS-CI) problem. Such transformations are of interest for choosing representations of the SA-CASSCF solution that are diabatic with respect to some interaction. I achieve the known result that a SA-CASSCF can be self-consistently transformed only within degenerate subspaces of the CAS-CI ensemble density matrix. For uniformly distributed (“microcanonical”) SA-CASSCF ensembles, self-consistency is invariant to any unitary CAS-CI transformation that acts locally on the ensemble support. Most SA-CASSCF applications in current literature are microcanonical. A problem with microcanonical SA-CASSCF models for problems with “more diabatic than adiabatic” states is described. The problem is that not all diabatic energies and couplings are self-consistently resolvable. A canonical-ensemble SA-CASSCF strategy is proposed to solve the problem. For canonical-ensemble SA-CASSCF, the equilibrated ensemble is a Boltzmann density matrix parametrized by its own CAS-CI Hamiltonian and a Lagrange multiplier acting as an inverse “temperature,” unrelated to the physical temperature. Like the convergence criterion for microcanonical-ensemble SA-CASSCF, the equilibration condition for canonical-ensemble SA-CASSCF is invariant to transformations that act locally on the ensemble CAS-CI density matrix. The advantage of a canonical-ensemble description is that more adiabatic states can be included in the support of the ensemble without running into convergence problems. The constraint on the dimensionality of the problem is relieved by the introduction of an energy constraint. The method is illustrated with a complete active space

  20. Canonical transformations method in the potential scattering problem

    International Nuclear Information System (INIS)

    Pavlenko, Yu.G.

    1984-01-01

    Canonical formalism of the first order is used in the present paper to solve the problem of scattering and other problems of quantum mechanics. The theory of canonical transformations (CT) being the basis of hamiltonian approach permits to develop several methods of integration being beyond the scope of the standard theory of perturbations. In this case it is essential for numerical counting that the theory permits to obtain algorithm for plotting highest approximations

  1. Ensemble Kalman methods for inverse problems

    International Nuclear Information System (INIS)

    Iglesias, Marco A; Law, Kody J H; Stuart, Andrew M

    2013-01-01

    The ensemble Kalman filter (EnKF) was introduced by Evensen in 1994 (Evensen 1994 J. Geophys. Res. 99 10143–62) as a novel method for data assimilation: state estimation for noisily observed time-dependent problems. Since that time it has had enormous impact in many application domains because of its robustness and ease of implementation, and numerical evidence of its accuracy. In this paper we propose the application of an iterative ensemble Kalman method for the solution of a wide class of inverse problems. In this context we show that the estimate of the unknown function that we obtain with the ensemble Kalman method lies in a subspace A spanned by the initial ensemble. Hence the resulting error may be bounded above by the error found from the best approximation in this subspace. We provide numerical experiments which compare the error incurred by the ensemble Kalman method for inverse problems with the error of the best approximation in A, and with variants on traditional least-squares approaches, restricted to the subspace A. In so doing we demonstrate that the ensemble Kalman method for inverse problems provides a derivative-free optimization method with comparable accuracy to that achieved by traditional least-squares approaches. Furthermore, we also demonstrate that the accuracy is of the same order of magnitude as that achieved by the best approximation. Three examples are used to demonstrate these assertions: inversion of a compact linear operator; inversion of piezometric head to determine hydraulic conductivity in a Darcy model of groundwater flow; and inversion of Eulerian velocity measurements at positive times to determine the initial condition in an incompressible fluid. (paper)

  2. Time delayed Ensemble Nudging Method

    Science.gov (United States)

    An, Zhe; Abarbanel, Henry

    Optimal nudging method based on time delayed embedding theory has shows potentials on analyzing and data assimilation in previous literatures. To extend the application and promote the practical implementation, new nudging assimilation method based on the time delayed embedding space is presented and the connection with other standard assimilation methods are studied. Results shows the incorporating information from the time series of data can reduce the sufficient observation needed to preserve the quality of numerical prediction, making it a potential alternative in the field of data assimilation of large geophysical models.

  3. Accelerating Monte Carlo molecular simulations by reweighting and reconstructing Markov chains: Extrapolation of canonical ensemble averages and second derivatives to different temperature and density conditions

    Energy Technology Data Exchange (ETDEWEB)

    Kadoura, Ahmad; Sun, Shuyu, E-mail: shuyu.sun@kaust.edu.sa; Salama, Amgad

    2014-08-01

    Accurate determination of thermodynamic properties of petroleum reservoir fluids is of great interest to many applications, especially in petroleum engineering and chemical engineering. Molecular simulation has many appealing features, especially its requirement of fewer tuned parameters but yet better predicting capability; however it is well known that molecular simulation is very CPU expensive, as compared to equation of state approaches. We have recently introduced an efficient thermodynamically consistent technique to regenerate rapidly Monte Carlo Markov Chains (MCMCs) at different thermodynamic conditions from the existing data points that have been pre-computed with expensive classical simulation. This technique can speed up the simulation more than a million times, making the regenerated molecular simulation almost as fast as equation of state approaches. In this paper, this technique is first briefly reviewed and then numerically investigated in its capability of predicting ensemble averages of primary quantities at different neighboring thermodynamic conditions to the original simulated MCMCs. Moreover, this extrapolation technique is extended to predict second derivative properties (e.g. heat capacity and fluid compressibility). The method works by reweighting and reconstructing generated MCMCs in canonical ensemble for Lennard-Jones particles. In this paper, system's potential energy, pressure, isochoric heat capacity and isothermal compressibility along isochors, isotherms and paths of changing temperature and density from the original simulated points were extrapolated. Finally, an optimized set of Lennard-Jones parameters (ε, σ) for single site models were proposed for methane, nitrogen and carbon monoxide.

  4. Accelerating Monte Carlo molecular simulations by reweighting and reconstructing Markov chains: Extrapolation of canonical ensemble averages and second derivatives to different temperature and density conditions

    KAUST Repository

    Kadoura, Ahmad Salim

    2014-08-01

    Accurate determination of thermodynamic properties of petroleum reservoir fluids is of great interest to many applications, especially in petroleum engineering and chemical engineering. Molecular simulation has many appealing features, especially its requirement of fewer tuned parameters but yet better predicting capability; however it is well known that molecular simulation is very CPU expensive, as compared to equation of state approaches. We have recently introduced an efficient thermodynamically consistent technique to regenerate rapidly Monte Carlo Markov Chains (MCMCs) at different thermodynamic conditions from the existing data points that have been pre-computed with expensive classical simulation. This technique can speed up the simulation more than a million times, making the regenerated molecular simulation almost as fast as equation of state approaches. In this paper, this technique is first briefly reviewed and then numerically investigated in its capability of predicting ensemble averages of primary quantities at different neighboring thermodynamic conditions to the original simulated MCMCs. Moreover, this extrapolation technique is extended to predict second derivative properties (e.g. heat capacity and fluid compressibility). The method works by reweighting and reconstructing generated MCMCs in canonical ensemble for Lennard-Jones particles. In this paper, system\\'s potential energy, pressure, isochoric heat capacity and isothermal compressibility along isochors, isotherms and paths of changing temperature and density from the original simulated points were extrapolated. Finally, an optimized set of Lennard-Jones parameters (ε, σ) for single site models were proposed for methane, nitrogen and carbon monoxide. © 2014 Elsevier Inc.

  5. Application of Canonical Effective Methods to Background-Independent Theories

    Science.gov (United States)

    Buyukcam, Umut

    Effective formalisms play an important role in analyzing phenomena above some given length scale when complete theories are not accessible. In diverse exotic but physically important cases, the usual path-integral techniques used in a standard Quantum Field Theory approach seldom serve as adequate tools. This thesis exposes a new effective method for quantum systems, called the Canonical Effective Method, which owns particularly wide applicability in backgroundindependent theories as in the case of gravitational phenomena. The central purpose of this work is to employ these techniques to obtain semi-classical dynamics from canonical quantum gravity theories. Application to non-associative quantum mechanics is developed and testable results are obtained. Types of non-associative algebras relevant for magnetic-monopole systems are discussed. Possible modifications of hypersurface deformation algebra and the emergence of effective space-times are presented. iii.

  6. Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Moucka, Filip [Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23221 (United States); Faculty of Science, J. E. Purkinje University, 400 96 Ústí nad Labem (Czech Republic); Bratko, Dusan, E-mail: dbratko@vcu.edu; Luzar, Alenka, E-mail: aluzar@vcu.edu [Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23221 (United States)

    2015-03-28

    Using a newly developed grand canonical Monte Carlo approach based on fractional exchanges of dissolved ions and water molecules, we studied equilibrium partitioning of both components between laterally extended apolar confinements and surrounding electrolyte solution. Accurate calculations of the Hamiltonian and tensorial pressure components at anisotropic conditions in the pore required the development of a novel algorithm for a self-consistent correction of nonelectrostatic cut-off effects. At pore widths above the kinetic threshold to capillary evaporation, the molality of the salt inside the confinement grows in parallel with that of the bulk phase, but presents a nonuniform width-dependence, being depleted at some and elevated at other separations. The presence of the salt enhances the layered structure in the slit and lengthens the range of inter-wall pressure exerted by the metastable liquid. Solvation pressure becomes increasingly repulsive with growing salt molality in the surrounding bath. Depending on the sign of the excess molality in the pore, the wetting free energy of pore walls is either increased or decreased by the presence of the salt. Because of simultaneous rise in the solution surface tension, which increases the free-energy cost of vapor nucleation, the rise in the apparent hydrophobicity of the walls has not been shown to enhance the volatility of the metastable liquid in the pores.

  7. Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation

    International Nuclear Information System (INIS)

    Moucka, Filip; Bratko, Dusan; Luzar, Alenka

    2015-01-01

    Using a newly developed grand canonical Monte Carlo approach based on fractional exchanges of dissolved ions and water molecules, we studied equilibrium partitioning of both components between laterally extended apolar confinements and surrounding electrolyte solution. Accurate calculations of the Hamiltonian and tensorial pressure components at anisotropic conditions in the pore required the development of a novel algorithm for a self-consistent correction of nonelectrostatic cut-off effects. At pore widths above the kinetic threshold to capillary evaporation, the molality of the salt inside the confinement grows in parallel with that of the bulk phase, but presents a nonuniform width-dependence, being depleted at some and elevated at other separations. The presence of the salt enhances the layered structure in the slit and lengthens the range of inter-wall pressure exerted by the metastable liquid. Solvation pressure becomes increasingly repulsive with growing salt molality in the surrounding bath. Depending on the sign of the excess molality in the pore, the wetting free energy of pore walls is either increased or decreased by the presence of the salt. Because of simultaneous rise in the solution surface tension, which increases the free-energy cost of vapor nucleation, the rise in the apparent hydrophobicity of the walls has not been shown to enhance the volatility of the metastable liquid in the pores

  8. Ensemble methods for handwritten digit recognition

    DEFF Research Database (Denmark)

    Hansen, Lars Kai; Liisberg, Christian; Salamon, P.

    1992-01-01

    Neural network ensembles are applied to handwritten digit recognition. The individual networks of the ensemble are combinations of sparse look-up tables (LUTs) with random receptive fields. It is shown that the consensus of a group of networks outperforms the best individual of the ensemble....... It is further shown that it is possible to estimate the ensemble performance as well as the learning curve on a medium-size database. In addition the authors present preliminary analysis of experiments on a large database and show that state-of-the-art performance can be obtained using the ensemble approach...... by optimizing the receptive fields. It is concluded that it is possible to improve performance significantly by introducing moderate-size ensembles; in particular, a 20-25% improvement has been found. The ensemble random LUTs, when trained on a medium-size database, reach a performance (without rejects) of 94...

  9. Global Optimization Ensemble Model for Classification Methods

    Science.gov (United States)

    Anwar, Hina; Qamar, Usman; Muzaffar Qureshi, Abdul Wahab

    2014-01-01

    Supervised learning is the process of data mining for deducing rules from training datasets. A broad array of supervised learning algorithms exists, every one of them with its own advantages and drawbacks. There are some basic issues that affect the accuracy of classifier while solving a supervised learning problem, like bias-variance tradeoff, dimensionality of input space, and noise in the input data space. All these problems affect the accuracy of classifier and are the reason that there is no global optimal method for classification. There is not any generalized improvement method that can increase the accuracy of any classifier while addressing all the problems stated above. This paper proposes a global optimization ensemble model for classification methods (GMC) that can improve the overall accuracy for supervised learning problems. The experimental results on various public datasets showed that the proposed model improved the accuracy of the classification models from 1% to 30% depending upon the algorithm complexity. PMID:24883382

  10. Global Optimization Ensemble Model for Classification Methods

    Directory of Open Access Journals (Sweden)

    Hina Anwar

    2014-01-01

    Full Text Available Supervised learning is the process of data mining for deducing rules from training datasets. A broad array of supervised learning algorithms exists, every one of them with its own advantages and drawbacks. There are some basic issues that affect the accuracy of classifier while solving a supervised learning problem, like bias-variance tradeoff, dimensionality of input space, and noise in the input data space. All these problems affect the accuracy of classifier and are the reason that there is no global optimal method for classification. There is not any generalized improvement method that can increase the accuracy of any classifier while addressing all the problems stated above. This paper proposes a global optimization ensemble model for classification methods (GMC that can improve the overall accuracy for supervised learning problems. The experimental results on various public datasets showed that the proposed model improved the accuracy of the classification models from 1% to 30% depending upon the algorithm complexity.

  11. Impacts of calibration strategies and ensemble methods on ensemble flood forecasting over Lanjiang basin, Southeast China

    Science.gov (United States)

    Liu, Li; Xu, Yue-Ping

    2017-04-01

    Ensemble flood forecasting driven by numerical weather prediction products is becoming more commonly used in operational flood forecasting applications.In this study, a hydrological ensemble flood forecasting system based on Variable Infiltration Capacity (VIC) model and quantitative precipitation forecasts from TIGGE dataset is constructed for Lanjiang Basin, Southeast China. The impacts of calibration strategies and ensemble methods on the performance of the system are then evaluated.The hydrological model is optimized by parallel programmed ɛ-NSGAII multi-objective algorithm and two respectively parameterized models are determined to simulate daily flows and peak flows coupled with a modular approach.The results indicatethat the ɛ-NSGAII algorithm permits more efficient optimization and rational determination on parameter setting.It is demonstrated that the multimodel ensemble streamflow mean have better skills than the best singlemodel ensemble mean (ECMWF) and the multimodel ensembles weighted on members and skill scores outperform other multimodel ensembles. For typical flood event, it is proved that the flood can be predicted 3-4 days in advance, but the flows in rising limb can be captured with only 1-2 days ahead due to the flash feature. With respect to peak flows selected by Peaks Over Threshold approach, the ensemble means from either singlemodel or multimodels are generally underestimated as the extreme values are smoothed out by ensemble process.

  12. A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics

    Science.gov (United States)

    Zhang, Zhijun; Liu, Xinzijian; Chen, Zifei; Zheng, Haifeng; Yan, Kangyu; Liu, Jian

    2017-07-01

    We show a unified second-order scheme for constructing simple, robust, and accurate algorithms for typical thermostats for configurational sampling for the canonical ensemble. When Langevin dynamics is used, the scheme leads to the BAOAB algorithm that has been recently investigated. We show that the scheme is also useful for other types of thermostats, such as the Andersen thermostat and Nosé-Hoover chain, regardless of whether the thermostat is deterministic or stochastic. In addition to analytical analysis, two 1-dimensional models and three typical real molecular systems that range from the gas phase, clusters, to the condensed phase are used in numerical examples for demonstration. Accuracy may be increased by an order of magnitude for estimating coordinate-dependent properties in molecular dynamics (when the same time interval is used), irrespective of which type of thermostat is applied. The scheme is especially useful for path integral molecular dynamics because it consistently improves the efficiency for evaluating all thermodynamic properties for any type of thermostat.

  13. Discrete linear canonical transform computation by adaptive method.

    Science.gov (United States)

    Zhang, Feng; Tao, Ran; Wang, Yue

    2013-07-29

    The linear canonical transform (LCT) describes the effect of quadratic phase systems on a wavefield and generalizes many optical transforms. In this paper, the computation method for the discrete LCT using the adaptive least-mean-square (LMS) algorithm is presented. The computation approaches of the block-based discrete LCT and the stream-based discrete LCT using the LMS algorithm are derived, and the implementation structures of these approaches by the adaptive filter system are considered. The proposed computation approaches have the inherent parallel structures which make them suitable for efficient VLSI implementations, and are robust to the propagation of possible errors in the computation process.

  14. Parametric potential determination by the canonical function method

    International Nuclear Information System (INIS)

    Tannous, C.; Fakhreddine, K.; Langlois, J.

    1999-01-01

    The canonical function method (CFM) is a powerful means for solving the radial Schroedinger equation (RSE). The mathematical difficulty of the RSE lies in the fact it is a singular boundary value problem. The CFM turns it into a regular initial value problem and allows the full determination of the spectrum of the Schroedinger operator without calculating the eigenfunctions. Following the parametrisation suggested by Klapisch and Green-Sellin-Zachor we develop a CFM to optimise the potential parameters in order to reproduce the experimental quantum defect results for various Rydberg series of He, Ne and Ar as evaluated from Moore's data. (orig.)

  15. The canonical and grand canonical models for nuclear ...

    Indian Academy of Sciences (India)

    Many observables seen in intermediate energy heavy-ion collisions can be explained on the basis of statistical equilibrium. Calculations based on statistical equilibrium can be implemented in microcanonical ensemble, canonical ensemble or grand canonical ensemble. This paper deals with calculations with canonical ...

  16. Ensemble Machine Learning Methods and Applications

    CERN Document Server

    Ma, Yunqian

    2012-01-01

    It is common wisdom that gathering a variety of views and inputs improves the process of decision making, and, indeed, underpins a democratic society. Dubbed “ensemble learning” by researchers in computational intelligence and machine learning, it is known to improve a decision system’s robustness and accuracy. Now, fresh developments are allowing researchers to unleash the power of ensemble learning in an increasing range of real-world applications. Ensemble learning algorithms such as “boosting” and “random forest” facilitate solutions to key computational issues such as face detection and are now being applied in areas as diverse as object trackingand bioinformatics.   Responding to a shortage of literature dedicated to the topic, this volume offers comprehensive coverage of state-of-the-art ensemble learning techniques, including various contributions from researchers in leading industrial research labs. At once a solid theoretical study and a practical guide, the volume is a windfall for r...

  17. Multivariate localization methods for ensemble Kalman filtering

    KAUST Repository

    Roh, S.; Jun, M.; Szunyogh, I.; Genton, Marc G.

    2015-01-01

    the Schur (element-wise) product of the ensemble-based sample covariance matrix and a correlation matrix whose entries are obtained by the discretization of a distance-dependent correlation function. While the proper definition of the localization function

  18. Ensemble/Variational Estimation (EnVE) and its application to canonical turbulent flow realizations

    Science.gov (United States)

    Colburn, Christopher; Cessna, Joseph; Bewley, Thomas

    2008-11-01

    The recently-developed hybrid EnVE method for data assimilation incorporates successive adjoint optimizations to update the initial conditions of a flow model, over various horizons of interest, in order to reconcile this model with recent measurements. Such adjoint optimizations typically require the trajectory to be saved over the entire interval over which the optimization is performed; in high-dimensional systems, this can lead to significant storage problems, which can be partially alleviated via checkpointing. In the EnVE framework, this requirement is eliminated, and supplanted by a requirement to march the state of the system backward in time simultaneously with the adjoint. If the system is derived from a PDE with a diffusive component, this backward-in-time state march is ill conditioned, and requires regularization/smoothing to prevent errors from accumulating rapidly at the small scales. The present talk focuses on this peculiar requirement of the EnVE algorithm. As the forecasting problem may itself be considered as a smoothing problem, it is, in fact, expected to find a ``smoothing'' ingredient at the heart of an algorithm of this sort. Various strategies are proposed and tested for accomplishing the required smoothing in the EnVE setting, and are tested on both a chaotic 1D PDE (the Kuramoto-Sivashinsky equation) as well as our in-house spectral 3D DNS/LES code, diablo.

  19. Multivariate localization methods for ensemble Kalman filtering

    OpenAIRE

    S. Roh; M. Jun; I. Szunyogh; M. G. Genton

    2015-01-01

    In ensemble Kalman filtering (EnKF), the small number of ensemble members that is feasible to use in a practical data assimilation application leads to sampling variability of the estimates of the background error covariances. The standard approach to reducing the effects of this sampling variability, which has also been found to be highly efficient in improving the performance of EnKF, is the localization of the estimates of the covariances. One family of ...

  20. A method for ensemble wildland fire simulation

    Science.gov (United States)

    Mark A. Finney; Isaac C. Grenfell; Charles W. McHugh; Robert C. Seli; Diane Trethewey; Richard D. Stratton; Stuart Brittain

    2011-01-01

    An ensemble simulation system that accounts for uncertainty in long-range weather conditions and two-dimensional wildland fire spread is described. Fuel moisture is expressed based on the energy release component, a US fire danger rating index, and its variation throughout the fire season is modeled using time series analysis of historical weather data. This analysis...

  1. Exact solution for the inhomogeneous Dicke model in the canonical ensemble: Thermodynamical limit and finite-size corrections

    Energy Technology Data Exchange (ETDEWEB)

    Pogosov, W.V., E-mail: walter.pogosov@gmail.com [N.L. Dukhov All-Russia Research Institute of Automatics, Moscow (Russian Federation); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny (Russian Federation); Shapiro, D.S. [N.L. Dukhov All-Russia Research Institute of Automatics, Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny (Russian Federation); V.A. Kotel' nikov Institute of Radio Engineering and Electronics, Russian Academy of Sciences, Moscow (Russian Federation); National University of Science and Technology MISIS, Moscow (Russian Federation); Bork, L.V. [N.L. Dukhov All-Russia Research Institute of Automatics, Moscow (Russian Federation); Institute for Theoretical and Experimental Physics, Moscow (Russian Federation); Onishchenko, A.I. [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, Dubna (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny (Russian Federation); Skobeltsyn Institute of Nuclear Physics, Moscow State University, Moscow (Russian Federation)

    2017-06-15

    We consider an exactly solvable inhomogeneous Dicke model which describes an interaction between a disordered ensemble of two-level systems with single mode boson field. The existing method for evaluation of Richardson–Gaudin equations in the thermodynamical limit is extended to the case of Bethe equations in Dicke model. Using this extension, we present expressions both for the ground state and lowest excited states energies as well as leading-order finite-size corrections to these quantities for an arbitrary distribution of individual spin energies. We then evaluate these quantities for an equally-spaced distribution (constant density of states). In particular, we study evolution of the spectral gap and other related quantities. We also reveal regions on the phase diagram, where finite-size corrections are of particular importance.

  2. An Efficient Ensemble Learning Method for Gene Microarray Classification

    Directory of Open Access Journals (Sweden)

    Alireza Osareh

    2013-01-01

    Full Text Available The gene microarray analysis and classification have demonstrated an effective way for the effective diagnosis of diseases and cancers. However, it has been also revealed that the basic classification techniques have intrinsic drawbacks in achieving accurate gene classification and cancer diagnosis. On the other hand, classifier ensembles have received increasing attention in various applications. Here, we address the gene classification issue using RotBoost ensemble methodology. This method is a combination of Rotation Forest and AdaBoost techniques which in turn preserve both desirable features of an ensemble architecture, that is, accuracy and diversity. To select a concise subset of informative genes, 5 different feature selection algorithms are considered. To assess the efficiency of the RotBoost, other nonensemble/ensemble techniques including Decision Trees, Support Vector Machines, Rotation Forest, AdaBoost, and Bagging are also deployed. Experimental results have revealed that the combination of the fast correlation-based feature selection method with ICA-based RotBoost ensemble is highly effective for gene classification. In fact, the proposed method can create ensemble classifiers which outperform not only the classifiers produced by the conventional machine learning but also the classifiers generated by two widely used conventional ensemble learning methods, that is, Bagging and AdaBoost.

  3. Explicit symplectic integrators of molecular dynamics algorithms for rigid-body molecules in the canonical, isobaric-isothermal, and related ensembles.

    Science.gov (United States)

    Okumura, Hisashi; Itoh, Satoru G; Okamoto, Yuko

    2007-02-28

    The authors propose explicit symplectic integrators of molecular dynamics (MD) algorithms for rigid-body molecules in the canonical and isobaric-isothermal ensembles. They also present a symplectic algorithm in the constant normal pressure and lateral surface area ensemble and that combined with the Parrinello-Rahman algorithm. Employing the symplectic integrators for MD algorithms, there is a conserved quantity which is close to Hamiltonian. Therefore, they can perform a MD simulation more stably than by conventional nonsymplectic algorithms. They applied this algorithm to a TIP3P pure water system at 300 K and compared the time evolution of the Hamiltonian with those by the nonsymplectic algorithms. They found that the Hamiltonian was conserved well by the symplectic algorithm even for a time step of 4 fs. This time step is longer than typical values of 0.5-2 fs which are used by the conventional nonsymplectic algorithms.

  4. Multivariate localization methods for ensemble Kalman filtering

    KAUST Repository

    Roh, S.

    2015-12-03

    In ensemble Kalman filtering (EnKF), the small number of ensemble members that is feasible to use in a practical data assimilation application leads to sampling variability of the estimates of the background error covariances. The standard approach to reducing the effects of this sampling variability, which has also been found to be highly efficient in improving the performance of EnKF, is the localization of the estimates of the covariances. One family of localization techniques is based on taking the Schur (element-wise) product of the ensemble-based sample covariance matrix and a correlation matrix whose entries are obtained by the discretization of a distance-dependent correlation function. While the proper definition of the localization function for a single state variable has been extensively investigated, a rigorous definition of the localization function for multiple state variables that exist at the same locations has been seldom considered. This paper introduces two strategies for the construction of localization functions for multiple state variables. The proposed localization functions are tested by assimilating simulated observations experiments into the bivariate Lorenz 95 model with their help.

  5. Multivariate localization methods for ensemble Kalman filtering

    KAUST Repository

    Roh, S.

    2015-05-08

    In ensemble Kalman filtering (EnKF), the small number of ensemble members that is feasible to use in a practical data assimilation application leads to sampling variability of the estimates of the background error covariances. The standard approach to reducing the effects of this sampling variability, which has also been found to be highly efficient in improving the performance of EnKF, is the localization of the estimates of the covariances. One family of localization techniques is based on taking the Schur (entry-wise) product of the ensemble-based sample covariance matrix and a correlation matrix whose entries are obtained by the discretization of a distance-dependent correlation function. While the proper definition of the localization function for a single state variable has been extensively investigated, a rigorous definition of the localization function for multiple state variables has been seldom considered. This paper introduces two strategies for the construction of localization functions for multiple state variables. The proposed localization functions are tested by assimilating simulated observations experiments into the bivariate Lorenz 95 model with their help.

  6. Multivariate localization methods for ensemble Kalman filtering

    Science.gov (United States)

    Roh, S.; Jun, M.; Szunyogh, I.; Genton, M. G.

    2015-12-01

    In ensemble Kalman filtering (EnKF), the small number of ensemble members that is feasible to use in a practical data assimilation application leads to sampling variability of the estimates of the background error covariances. The standard approach to reducing the effects of this sampling variability, which has also been found to be highly efficient in improving the performance of EnKF, is the localization of the estimates of the covariances. One family of localization techniques is based on taking the Schur (element-wise) product of the ensemble-based sample covariance matrix and a correlation matrix whose entries are obtained by the discretization of a distance-dependent correlation function. While the proper definition of the localization function for a single state variable has been extensively investigated, a rigorous definition of the localization function for multiple state variables that exist at the same locations has been seldom considered. This paper introduces two strategies for the construction of localization functions for multiple state variables. The proposed localization functions are tested by assimilating simulated observations experiments into the bivariate Lorenz 95 model with their help.

  7. Multivariate localization methods for ensemble Kalman filtering

    KAUST Repository

    Roh, S.; Jun, M.; Szunyogh, I.; Genton, Marc G.

    2015-01-01

    In ensemble Kalman filtering (EnKF), the small number of ensemble members that is feasible to use in a practical data assimilation application leads to sampling variability of the estimates of the background error covariances. The standard approach to reducing the effects of this sampling variability, which has also been found to be highly efficient in improving the performance of EnKF, is the localization of the estimates of the covariances. One family of localization techniques is based on taking the Schur (entry-wise) product of the ensemble-based sample covariance matrix and a correlation matrix whose entries are obtained by the discretization of a distance-dependent correlation function. While the proper definition of the localization function for a single state variable has been extensively investigated, a rigorous definition of the localization function for multiple state variables has been seldom considered. This paper introduces two strategies for the construction of localization functions for multiple state variables. The proposed localization functions are tested by assimilating simulated observations experiments into the bivariate Lorenz 95 model with their help.

  8. Time-optimal path planning in uncertain flow fields using ensemble method

    KAUST Repository

    Wang, Tong

    2016-01-06

    An ensemble-based approach is developed to conduct time-optimal path planning in unsteady ocean currents under uncertainty. We focus our attention on two-dimensional steady and unsteady uncertain flows, and adopt a sampling methodology that is well suited to operational forecasts, where a set deterministic predictions is used to model and quantify uncertainty in the predictions. In the operational setting, much about dynamics, topography and forcing of the ocean environment is uncertain, and as a result a single path produced by a model simulation has limited utility. To overcome this limitation, we rely on a finitesize ensemble of deterministic forecasts to quantify the impact of variability in the dynamics. The uncertainty of flow field is parametrized using a finite number of independent canonical random variables with known densities, and the ensemble is generated by sampling these variables. For each the resulting realizations of the uncertain current field, we predict the optimal path by solving a boundary value problem (BVP), based on the Pontryagin maximum principle. A family of backward-in-time trajectories starting at the end position is used to generate suitable initial values for the BVP solver. This allows us to examine and analyze the performance of sampling strategy, and develop insight into extensions dealing with regional or general circulation models. In particular, the ensemble method enables us to perform a statistical analysis of travel times, and consequently develop a path planning approach that accounts for these statistics. The proposed methodology is tested for a number of scenarios. We first validate our algorithms by reproducing simple canonical solutions, and then demonstrate our approach in more complex flow fields, including idealized, steady and unsteady double-gyre flows.

  9. Formulation of nonlinear chromaticity in circular accelerators by canonical perturbation method

    International Nuclear Information System (INIS)

    Takao, Masaru

    2005-01-01

    The formulation of nonlinear chromaticity in circular accelerators based on the canonical perturbation method is presented. Since the canonical perturbation method directly relates the tune shift to the perturbation Hamiltonian, it greatly simplifies the calculation of the nonlinear chromaticity. The obtained integral representation for nonlinear chromaticity can be systematically extended to higher orders

  10. Absence of high-temperature ballistic transport in the spin-1/2 XXX chain within the grand-canonical ensemble

    Science.gov (United States)

    Carmelo, J. M. P.; Prosen, T.

    2017-01-01

    Whether in the thermodynamic limit, vanishing magnetic field h → 0, and nonzero temperature the spin stiffness of the spin-1/2 XXX Heisenberg chain is finite or vanishes within the grand-canonical ensemble remains an unsolved and controversial issue, as different approaches yield contradictory results. Here we provide an upper bound on the stiffness and show that within that ensemble it vanishes for h → 0 in the thermodynamic limit of chain length L → ∞, at high temperatures T → ∞. Our approach uses a representation in terms of the L physical spins 1/2. For all configurations that generate the exact spin-S energy and momentum eigenstates such a configuration involves a number 2S of unpaired spins 1/2 in multiplet configurations and L - 2 S spins 1/2 that are paired within Msp = L / 2 - S spin-singlet pairs. The Bethe-ansatz strings of length n = 1 and n > 1 describe a single unbound spin-singlet pair and a configuration within which n pairs are bound, respectively. In the case of n > 1 pairs this holds both for ideal and deformed strings associated with n complex rapidities with the same real part. The use of such a spin 1/2 representation provides useful physical information on the problem under investigation in contrast to often less controllable numerical studies. Our results provide strong evidence for the absence of ballistic transport in the spin-1/2 XXX Heisenberg chain in the thermodynamic limit, for high temperatures T → ∞, vanishing magnetic field h → 0 and within the grand-canonical ensemble.

  11. Absence of high-temperature ballistic transport in the spin-1/2 XXX chain within the grand-canonical ensemble

    Directory of Open Access Journals (Sweden)

    J.M.P. Carmelo

    2017-01-01

    Full Text Available Whether in the thermodynamic limit, vanishing magnetic field h→0, and nonzero temperature the spin stiffness of the spin-1/2 XXX Heisenberg chain is finite or vanishes within the grand-canonical ensemble remains an unsolved and controversial issue, as different approaches yield contradictory results. Here we provide an upper bound on the stiffness and show that within that ensemble it vanishes for h→0 in the thermodynamic limit of chain length L→∞, at high temperatures T→∞. Our approach uses a representation in terms of the L physical spins 1/2. For all configurations that generate the exact spin-S energy and momentum eigenstates such a configuration involves a number 2S of unpaired spins 1/2 in multiplet configurations and L−2S spins 1/2 that are paired within Msp=L/2−S spin–singlet pairs. The Bethe-ansatz strings of length n=1 and n>1 describe a single unbound spin–singlet pair and a configuration within which n pairs are bound, respectively. In the case of n>1 pairs this holds both for ideal and deformed strings associated with n complex rapidities with the same real part. The use of such a spin 1/2 representation provides useful physical information on the problem under investigation in contrast to often less controllable numerical studies. Our results provide strong evidence for the absence of ballistic transport in the spin-1/2 XXX Heisenberg chain in the thermodynamic limit, for high temperatures T→∞, vanishing magnetic field h→0 and within the grand-canonical ensemble.

  12. Generalized ensemble method applied to study systems with strong first order transitions

    Science.gov (United States)

    Małolepsza, E.; Kim, J.; Keyes, T.

    2015-09-01

    At strong first-order phase transitions, the entropy versus energy or, at constant pressure, enthalpy, exhibits convex behavior, and the statistical temperature curve correspondingly exhibits an S-loop or back-bending. In the canonical and isothermal-isobaric ensembles, with temperature as the control variable, the probability density functions become bimodal with peaks localized outside of the S-loop region. Inside, states are unstable, and as a result simulation of equilibrium phase coexistence becomes impossible. To overcome this problem, a method was proposed by Kim, Keyes and Straub [1], where optimally designed generalized ensemble sampling was combined with replica exchange, and denoted generalized replica exchange method (gREM). This new technique uses parametrized effective sampling weights that lead to a unimodal energy distribution, transforming unstable states into stable ones. In the present study, the gREM, originally developed as a Monte Carlo algorithm, was implemented to work with molecular dynamics in an isobaric ensemble and coded into LAMMPS, a highly optimized open source molecular simulation package. The method is illustrated in a study of the very strong solid/liquid transition in water.

  13. Canonical Transform Method for Treating Strongly Anisotropy Magnets

    DEFF Research Database (Denmark)

    Cooke, J. F.; Lindgård, Per-Anker

    1977-01-01

    An infinite-order perturbation approach to the theory of magnetism in magnets with strong single-ion anisotropy is given. This approach is based on a canonical transformation of the system into one with a diagonal crystal field, an effective two-ion anisotropy, and reduced ground-state corrections....... A matrix-element matching procedure is used to obtain an explicit expression for the spin-wave energy to second order. The consequences of this theory are illustrated by an application to a simple example with planar anisotropy and an external magnetic field. A detailed comparison between the results...

  14. Tweet-based Target Market Classification Using Ensemble Method

    Directory of Open Access Journals (Sweden)

    Muhammad Adi Khairul Anshary

    2016-09-01

    Full Text Available Target market classification is aimed at focusing marketing activities on the right targets. Classification of target markets can be done through data mining and by utilizing data from social media, e.g. Twitter. The end result of data mining are learning models that can classify new data. Ensemble methods can improve the accuracy of the models and therefore provide better results. In this study, classification of target markets was conducted on a dataset of 3000 tweets in order to extract features. Classification models were constructed to manipulate the training data using two ensemble methods (bagging and boosting. To investigate the effectiveness of the ensemble methods, this study used the CART (classification and regression tree algorithm for comparison. Three categories of consumer goods (computers, mobile phones and cameras and three categories of sentiments (positive, negative and neutral were classified towards three target-market categories. Machine learning was performed using Weka 3.6.9. The results of the test data showed that the bagging method improved the accuracy of CART with 1.9% (to 85.20%. On the other hand, for sentiment classification, the ensemble methods were not successful in increasing the accuracy of CART. The results of this study may be taken into consideration by companies who approach their customers through social media, especially Twitter.

  15. Canonical Primal-Dual Method for Solving Non-convex Minimization Problems

    OpenAIRE

    Wu, Changzhi; Li, Chaojie; Gao, David Yang

    2012-01-01

    A new primal-dual algorithm is presented for solving a class of non-convex minimization problems. This algorithm is based on canonical duality theory such that the original non-convex minimization problem is first reformulated as a convex-concave saddle point optimization problem, which is then solved by a quadratically perturbed primal-dual method. %It is proved that the popular SDP method is indeed a special case of the canonical duality theory. Numerical examples are illustrated. Comparing...

  16. EnsembleGASVR: A novel ensemble method for classifying missense single nucleotide polymorphisms

    KAUST Repository

    Rapakoulia, Trisevgeni; Theofilatos, Konstantinos A.; Kleftogiannis, Dimitrios A.; Likothanasis, Spiridon D.; Tsakalidis, Athanasios K.; Mavroudi, Seferina P.

    2014-01-01

    do not support their predictions with confidence scores. Results: To overcome these limitations, a novel ensemble computational methodology is proposed. EnsembleGASVR facilitates a twostep algorithm, which in its first step applies a novel

  17. A multidimensional pseudospectral method for optimal control of quantum ensembles

    International Nuclear Information System (INIS)

    Ruths, Justin; Li, Jr-Shin

    2011-01-01

    In our previous work, we have shown that the pseudospectral method is an effective and flexible computation scheme for deriving pulses for optimal control of quantum systems. In practice, however, quantum systems often exhibit variation in the parameters that characterize the system dynamics. This leads us to consider the control of an ensemble (or continuum) of quantum systems indexed by the system parameters that show variation. We cast the design of pulses as an optimal ensemble control problem and demonstrate a multidimensional pseudospectral method with several challenging examples of both closed and open quantum systems from nuclear magnetic resonance spectroscopy in liquid. We give particular attention to the ability to derive experimentally viable pulses of minimum energy or duration.

  18. EnsembleGASVR: A novel ensemble method for classifying missense single nucleotide polymorphisms

    KAUST Repository

    Rapakoulia, Trisevgeni

    2014-04-26

    Motivation: Single nucleotide polymorphisms (SNPs) are considered the most frequently occurring DNA sequence variations. Several computational methods have been proposed for the classification of missense SNPs to neutral and disease associated. However, existing computational approaches fail to select relevant features by choosing them arbitrarily without sufficient documentation. Moreover, they are limited to the problem ofmissing values, imbalance between the learning datasets and most of them do not support their predictions with confidence scores. Results: To overcome these limitations, a novel ensemble computational methodology is proposed. EnsembleGASVR facilitates a twostep algorithm, which in its first step applies a novel evolutionary embedded algorithm to locate close to optimal Support Vector Regression models. In its second step, these models are combined to extract a universal predictor, which is less prone to overfitting issues, systematizes the rebalancing of the learning sets and uses an internal approach for solving the missing values problem without loss of information. Confidence scores support all the predictions and the model becomes tunable by modifying the classification thresholds. An extensive study was performed for collecting the most relevant features for the problem of classifying SNPs, and a superset of 88 features was constructed. Experimental results show that the proposed framework outperforms well-known algorithms in terms of classification performance in the examined datasets. Finally, the proposed algorithmic framework was able to uncover the significant role of certain features such as the solvent accessibility feature, and the top-scored predictions were further validated by linking them with disease phenotypes. © The Author 2014.

  19. Evaluation of medium-range ensemble flood forecasting based on calibration strategies and ensemble methods in Lanjiang Basin, Southeast China

    Science.gov (United States)

    Liu, Li; Gao, Chao; Xuan, Weidong; Xu, Yue-Ping

    2017-11-01

    Ensemble flood forecasts by hydrological models using numerical weather prediction products as forcing data are becoming more commonly used in operational flood forecasting applications. In this study, a hydrological ensemble flood forecasting system comprised of an automatically calibrated Variable Infiltration Capacity model and quantitative precipitation forecasts from TIGGE dataset is constructed for Lanjiang Basin, Southeast China. The impacts of calibration strategies and ensemble methods on the performance of the system are then evaluated. The hydrological model is optimized by the parallel programmed ε-NSGA II multi-objective algorithm. According to the solutions by ε-NSGA II, two differently parameterized models are determined to simulate daily flows and peak flows at each of the three hydrological stations. Then a simple yet effective modular approach is proposed to combine these daily and peak flows at the same station into one composite series. Five ensemble methods and various evaluation metrics are adopted. The results show that ε-NSGA II can provide an objective determination on parameter estimation, and the parallel program permits a more efficient simulation. It is also demonstrated that the forecasts from ECMWF have more favorable skill scores than other Ensemble Prediction Systems. The multimodel ensembles have advantages over all the single model ensembles and the multimodel methods weighted on members and skill scores outperform other methods. Furthermore, the overall performance at three stations can be satisfactory up to ten days, however the hydrological errors can degrade the skill score by approximately 2 days, and the influence persists until a lead time of 10 days with a weakening trend. With respect to peak flows selected by the Peaks Over Threshold approach, the ensemble means from single models or multimodels are generally underestimated, indicating that the ensemble mean can bring overall improvement in forecasting of flows. For

  20. River Flow Prediction Using the Nearest Neighbor Probabilistic Ensemble Method

    Directory of Open Access Journals (Sweden)

    H. Sanikhani

    2016-02-01

    Full Text Available Introduction: In the recent years, researchers interested on probabilistic forecasting of hydrologic variables such river flow.A probabilistic approach aims at quantifying the prediction reliability through a probability distribution function or a prediction interval for the unknown future value. The evaluation of the uncertainty associated to the forecast is seen as a fundamental information, not only to correctly assess the prediction, but also to compare forecasts from different methods and to evaluate actions and decisions conditionally on the expected values. Several probabilistic approaches have been proposed in the literature, including (1 methods that use resampling techniques to assess parameter and model uncertainty, such as the Metropolis algorithm or the Generalized Likelihood Uncertainty Estimation (GLUE methodology for an application to runoff prediction, (2 methods based on processing the forecast errors of past data to produce the probability distributions of future values and (3 methods that evaluate how the uncertainty propagates from the rainfall forecast to the river discharge prediction, as the Bayesian forecasting system. Materials and Methods: In this study, two different probabilistic methods are used for river flow prediction.Then the uncertainty related to the forecast is quantified. One approach is based on linear predictors and in the other, nearest neighbor was used. The nonlinear probabilistic ensemble can be used for nonlinear time series analysis using locally linear predictors, while NNPE utilize a method adapted for one step ahead nearest neighbor methods. In this regard, daily river discharge (twelve years of Dizaj and Mashin Stations on Baranduz-Chay basin in west Azerbijan and Zard-River basin in Khouzestan provinces were used, respectively. The first six years of data was applied for fitting the model. The next three years was used to calibration and the remained three yeas utilized for testing the models

  1. Ensemble Methods in Data Mining Improving Accuracy Through Combining Predictions

    CERN Document Server

    Seni, Giovanni

    2010-01-01

    This book is aimed at novice and advanced analytic researchers and practitioners -- especially in Engineering, Statistics, and Computer Science. Those with little exposure to ensembles will learn why and how to employ this breakthrough method, and advanced practitioners will gain insight into building even more powerful models. Throughout, snippets of code in R are provided to illustrate the algorithms described and to encourage the reader to try the techniques. The authors are industry experts in data mining and machine learning who are also adjunct professors and popular speakers. Although e

  2. Stock price estimation using ensemble Kalman Filter square root method

    Science.gov (United States)

    Karya, D. F.; Katias, P.; Herlambang, T.

    2018-04-01

    Shares are securities as the possession or equity evidence of an individual or corporation over an enterprise, especially public companies whose activity is stock trading. Investment in stocks trading is most likely to be the option of investors as stocks trading offers attractive profits. In determining a choice of safe investment in the stocks, the investors require a way of assessing the stock prices to buy so as to help optimize their profits. An effective method of analysis which will reduce the risk the investors may bear is by predicting or estimating the stock price. Estimation is carried out as a problem sometimes can be solved by using previous information or data related or relevant to the problem. The contribution of this paper is that the estimates of stock prices in high, low, and close categorycan be utilized as investors’ consideration for decision making in investment. In this paper, stock price estimation was made by using the Ensemble Kalman Filter Square Root method (EnKF-SR) and Ensemble Kalman Filter method (EnKF). The simulation results showed that the resulted estimation by applying EnKF method was more accurate than that by the EnKF-SR, with an estimation error of about 0.2 % by EnKF and an estimation error of 2.6 % by EnKF-SR.

  3. Improving the ensemble optimization method through covariance matrix adaptation (CMA-EnOpt)

    NARCIS (Netherlands)

    Fonseca, R.M.; Leeuwenburgh, O.; Hof, P.M.J. van den; Jansen, J.D.

    2013-01-01

    Ensemble Optimization (EnOpt) is a rapidly emerging method for reservoir model based production optimization. EnOpt uses an ensemble of controls to approximate the gradient of the objective function with respect to the controls. Current implementations of EnOpt use a Gaussian ensemble with a

  4. A new general method for transform canonically a Hamiltonian in another one of a given form

    International Nuclear Information System (INIS)

    Gomez T, A.

    2002-01-01

    The more general method to perform a canonical transformation of a Hamiltonian into another one of a given form is based on the repeated use of the Hamilton-Jacobi equation. This is usually a tedious technique which leads to some particular solutions of the problem. We present a new general method which does not rely on the Hamilton-Jacobi equation and moreover it gives all the possible solutions. (Author)

  5. Structured sparse canonical correlation analysis for brain imaging genetics: an improved GraphNet method.

    Science.gov (United States)

    Du, Lei; Huang, Heng; Yan, Jingwen; Kim, Sungeun; Risacher, Shannon L; Inlow, Mark; Moore, Jason H; Saykin, Andrew J; Shen, Li

    2016-05-15

    Structured sparse canonical correlation analysis (SCCA) models have been used to identify imaging genetic associations. These models either use group lasso or graph-guided fused lasso to conduct feature selection and feature grouping simultaneously. The group lasso based methods require prior knowledge to define the groups, which limits the capability when prior knowledge is incomplete or unavailable. The graph-guided methods overcome this drawback by using the sample correlation to define the constraint. However, they are sensitive to the sign of the sample correlation, which could introduce undesirable bias if the sign is wrongly estimated. We introduce a novel SCCA model with a new penalty, and develop an efficient optimization algorithm. Our method has a strong upper bound for the grouping effect for both positively and negatively correlated features. We show that our method performs better than or equally to three competing SCCA models on both synthetic and real data. In particular, our method identifies stronger canonical correlations and better canonical loading patterns, showing its promise for revealing interesting imaging genetic associations. The Matlab code and sample data are freely available at http://www.iu.edu/∼shenlab/tools/angscca/ shenli@iu.edu 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.

  6. A Potential Reduction Method for Canonical Duality, with an Application to the Sensor Network Localization Problem

    OpenAIRE

    Latorre, Vittorio

    2014-01-01

    We propose to solve large instances of the non-convex optimization problems reformulated with canonical duality theory. To this aim we propose an interior point potential reduction algorithm based on the solution of the primal-dual total complementarity (Lagrange) function. We establish the global convergence result for the algorithm under mild assumptions and demonstrate the method on instances of the Sensor Network Localization problem. Our numerical results are promising and show the possi...

  7. On the use of transition matrix methods with extended ensembles.

    Science.gov (United States)

    Escobedo, Fernando A; Abreu, Charlles R A

    2006-03-14

    Different extended ensemble schemes for non-Boltzmann sampling (NBS) of a selected reaction coordinate lambda were formulated so that they employ (i) "variable" sampling window schemes (that include the "successive umbrella sampling" method) to comprehensibly explore the lambda domain and (ii) transition matrix methods to iteratively obtain the underlying free-energy eta landscape (or "importance" weights) associated with lambda. The connection between "acceptance ratio" and transition matrix methods was first established to form the basis of the approach for estimating eta(lambda). The validity and performance of the different NBS schemes were then assessed using as lambda coordinate the configurational energy of the Lennard-Jones fluid. For the cases studied, it was found that the convergence rate in the estimation of eta is little affected by the use of data from high-order transitions, while it is noticeably improved by the use of a broader window of sampling in the variable window methods. Finally, it is shown how an "elastic" window of sampling can be used to effectively enact (nonuniform) preferential sampling over the lambda domain, and how to stitch the weights from separate one-dimensional NBS runs to produce a eta surface over a two-dimensional domain.

  8. Canonical integration and analysis of periodic maps using non-standard analysis and life methods

    Energy Technology Data Exchange (ETDEWEB)

    Forest, E.; Berz, M.

    1988-06-01

    We describe a method and a way of thinking which is ideally suited for the study of systems represented by canonical integrators. Starting with the continuous description provided by the Hamiltonians, we replace it by a succession of preferably canonical maps. The power series representation of these maps can be extracted with a computer implementation of the tools of Non-Standard Analysis and analyzed by the same tools. For a nearly integrable system, we can define a Floquet ring in a way consistent with our needs. Using the finite time maps, the Floquet ring is defined only at the locations s/sub i/ where one perturbs or observes the phase space. At most the total number of locations is equal to the total number of steps of our integrator. We can also produce pseudo-Hamiltonians which describe the motion induced by these maps. 15 refs., 1 fig.

  9. Microcanonical ensemble and algebra of conserved generators for generalized quantum dynamics

    International Nuclear Information System (INIS)

    Adler, S.L.; Horwitz, L.P.

    1996-01-01

    It has recently been shown, by application of statistical mechanical methods to determine the canonical ensemble governing the equilibrium distribution of operator initial values, that complex quantum field theory can emerge as a statistical approximation to an underlying generalized quantum dynamics. This result was obtained by an argument based on a Ward identity analogous to the equipartition theorem of classical statistical mechanics. We construct here a microcanonical ensemble which forms the basis of this canonical ensemble. This construction enables us to define the microcanonical entropy and free energy of the field configuration of the equilibrium distribution and to study the stability of the canonical ensemble. We also study the algebraic structure of the conserved generators from which the microcanonical and canonical ensembles are constructed, and the flows they induce on the phase space. copyright 1996 American Institute of Physics

  10. Device and Method for Gathering Ensemble Data Sets

    Science.gov (United States)

    Racette, Paul E. (Inventor)

    2014-01-01

    An ensemble detector uses calibrated noise references to produce ensemble sets of data from which properties of non-stationary processes may be extracted. The ensemble detector comprising: a receiver; a switching device coupled to the receiver, the switching device configured to selectively connect each of a plurality of reference noise signals to the receiver; and a gain modulation circuit coupled to the receiver and configured to vary a gain of the receiver based on a forcing signal; whereby the switching device selectively connects each of the plurality of reference noise signals to the receiver to produce an output signal derived from the plurality of reference noise signals and the forcing signal.

  11. A New Method for Determining Structure Ensemble: Application to a RNA Binding Di-Domain Protein.

    Science.gov (United States)

    Liu, Wei; Zhang, Jingfeng; Fan, Jing-Song; Tria, Giancarlo; Grüber, Gerhard; Yang, Daiwen

    2016-05-10

    Structure ensemble determination is the basis of understanding the structure-function relationship of a multidomain protein with weak domain-domain interactions. Paramagnetic relaxation enhancement has been proven a powerful tool in the study of structure ensembles, but there exist a number of challenges such as spin-label flexibility, domain dynamics, and overfitting. Here we propose a new (to our knowledge) method to describe structure ensembles using a minimal number of conformers. In this method, individual domains are considered rigid; the position of each spin-label conformer and the structure of each protein conformer are defined by three and six orthogonal parameters, respectively. First, the spin-label ensemble is determined by optimizing the positions and populations of spin-label conformers against intradomain paramagnetic relaxation enhancements with a genetic algorithm. Subsequently, the protein structure ensemble is optimized using a more efficient genetic algorithm-based approach and an overfitting indicator, both of which were established in this work. The method was validated using a reference ensemble with a set of conformers whose populations and structures are known. This method was also applied to study the structure ensemble of the tandem di-domain of a poly (U) binding protein. The determined ensemble was supported by small-angle x-ray scattering and nuclear magnetic resonance relaxation data. The ensemble obtained suggests an induced fit mechanism for recognition of target RNA by the protein. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  12. Sparse canonical methods for biological data integration: application to a cross-platform study

    Directory of Open Access Journals (Sweden)

    Robert-Granié Christèle

    2009-01-01

    Full Text Available Abstract Background In the context of systems biology, few sparse approaches have been proposed so far to integrate several data sets. It is however an important and fundamental issue that will be widely encountered in post genomic studies, when simultaneously analyzing transcriptomics, proteomics and metabolomics data using different platforms, so as to understand the mutual interactions between the different data sets. In this high dimensional setting, variable selection is crucial to give interpretable results. We focus on a sparse Partial Least Squares approach (sPLS to handle two-block data sets, where the relationship between the two types of variables is known to be symmetric. Sparse PLS has been developed either for a regression or a canonical correlation framework and includes a built-in procedure to select variables while integrating data. To illustrate the canonical mode approach, we analyzed the NCI60 data sets, where two different platforms (cDNA and Affymetrix chips were used to study the transcriptome of sixty cancer cell lines. Results We compare the results obtained with two other sparse or related canonical correlation approaches: CCA with Elastic Net penalization (CCA-EN and Co-Inertia Analysis (CIA. The latter does not include a built-in procedure for variable selection and requires a two-step analysis. We stress the lack of statistical criteria to evaluate canonical correlation methods, which makes biological interpretation absolutely necessary to compare the different gene selections. We also propose comprehensive graphical representations of both samples and variables to facilitate the interpretation of the results. Conclusion sPLS and CCA-EN selected highly relevant genes and complementary findings from the two data sets, which enabled a detailed understanding of the molecular characteristics of several groups of cell lines. These two approaches were found to bring similar results, although they highlighted the same

  13. ENSEMBLE methods to reconcile disparate national long range dispersion forecasts

    OpenAIRE

    Mikkelsen, Torben; Galmarini, S.; Bianconi, R.; French, S.

    2003-01-01

    ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparatenational forecasts for long-range dispersion. ENSEMBLE addresses the problem of achieving a common coherent strategy across European national emergency management when national long-range dispersion forecasts differ from one another during an a...

  14. First-order systems of linear partial differential equations: normal forms, canonical systems, transform methods

    Directory of Open Access Journals (Sweden)

    Heinz Toparkus

    2014-04-01

    Full Text Available In this paper we consider first-order systems with constant coefficients for two real-valued functions of two real variables. This is both a problem in itself, as well as an alternative view of the classical linear partial differential equations of second order with constant coefficients. The classification of the systems is done using elementary methods of linear algebra. Each type presents its special canonical form in the associated characteristic coordinate system. Then you can formulate initial value problems in appropriate basic areas, and you can try to achieve a solution of these problems by means of transform methods.

  15. Initialization methods and ensembles generation for the IPSL GCM

    Science.gov (United States)

    Labetoulle, Sonia; Mignot, Juliette; Guilyardi, Eric; Denvil, Sébastien; Masson, Sébastien

    2010-05-01

    The protocol used and developments made for decadal and seasonal predictability studies at IPSL (Paris, France) are presented. The strategy chosen is to initialize the IPSL-CM5 (NEMO ocean and LMDZ atmosphere) model only at the ocean-atmosphere interface, following the guidance and expertise gained from ocean-only NEMO experiments. Two novel approaches are presented for initializing the coupled system. First, a nudging of sea surface temperature and wind stress towards available reanalysis is made with the surface salinity climatologically restored. Second, the heat, salt and momentum fluxes received by the ocean model are computed as a linear combination of the fluxes computed by the atmospheric model and by a CORE-style bulk formulation using up-to-date reanalysis. The steps that led to these choices are presented, as well as a description of the code adaptation and a comparison of the computational cost of both methods. The strategy for the generation of ensembles at the end of the initialization phase is also presented. We show how the technical environment of IPSL-CM5 (LibIGCM) was modified to achieve these goals.

  16. Optimized Audio Classification and Segmentation Algorithm by Using Ensemble Methods

    Directory of Open Access Journals (Sweden)

    Saadia Zahid

    2015-01-01

    Full Text Available Audio segmentation is a basis for multimedia content analysis which is the most important and widely used application nowadays. An optimized audio classification and segmentation algorithm is presented in this paper that segments a superimposed audio stream on the basis of its content into four main audio types: pure-speech, music, environment sound, and silence. An algorithm is proposed that preserves important audio content and reduces the misclassification rate without using large amount of training data, which handles noise and is suitable for use for real-time applications. Noise in an audio stream is segmented out as environment sound. A hybrid classification approach is used, bagged support vector machines (SVMs with artificial neural networks (ANNs. Audio stream is classified, firstly, into speech and nonspeech segment by using bagged support vector machines; nonspeech segment is further classified into music and environment sound by using artificial neural networks and lastly, speech segment is classified into silence and pure-speech segments on the basis of rule-based classifier. Minimum data is used for training classifier; ensemble methods are used for minimizing misclassification rate and approximately 98% accurate segments are obtained. A fast and efficient algorithm is designed that can be used with real-time multimedia applications.

  17. Data-driven fault detection for industrial processes canonical correlation analysis and projection based methods

    CERN Document Server

    Chen, Zhiwen

    2017-01-01

    Zhiwen Chen aims to develop advanced fault detection (FD) methods for the monitoring of industrial processes. With the ever increasing demands on reliability and safety in industrial processes, fault detection has become an important issue. Although the model-based fault detection theory has been well studied in the past decades, its applications are limited to large-scale industrial processes because it is difficult to build accurate models. Furthermore, motivated by the limitations of existing data-driven FD methods, novel canonical correlation analysis (CCA) and projection-based methods are proposed from the perspectives of process input and output data, less engineering effort and wide application scope. For performance evaluation of FD methods, a new index is also developed. Contents A New Index for Performance Evaluation of FD Methods CCA-based FD Method for the Monitoring of Stationary Processes Projection-based FD Method for the Monitoring of Dynamic Processes Benchmark Study and Real-Time Implementat...

  18. Skill forecasting from different wind power ensemble prediction methods

    International Nuclear Information System (INIS)

    Pinson, Pierre; Nielsen, Henrik A; Madsen, Henrik; Kariniotakis, George

    2007-01-01

    This paper presents an investigation on alternative approaches to the providing of uncertainty estimates associated to point predictions of wind generation. Focus is given to skill forecasts in the form of prediction risk indices, aiming at giving a comprehensive signal on the expected level of forecast uncertainty. Ensemble predictions of wind generation are used as input. A proposal for the definition of prediction risk indices is given. Such skill forecasts are based on the dispersion of ensemble members for a single prediction horizon, or over a set of successive look-ahead times. It is shown on the test case of a Danish offshore wind farm how prediction risk indices may be related to several levels of forecast uncertainty (and energy imbalances). Wind power ensemble predictions are derived from the transformation of ECMWF and NCEP ensembles of meteorological variables to power, as well as by a lagged average approach alternative. The ability of risk indices calculated from the various types of ensembles forecasts to resolve among situations with different levels of uncertainty is discussed

  19. Canonical partition functions: ideal quantum gases, interacting classical gases, and interacting quantum gases

    Science.gov (United States)

    Zhou, Chi-Chun; Dai, Wu-Sheng

    2018-02-01

    In statistical mechanics, for a system with a fixed number of particles, e.g. a finite-size system, strictly speaking, the thermodynamic quantity needs to be calculated in the canonical ensemble. Nevertheless, the calculation of the canonical partition function is difficult. In this paper, based on the mathematical theory of the symmetric function, we suggest a method for the calculation of the canonical partition function of ideal quantum gases, including ideal Bose, Fermi, and Gentile gases. Moreover, we express the canonical partition functions of interacting classical and quantum gases given by the classical and quantum cluster expansion methods in terms of the Bell polynomial in mathematics. The virial coefficients of ideal Bose, Fermi, and Gentile gases are calculated from the exact canonical partition function. The virial coefficients of interacting classical and quantum gases are calculated from the canonical partition function by using the expansion of the Bell polynomial, rather than calculated from the grand canonical potential.

  20. Improving the ensemble-optimization method through covariance-matrix adaptation

    NARCIS (Netherlands)

    Fonseca, R.M.; Leeuwenburgh, O.; Hof, P.M.J. van den; Jansen, J.D.

    2015-01-01

    Ensemble optimization (referred to throughout the remainder of the paper as EnOpt) is a rapidly emerging method for reservoirmodel-based production optimization. EnOpt uses an ensemble of controls to approximate the gradient of the objective function with respect to the controls. Current

  1. A canonical perturbation method for computing the guiding-center motion in magnetized axisymmetric plasma columns

    International Nuclear Information System (INIS)

    Gratreau, P.

    1987-01-01

    The motion of charged particles in a magnetized plasma column, such as that of a magnetic mirror trap or a tokamak, is determined in the framework of the canonical perturbation theory through a method of variation of constants which preserves the energy conservation and the symmetry invariance. The choice of a frame of coordinates close to that of the magnetic coordinates allows a relatively precise determination of the guiding-center motion with a low-ordered approximation in the adiabatic parameter. A Hamiltonian formulation of the motion equations is obtained

  2. Methods of Weyl representation of the phase space and canonical transformations

    International Nuclear Information System (INIS)

    Budanov, V.G.

    1986-01-01

    The author studies nonlinear canonical transformations realized in the space of Weyl symbols of quantum operators. The kernels of the transformations, the symbol of the intertwining operator of the group of inhomogeneous point transformations, an the group characters are constructed. The group of PL transformations, which is the free produce of the group of point, p, and linear, L, transformations is considered. The simplest PL complexes relating problems with different potentials, in particular, containing a general Darboux transformation of the factorization method, are constructed. The kernel of an arbitrary element of the group PL is found

  3. Multilevel Monte Carlo methods using ensemble level mixed MsFEM for two-phase flow and transport simulations

    KAUST Repository

    Efendiev, Yalchin R.; Iliev, Oleg; Kronsbein, C.

    2013-01-01

    In this paper, we propose multilevel Monte Carlo (MLMC) methods that use ensemble level mixed multiscale methods in the simulations of multiphase flow and transport. The contribution of this paper is twofold: (1) a design of ensemble level mixed

  4. Polyphony: superposition independent methods for ensemble-based drug discovery.

    Science.gov (United States)

    Pitt, William R; Montalvão, Rinaldo W; Blundell, Tom L

    2014-09-30

    Structure-based drug design is an iterative process, following cycles of structural biology, computer-aided design, synthetic chemistry and bioassay. In favorable circumstances, this process can lead to the structures of hundreds of protein-ligand crystal structures. In addition, molecular dynamics simulations are increasingly being used to further explore the conformational landscape of these complexes. Currently, methods capable of the analysis of ensembles of crystal structures and MD trajectories are limited and usually rely upon least squares superposition of coordinates. Novel methodologies are described for the analysis of multiple structures of a protein. Statistical approaches that rely upon residue equivalence, but not superposition, are developed. Tasks that can be performed include the identification of hinge regions, allosteric conformational changes and transient binding sites. The approaches are tested on crystal structures of CDK2 and other CMGC protein kinases and a simulation of p38α. Known interaction - conformational change relationships are highlighted but also new ones are revealed. A transient but druggable allosteric pocket in CDK2 is predicted to occur under the CMGC insert. Furthermore, an evolutionarily-conserved conformational link from the location of this pocket, via the αEF-αF loop, to phosphorylation sites on the activation loop is discovered. New methodologies are described and validated for the superimposition independent conformational analysis of large collections of structures or simulation snapshots of the same protein. The methodologies are encoded in a Python package called Polyphony, which is released as open source to accompany this paper [http://wrpitt.bitbucket.org/polyphony/].

  5. Development of a regional ensemble prediction method for probabilistic weather prediction

    International Nuclear Information System (INIS)

    Nohara, Daisuke; Tamura, Hidetoshi; Hirakuchi, Hiromaru

    2015-01-01

    A regional ensemble prediction method has been developed to provide probabilistic weather prediction using a numerical weather prediction model. To obtain consistent perturbations with the synoptic weather pattern, both of initial and lateral boundary perturbations were given by differences between control and ensemble member of the Japan Meteorological Agency (JMA)'s operational one-week ensemble forecast. The method provides a multiple ensemble member with a horizontal resolution of 15 km for 48-hour based on a downscaling of the JMA's operational global forecast accompanied with the perturbations. The ensemble prediction was examined in the case of heavy snow fall event in Kanto area on January 14, 2013. The results showed that the predictions represent different features of high-resolution spatiotemporal distribution of precipitation affected by intensity and location of extra-tropical cyclone in each ensemble member. Although the ensemble prediction has model bias of mean values and variances in some variables such as wind speed and solar radiation, the ensemble prediction has a potential to append a probabilistic information to a deterministic prediction. (author)

  6. ENSEMBLE methods to reconcile disparate national long range dispersion forecasting

    Energy Technology Data Exchange (ETDEWEB)

    Mikkelsen, T; Galmarini, S; Bianconi, R; French, S [eds.

    2003-11-01

    ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparate national forecasts for long-range dispersion. ENSEMBLE addresses the problem of achieving a common coherent strategy across European national emergency management when national long-range dispersion forecasts differ from one another during an accidental atmospheric release of radioactive material. A series of new decision-making 'ENSEMBLE' procedures and Web-based software evaluation and exchange tools have been created for real-time reconciliation and harmonisation of real-time dispersion forecasts from meteorological and emergency centres across Europe during an accident. The new ENSEMBLE software tools is available to participating national emergency and meteorological forecasting centres, which may choose to integrate them directly into operational emergency information systems, or possibly use them as a basis for future system development. (au)

  7. ENSEMBLE methods to reconcile disparate national long range dispersion forecasting

    Energy Technology Data Exchange (ETDEWEB)

    Mikkelsen, T.; Galmarini, S.; Bianconi, R.; French, S. (eds.)

    2003-11-01

    ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparate national forecasts for long-range dispersion. ENSEMBLE addresses the problem of achieving a common coherent strategy across European national emergency management when national long-range dispersion forecasts differ from one another during an accidental atmospheric release of radioactive material. A series of new decision-making 'ENSEMBLE' procedures and Web-based software evaluation and exchange tools have been created for real-time reconciliation and harmonisation of real-time dispersion forecasts from meteorological and emergency centres across Europe during an accident. The new ENSEMBLE software tools is available to participating national emergency and meteorological forecasting centres, which may choose to integrate them directly into operational emergency information systems, or possibly use them as a basis for future system development. (au)

  8. Evaluation of the thermodynamics of a four level system using canonical density matrix method

    Directory of Open Access Journals (Sweden)

    Awoga Oladunjoye A.

    2013-02-01

    Full Text Available We consider a four-level system with two subsystems coupled by weak interaction. The system is in thermal equilibrium. The thermodynamics of the system, namely internal energy, free energy, entropy and heat capacity, are evaluated using the canonical density matrix by two methods. First by Kronecker product method and later by treating the subsystems separately and then adding the evaluated thermodynamic properties of each subsystem. It is discovered that both methods yield the same result, the results obey the laws of thermodynamics and are the same as earlier obtained results. The results also show that each level of the subsystems introduces a new degree of freedom and increases the entropy of the entire system. We also found that the four-level system predicts a linear relationship between heat capacity and temperature at very low temperatures just as in metals. Our numerical results show the same trend.

  9. ENSEMBLE methods to reconcile disparate national long range dispersion forecasts

    DEFF Research Database (Denmark)

    Mikkelsen, Torben; Galmarini, S.; Bianconi, R.

    2003-01-01

    ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparatenational forecasts for long-range dispersion...... emergency and meteorological forecasting centres, which may choose to integrate them directly intooperational emergency information systems, or possibly use them as a basis for future system development.......ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparatenational forecasts for long-range dispersion....... ENSEMBLE addresses the problem of achieving a common coherent strategy across European national emergency management when national long-range dispersion forecasts differ from one another during an accidentalatmospheric release of radioactive material. A series of new decision-making “ENSEMBLE” procedures...

  10. Time-optimal path planning in uncertain flow fields using ensemble method

    KAUST Repository

    Wang, Tong; Le Maitre, Olivier; Hoteit, Ibrahim; Knio, Omar

    2016-01-01

    the performance of sampling strategy, and develop insight into extensions dealing with regional or general circulation models. In particular, the ensemble method enables us to perform a statistical analysis of travel times, and consequently develop a path planning

  11. A target recognition method for maritime surveillance radars based on hybrid ensemble selection

    Science.gov (United States)

    Fan, Xueman; Hu, Shengliang; He, Jingbo

    2017-11-01

    In order to improve the generalisation ability of the maritime surveillance radar, a novel ensemble selection technique, termed Optimisation and Dynamic Selection (ODS), is proposed. During the optimisation phase, the non-dominated sorting genetic algorithm II for multi-objective optimisation is used to find the Pareto front, i.e. a set of ensembles of classifiers representing different tradeoffs between the classification error and diversity. During the dynamic selection phase, the meta-learning method is used to predict whether a candidate ensemble is competent enough to classify a query instance based on three different aspects, namely, feature space, decision space and the extent of consensus. The classification performance and time complexity of ODS are compared against nine other ensemble methods using a self-built full polarimetric high resolution range profile data-set. The experimental results clearly show the effectiveness of ODS. In addition, the influence of the selection of diversity measures is studied concurrently.

  12. Network 'small-world-ness': a quantitative method for determining canonical network equivalence.

    Directory of Open Access Journals (Sweden)

    Mark D Humphries

    Full Text Available BACKGROUND: Many technological, biological, social, and information networks fall into the broad class of 'small-world' networks: they have tightly interconnected clusters of nodes, and a shortest mean path length that is similar to a matched random graph (same number of nodes and edges. This semi-quantitative definition leads to a categorical distinction ('small/not-small' rather than a quantitative, continuous grading of networks, and can lead to uncertainty about a network's small-world status. Moreover, systems described by small-world networks are often studied using an equivalent canonical network model--the Watts-Strogatz (WS model. However, the process of establishing an equivalent WS model is imprecise and there is a pressing need to discover ways in which this equivalence may be quantified. METHODOLOGY/PRINCIPAL FINDINGS: We defined a precise measure of 'small-world-ness' S based on the trade off between high local clustering and short path length. A network is now deemed a 'small-world' if S>1--an assertion which may be tested statistically. We then examined the behavior of S on a large data-set of real-world systems. We found that all these systems were linked by a linear relationship between their S values and the network size n. Moreover, we show a method for assigning a unique Watts-Strogatz (WS model to any real-world network, and show analytically that the WS models associated with our sample of networks also show linearity between S and n. Linearity between S and n is not, however, inevitable, and neither is S maximal for an arbitrary network of given size. Linearity may, however, be explained by a common limiting growth process. CONCLUSIONS/SIGNIFICANCE: We have shown how the notion of a small-world network may be quantified. Several key properties of the metric are described and the use of WS canonical models is placed on a more secure footing.

  13. The generalised Marchenko equation and the canonical structure of the A.K.N.S.-Z.S. inverse method

    International Nuclear Information System (INIS)

    Dodd, R.K.; Bullough, R.K.

    1979-01-01

    A generalised Marchenko equation is derived for a 2 X 2 matrix inverse method and it is used to show that, for the subset of equations solvable by the method which can be constructed as defining the flows of Hamiltonians, the inverse transform is a canonical (homogeneous contact) transformation. Baecklund transformations are re-examined from this point of view. (Auth.)

  14. Clustered iterative stochastic ensemble method for multi-modal calibration of subsurface flow models

    KAUST Repository

    Elsheikh, Ahmed H.

    2013-05-01

    A novel multi-modal parameter estimation algorithm is introduced. Parameter estimation is an ill-posed inverse problem that might admit many different solutions. This is attributed to the limited amount of measured data used to constrain the inverse problem. The proposed multi-modal model calibration algorithm uses an iterative stochastic ensemble method (ISEM) for parameter estimation. ISEM employs an ensemble of directional derivatives within a Gauss-Newton iteration for nonlinear parameter estimation. ISEM is augmented with a clustering step based on k-means algorithm to form sub-ensembles. These sub-ensembles are used to explore different parts of the search space. Clusters are updated at regular intervals of the algorithm to allow merging of close clusters approaching the same local minima. Numerical testing demonstrates the potential of the proposed algorithm in dealing with multi-modal nonlinear parameter estimation for subsurface flow models. © 2013 Elsevier B.V.

  15. A Novel Bias Correction Method for Soil Moisture and Ocean Salinity (SMOS Soil Moisture: Retrieval Ensembles

    Directory of Open Access Journals (Sweden)

    Ju Hyoung Lee

    2015-12-01

    Full Text Available Bias correction is a very important pre-processing step in satellite data assimilation analysis, as data assimilation itself cannot circumvent satellite biases. We introduce a retrieval algorithm-specific and spatially heterogeneous Instantaneous Field of View (IFOV bias correction method for Soil Moisture and Ocean Salinity (SMOS soil moisture. To the best of our knowledge, this is the first paper to present the probabilistic presentation of SMOS soil moisture using retrieval ensembles. We illustrate that retrieval ensembles effectively mitigated the overestimation problem of SMOS soil moisture arising from brightness temperature errors over West Africa in a computationally efficient way (ensemble size: 12, no time-integration. In contrast, the existing method of Cumulative Distribution Function (CDF matching considerably increased the SMOS biases, due to the limitations of relying on the imperfect reference data. From the validation at two semi-arid sites, Benin (moderately wet and vegetated area and Niger (dry and sandy bare soils, it was shown that the SMOS errors arising from rain and vegetation attenuation were appropriately corrected by ensemble approaches. In Benin, the Root Mean Square Errors (RMSEs decreased from 0.1248 m3/m3 for CDF matching to 0.0678 m3/m3 for the proposed ensemble approach. In Niger, the RMSEs decreased from 0.14 m3/m3 for CDF matching to 0.045 m3/m3 for the ensemble approach.

  16. Methods of Weyl representation of the phase space and canonical transformations. 1

    International Nuclear Information System (INIS)

    Budanov, V.G.

    1984-01-01

    The kernel structure of canonical transformation and differential equation for the intertwining operator is found. The Weyl symbol of operators producing linear canonical transformations is associated with the Cayley transformation of classical canonical transformation. Due to the invariance of the Weyl formalism a complete study of singularity and factorization of these symbols is manageable. In particular, one can study the symbols of Green functions and elements of Lie groups and find the spectra of arbitrary stationary quadratic Hamiltonians with the help of the known classification of the spectra of classical systems

  17. 3D spatially-adaptive canonical correlation analysis: Local and global methods.

    Science.gov (United States)

    Yang, Zhengshi; Zhuang, Xiaowei; Sreenivasan, Karthik; Mishra, Virendra; Curran, Tim; Byrd, Richard; Nandy, Rajesh; Cordes, Dietmar

    2018-04-01

    Local spatially-adaptive canonical correlation analysis (local CCA) with spatial constraints has been introduced to fMRI multivariate analysis for improved modeling of activation patterns. However, current algorithms require complicated spatial constraints that have only been applied to 2D local neighborhoods because the computational time would be exponentially increased if the same method is applied to 3D spatial neighborhoods. In this study, an efficient and accurate line search sequential quadratic programming (SQP) algorithm has been developed to efficiently solve the 3D local CCA problem with spatial constraints. In addition, a spatially-adaptive kernel CCA (KCCA) method is proposed to increase accuracy of fMRI activation maps. With oriented 3D spatial filters anisotropic shapes can be estimated during the KCCA analysis of fMRI time courses. These filters are orientation-adaptive leading to rotational invariance to better match arbitrary oriented fMRI activation patterns, resulting in improved sensitivity of activation detection while significantly reducing spatial blurring artifacts. The kernel method in its basic form does not require any spatial constraints and analyzes the whole-brain fMRI time series to construct an activation map. Finally, we have developed a penalized kernel CCA model that involves spatial low-pass filter constraints to increase the specificity of the method. The kernel CCA methods are compared with the standard univariate method and with two different local CCA methods that were solved by the SQP algorithm. Results show that SQP is the most efficient algorithm to solve the local constrained CCA problem, and the proposed kernel CCA methods outperformed univariate and local CCA methods in detecting activations for both simulated and real fMRI episodic memory data. Copyright © 2017 Elsevier Inc. All rights reserved.

  18. Wang-Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions.

    Science.gov (United States)

    Landsgesell, Jonas; Holm, Christian; Smiatek, Jens

    2017-02-14

    We present a novel method for the study of weak polyelectrolytes and general acid-base reactions in molecular dynamics and Monte Carlo simulations. The approach combines the advantages of the reaction ensemble and the Wang-Landau sampling method. Deprotonation and protonation reactions are simulated explicitly with the help of the reaction ensemble method, while the accurate sampling of the corresponding phase space is achieved by the Wang-Landau approach. The combination of both techniques provides a sufficient statistical accuracy such that meaningful estimates for the density of states and the partition sum can be obtained. With regard to these estimates, several thermodynamic observables like the heat capacity or reaction free energies can be calculated. We demonstrate that the computation times for the calculation of titration curves with a high statistical accuracy can be significantly decreased when compared to the original reaction ensemble method. The applicability of our approach is validated by the study of weak polyelectrolytes and their thermodynamic properties.

  19. A Hyper-Heuristic Ensemble Method for Static Job-Shop Scheduling.

    Science.gov (United States)

    Hart, Emma; Sim, Kevin

    2016-01-01

    We describe a new hyper-heuristic method NELLI-GP for solving job-shop scheduling problems (JSSP) that evolves an ensemble of heuristics. The ensemble adopts a divide-and-conquer approach in which each heuristic solves a unique subset of the instance set considered. NELLI-GP extends an existing ensemble method called NELLI by introducing a novel heuristic generator that evolves heuristics composed of linear sequences of dispatching rules: each rule is represented using a tree structure and is itself evolved. Following a training period, the ensemble is shown to outperform both existing dispatching rules and a standard genetic programming algorithm on a large set of new test instances. In addition, it obtains superior results on a set of 210 benchmark problems from the literature when compared to two state-of-the-art hyper-heuristic approaches. Further analysis of the relationship between heuristics in the evolved ensemble and the instances each solves provides new insights into features that might describe similar instances.

  20. A deep learning-based multi-model ensemble method for cancer prediction.

    Science.gov (United States)

    Xiao, Yawen; Wu, Jun; Lin, Zongli; Zhao, Xiaodong

    2018-01-01

    Cancer is a complex worldwide health problem associated with high mortality. With the rapid development of the high-throughput sequencing technology and the application of various machine learning methods that have emerged in recent years, progress in cancer prediction has been increasingly made based on gene expression, providing insight into effective and accurate treatment decision making. Thus, developing machine learning methods, which can successfully distinguish cancer patients from healthy persons, is of great current interest. However, among the classification methods applied to cancer prediction so far, no one method outperforms all the others. In this paper, we demonstrate a new strategy, which applies deep learning to an ensemble approach that incorporates multiple different machine learning models. We supply informative gene data selected by differential gene expression analysis to five different classification models. Then, a deep learning method is employed to ensemble the outputs of the five classifiers. The proposed deep learning-based multi-model ensemble method was tested on three public RNA-seq data sets of three kinds of cancers, Lung Adenocarcinoma, Stomach Adenocarcinoma and Breast Invasive Carcinoma. The test results indicate that it increases the prediction accuracy of cancer for all the tested RNA-seq data sets as compared to using a single classifier or the majority voting algorithm. By taking full advantage of different classifiers, the proposed deep learning-based multi-model ensemble method is shown to be accurate and effective for cancer prediction. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Evaluation of bias-correction methods for ensemble streamflow volume forecasts

    Directory of Open Access Journals (Sweden)

    T. Hashino

    2007-01-01

    Full Text Available Ensemble prediction systems are used operationally to make probabilistic streamflow forecasts for seasonal time scales. However, hydrological models used for ensemble streamflow prediction often have simulation biases that degrade forecast quality and limit the operational usefulness of the forecasts. This study evaluates three bias-correction methods for ensemble streamflow volume forecasts. All three adjust the ensemble traces using a transformation derived with simulated and observed flows from a historical simulation. The quality of probabilistic forecasts issued when using the three bias-correction methods is evaluated using a distributions-oriented verification approach. Comparisons are made of retrospective forecasts of monthly flow volumes for a north-central United States basin (Des Moines River, Iowa, issued sequentially for each month over a 48-year record. The results show that all three bias-correction methods significantly improve forecast quality by eliminating unconditional biases and enhancing the potential skill. Still, subtle differences in the attributes of the bias-corrected forecasts have important implications for their use in operational decision-making. Diagnostic verification distinguishes these attributes in a context meaningful for decision-making, providing criteria to choose among bias-correction methods with comparable skill.

  2. Reducing false-positive incidental findings with ensemble genotyping and logistic regression based variant filtering methods.

    Science.gov (United States)

    Hwang, Kyu-Baek; Lee, In-Hee; Park, Jin-Ho; Hambuch, Tina; Choe, Yongjoon; Kim, MinHyeok; Lee, Kyungjoon; Song, Taemin; Neu, Matthew B; Gupta, Neha; Kohane, Isaac S; Green, Robert C; Kong, Sek Won

    2014-08-01

    As whole genome sequencing (WGS) uncovers variants associated with rare and common diseases, an immediate challenge is to minimize false-positive findings due to sequencing and variant calling errors. False positives can be reduced by combining results from orthogonal sequencing methods, but costly. Here, we present variant filtering approaches using logistic regression (LR) and ensemble genotyping to minimize false positives without sacrificing sensitivity. We evaluated the methods using paired WGS datasets of an extended family prepared using two sequencing platforms and a validated set of variants in NA12878. Using LR or ensemble genotyping based filtering, false-negative rates were significantly reduced by 1.1- to 17.8-fold at the same levels of false discovery rates (5.4% for heterozygous and 4.5% for homozygous single nucleotide variants (SNVs); 30.0% for heterozygous and 18.7% for homozygous insertions; 25.2% for heterozygous and 16.6% for homozygous deletions) compared to the filtering based on genotype quality scores. Moreover, ensemble genotyping excluded > 98% (105,080 of 107,167) of false positives while retaining > 95% (897 of 937) of true positives in de novo mutation (DNM) discovery in NA12878, and performed better than a consensus method using two sequencing platforms. Our proposed methods were effective in prioritizing phenotype-associated variants, and an ensemble genotyping would be essential to minimize false-positive DNM candidates. © 2014 WILEY PERIODICALS, INC.

  3. An iterative stochastic ensemble method for parameter estimation of subsurface flow models

    International Nuclear Information System (INIS)

    Elsheikh, Ahmed H.; Wheeler, Mary F.; Hoteit, Ibrahim

    2013-01-01

    Parameter estimation for subsurface flow models is an essential step for maximizing the value of numerical simulations for future prediction and the development of effective control strategies. We propose the iterative stochastic ensemble method (ISEM) as a general method for parameter estimation based on stochastic estimation of gradients using an ensemble of directional derivatives. ISEM eliminates the need for adjoint coding and deals with the numerical simulator as a blackbox. The proposed method employs directional derivatives within a Gauss–Newton iteration. The update equation in ISEM resembles the update step in ensemble Kalman filter, however the inverse of the output covariance matrix in ISEM is regularized using standard truncated singular value decomposition or Tikhonov regularization. We also investigate the performance of a set of shrinkage based covariance estimators within ISEM. The proposed method is successfully applied on several nonlinear parameter estimation problems for subsurface flow models. The efficiency of the proposed algorithm is demonstrated by the small size of utilized ensembles and in terms of error convergence rates

  4. Data assimilation method for fractured reservoirs using mimetic finite differences and ensemble Kalman filter

    KAUST Repository

    Ping, Jing; Al-Hinai, Omar; Wheeler, Mary F.

    2017-01-01

    -Gaussian in this case, it is a challenge to estimate fracture distributions by conventional history matching approaches. In this work, a method that combines vector-based level-set parameterization technique and ensemble Kalman filter (EnKF) for estimating fracture

  5. An iterative stochastic ensemble method for parameter estimation of subsurface flow models

    KAUST Repository

    Elsheikh, Ahmed H.

    2013-06-01

    Parameter estimation for subsurface flow models is an essential step for maximizing the value of numerical simulations for future prediction and the development of effective control strategies. We propose the iterative stochastic ensemble method (ISEM) as a general method for parameter estimation based on stochastic estimation of gradients using an ensemble of directional derivatives. ISEM eliminates the need for adjoint coding and deals with the numerical simulator as a blackbox. The proposed method employs directional derivatives within a Gauss-Newton iteration. The update equation in ISEM resembles the update step in ensemble Kalman filter, however the inverse of the output covariance matrix in ISEM is regularized using standard truncated singular value decomposition or Tikhonov regularization. We also investigate the performance of a set of shrinkage based covariance estimators within ISEM. The proposed method is successfully applied on several nonlinear parameter estimation problems for subsurface flow models. The efficiency of the proposed algorithm is demonstrated by the small size of utilized ensembles and in terms of error convergence rates. © 2013 Elsevier Inc.

  6. Canonical transformations of Kepler trajectories

    International Nuclear Information System (INIS)

    Mostowski, Jan

    2010-01-01

    In this paper, canonical transformations generated by constants of motion in the case of the Kepler problem are discussed. It is shown that canonical transformations generated by angular momentum are rotations of the trajectory. Particular attention is paid to canonical transformations generated by the Runge-Lenz vector. It is shown that these transformations change the eccentricity of the orbit. A method of obtaining elliptic trajectories from the circular ones with the help of canonical trajectories is discussed.

  7. Efficient Pruning Method for Ensemble Self-Generating Neural Networks

    Directory of Open Access Journals (Sweden)

    Hirotaka Inoue

    2003-12-01

    Full Text Available Recently, multiple classifier systems (MCS have been used for practical applications to improve classification accuracy. Self-generating neural networks (SGNN are one of the suitable base-classifiers for MCS because of their simple setting and fast learning. However, the computation cost of the MCS increases in proportion to the number of SGNN. In this paper, we propose an efficient pruning method for the structure of the SGNN in the MCS. We compare the pruned MCS with two sampling methods. Experiments have been conducted to compare the pruned MCS with an unpruned MCS, the MCS based on C4.5, and k-nearest neighbor method. The results show that the pruned MCS can improve its classification accuracy as well as reducing the computation cost.

  8. An ensemble method to predict target genes and pathways in uveal melanoma

    Directory of Open Access Journals (Sweden)

    Wei Chao

    2018-04-01

    Full Text Available This work proposes to predict target genes and pathways for uveal melanoma (UM based on an ensemble method and pathway analyses. Methods: The ensemble method integrated a correlation method (Pearson correlation coefficient, PCC, a causal inference method (IDA and a regression method (Lasso utilizing the Borda count election method. Subsequently, to validate the performance of PIL method, comparisons between confirmed database and predicted miRNA targets were performed. Ultimately, pathway enrichment analysis was conducted on target genes in top 1000 miRNA-mRNA interactions to identify target pathways for UM patients. Results: Thirty eight of the predicted interactions were matched with the confirmed interactions, indicating that the ensemble method was a suitable and feasible approach to predict miRNA targets. We obtained 50 seed miRNA-mRNA interactions of UM patients and extracted target genes from these interactions, such as ASPG, BSDC1 and C4BP. The 601 target genes in top 1,000 miRNA-mRNA interactions were enriched in 12 target pathways, of which Phototransduction was the most significant one. Conclusion: The target genes and pathways might provide a new way to reveal the molecular mechanism of UM and give hand for target treatments and preventions of this malignant tumor.

  9. An optimized ensemble local mean decomposition method for fault detection of mechanical components

    International Nuclear Information System (INIS)

    Zhang, Chao; Chen, Shuai; Wang, Jianguo; Li, Zhixiong; Hu, Chao; Zhang, Xiaogang

    2017-01-01

    Mechanical transmission systems have been widely adopted in most of industrial applications, and issues related to the maintenance of these systems have attracted considerable attention in the past few decades. The recently developed ensemble local mean decomposition (ELMD) method shows satisfactory performance in fault detection of mechanical components for preventing catastrophic failures and reducing maintenance costs. However, the performance of ELMD often heavily depends on proper selection of its model parameters. To this end, this paper proposes an optimized ensemble local mean decomposition (OELMD) method to determinate an optimum set of ELMD parameters for vibration signal analysis. In OELMD, an error index termed the relative root-mean-square error ( Relative RMSE ) is used to evaluate the decomposition performance of ELMD with a certain amplitude of the added white noise. Once a maximum Relative RMSE , corresponding to an optimal noise amplitude, is determined, OELMD then identifies optimal noise bandwidth and ensemble number based on the Relative RMSE and signal-to-noise ratio (SNR), respectively. Thus, all three critical parameters of ELMD (i.e. noise amplitude and bandwidth, and ensemble number) are optimized by OELMD. The effectiveness of OELMD was evaluated using experimental vibration signals measured from three different mechanical components (i.e. the rolling bearing, gear and diesel engine) under faulty operation conditions. (paper)

  10. An optimized ensemble local mean decomposition method for fault detection of mechanical components

    Science.gov (United States)

    Zhang, Chao; Li, Zhixiong; Hu, Chao; Chen, Shuai; Wang, Jianguo; Zhang, Xiaogang

    2017-03-01

    Mechanical transmission systems have been widely adopted in most of industrial applications, and issues related to the maintenance of these systems have attracted considerable attention in the past few decades. The recently developed ensemble local mean decomposition (ELMD) method shows satisfactory performance in fault detection of mechanical components for preventing catastrophic failures and reducing maintenance costs. However, the performance of ELMD often heavily depends on proper selection of its model parameters. To this end, this paper proposes an optimized ensemble local mean decomposition (OELMD) method to determinate an optimum set of ELMD parameters for vibration signal analysis. In OELMD, an error index termed the relative root-mean-square error (Relative RMSE) is used to evaluate the decomposition performance of ELMD with a certain amplitude of the added white noise. Once a maximum Relative RMSE, corresponding to an optimal noise amplitude, is determined, OELMD then identifies optimal noise bandwidth and ensemble number based on the Relative RMSE and signal-to-noise ratio (SNR), respectively. Thus, all three critical parameters of ELMD (i.e. noise amplitude and bandwidth, and ensemble number) are optimized by OELMD. The effectiveness of OELMD was evaluated using experimental vibration signals measured from three different mechanical components (i.e. the rolling bearing, gear and diesel engine) under faulty operation conditions.

  11. A New Ensemble Method with Feature Space Partitioning for High-Dimensional Data Classification

    Directory of Open Access Journals (Sweden)

    Yongjun Piao

    2015-01-01

    Full Text Available Ensemble data mining methods, also known as classifier combination, are often used to improve the performance of classification. Various classifier combination methods such as bagging, boosting, and random forest have been devised and have received considerable attention in the past. However, data dimensionality increases rapidly day by day. Such a trend poses various challenges as these methods are not suitable to directly apply to high-dimensional datasets. In this paper, we propose an ensemble method for classification of high-dimensional data, with each classifier constructed from a different set of features determined by partitioning of redundant features. In our method, the redundancy of features is considered to divide the original feature space. Then, each generated feature subset is trained by a support vector machine, and the results of each classifier are combined by majority voting. The efficiency and effectiveness of our method are demonstrated through comparisons with other ensemble techniques, and the results show that our method outperforms other methods.

  12. A Numerical Comparison of Rule Ensemble Methods and Support Vector Machines

    Energy Technology Data Exchange (ETDEWEB)

    Meza, Juan C.; Woods, Mark

    2009-12-18

    Machine or statistical learning is a growing field that encompasses many scientific problems including estimating parameters from data, identifying risk factors in health studies, image recognition, and finding clusters within datasets, to name just a few examples. Statistical learning can be described as 'learning from data' , with the goal of making a prediction of some outcome of interest. This prediction is usually made on the basis of a computer model that is built using data where the outcomes and a set of features have been previously matched. The computer model is called a learner, hence the name machine learning. In this paper, we present two such algorithms, a support vector machine method and a rule ensemble method. We compared their predictive power on three supernova type 1a data sets provided by the Nearby Supernova Factory and found that while both methods give accuracies of approximately 95%, the rule ensemble method gives much lower false negative rates.

  13. A Prediction Method of Airport Noise Based on Hybrid Ensemble Learning

    Directory of Open Access Journals (Sweden)

    Tao XU

    2014-05-01

    Full Text Available Using monitoring history data to build and to train a prediction model for airport noise is a normal method in recent years. However, the single model built in different ways has various performances in the storage, efficiency and accuracy. In order to predict the noise accurately in some complex environment around airport, this paper presents a prediction method based on hybrid ensemble learning. The proposed method ensembles three algorithms: artificial neural network as an active learner, nearest neighbor as a passive leaner and nonlinear regression as a synthesized learner. The experimental results show that the three learners can meet forecast demands respectively in on- line, near-line and off-line. And the accuracy of prediction is improved by integrating these three learners’ results.

  14. Transferability of hydrological models and ensemble averaging methods between contrasting climatic periods

    Science.gov (United States)

    Broderick, Ciaran; Matthews, Tom; Wilby, Robert L.; Bastola, Satish; Murphy, Conor

    2016-10-01

    Understanding hydrological model predictive capabilities under contrasting climate conditions enables more robust decision making. Using Differential Split Sample Testing (DSST), we analyze the performance of six hydrological models for 37 Irish catchments under climate conditions unlike those used for model training. Additionally, we consider four ensemble averaging techniques when examining interperiod transferability. DSST is conducted using 2/3 year noncontinuous blocks of (i) the wettest/driest years on record based on precipitation totals and (ii) years with a more/less pronounced seasonal precipitation regime. Model transferability between contrasting regimes was found to vary depending on the testing scenario, catchment, and evaluation criteria considered. As expected, the ensemble average outperformed most individual ensemble members. However, averaging techniques differed considerably in the number of times they surpassed the best individual model member. Bayesian Model Averaging (BMA) and the Granger-Ramanathan Averaging (GRA) method were found to outperform the simple arithmetic mean (SAM) and Akaike Information Criteria Averaging (AICA). Here GRA performed better than the best individual model in 51%-86% of cases (according to the Nash-Sutcliffe criterion). When assessing model predictive skill under climate change conditions we recommend (i) setting up DSST to select the best available analogues of expected annual mean and seasonal climate conditions; (ii) applying multiple performance criteria; (iii) testing transferability using a diverse set of catchments; and (iv) using a multimodel ensemble in conjunction with an appropriate averaging technique. Given the computational efficiency and performance of GRA relative to BMA, the former is recommended as the preferred ensemble averaging technique for climate assessment.

  15. Canonical Information Analysis

    DEFF Research Database (Denmark)

    Vestergaard, Jacob Schack; Nielsen, Allan Aasbjerg

    2015-01-01

    is replaced by the information theoretical, entropy based measure mutual information, which is a much more general measure of association. We make canonical information analysis feasible for large sample problems, including for example multispectral images, due to the use of a fast kernel density estimator......Canonical correlation analysis is an established multivariate statistical method in which correlation between linear combinations of multivariate sets of variables is maximized. In canonical information analysis introduced here, linear correlation as a measure of association between variables...... for entropy estimation. Canonical information analysis is applied successfully to (1) simple simulated data to illustrate the basic idea and evaluate performance, (2) fusion of weather radar and optical geostationary satellite data in a situation with heavy precipitation, and (3) change detection in optical...

  16. Discussion on Regression Methods Based on Ensemble Learning and Applicability Domains of Linear Submodels.

    Science.gov (United States)

    Kaneko, Hiromasa

    2018-02-26

    To develop a new ensemble learning method and construct highly predictive regression models in chemoinformatics and chemometrics, applicability domains (ADs) are introduced into the ensemble learning process of prediction. When estimating values of an objective variable using subregression models, only the submodels with ADs that cover a query sample, i.e., the sample is inside the model's AD, are used. By constructing submodels and changing a list of selected explanatory variables, the union of the submodels' ADs, which defines the overall AD, becomes large, and the prediction performance is enhanced for diverse compounds. By analyzing a quantitative structure-activity relationship data set and a quantitative structure-property relationship data set, it is confirmed that the ADs can be enlarged and the estimation performance of regression models is improved compared with traditional methods.

  17. Short ensembles: an efficient method for discerning climate-relevant sensitivities in atmospheric general circulation models

    Directory of Open Access Journals (Sweden)

    H. Wan

    2014-09-01

    Full Text Available This paper explores the feasibility of an experimentation strategy for investigating sensitivities in fast components of atmospheric general circulation models. The basic idea is to replace the traditional serial-in-time long-term climate integrations by representative ensembles of shorter simulations. The key advantage of the proposed method lies in its efficiency: since fewer days of simulation are needed, the computational cost is less, and because individual realizations are independent and can be integrated simultaneously, the new dimension of parallelism can dramatically reduce the turnaround time in benchmark tests, sensitivities studies, and model tuning exercises. The strategy is not appropriate for exploring sensitivity of all model features, but it is very effective in many situations. Two examples are presented using the Community Atmosphere Model, version 5. In the first example, the method is used to characterize sensitivities of the simulated clouds to time-step length. Results show that 3-day ensembles of 20 to 50 members are sufficient to reproduce the main signals revealed by traditional 5-year simulations. A nudging technique is applied to an additional set of simulations to help understand the contribution of physics–dynamics interaction to the detected time-step sensitivity. In the second example, multiple empirical parameters related to cloud microphysics and aerosol life cycle are perturbed simultaneously in order to find out which parameters have the largest impact on the simulated global mean top-of-atmosphere radiation balance. It turns out that 12-member ensembles of 10-day simulations are able to reveal the same sensitivities as seen in 4-year simulations performed in a previous study. In both cases, the ensemble method reduces the total computational time by a factor of about 15, and the turnaround time by a factor of several hundred. The efficiency of the method makes it particularly useful for the development of

  18. CarcinoPred-EL: Novel models for predicting the carcinogenicity of chemicals using molecular fingerprints and ensemble learning methods.

    Science.gov (United States)

    Zhang, Li; Ai, Haixin; Chen, Wen; Yin, Zimo; Hu, Huan; Zhu, Junfeng; Zhao, Jian; Zhao, Qi; Liu, Hongsheng

    2017-05-18

    Carcinogenicity refers to a highly toxic end point of certain chemicals, and has become an important issue in the drug development process. In this study, three novel ensemble classification models, namely Ensemble SVM, Ensemble RF, and Ensemble XGBoost, were developed to predict carcinogenicity of chemicals using seven types of molecular fingerprints and three machine learning methods based on a dataset containing 1003 diverse compounds with rat carcinogenicity. Among these three models, Ensemble XGBoost is found to be the best, giving an average accuracy of 70.1 ± 2.9%, sensitivity of 67.0 ± 5.0%, and specificity of 73.1 ± 4.4% in five-fold cross-validation and an accuracy of 70.0%, sensitivity of 65.2%, and specificity of 76.5% in external validation. In comparison with some recent methods, the ensemble models outperform some machine learning-based approaches and yield equal accuracy and higher specificity but lower sensitivity than rule-based expert systems. It is also found that the ensemble models could be further improved if more data were available. As an application, the ensemble models are employed to discover potential carcinogens in the DrugBank database. The results indicate that the proposed models are helpful in predicting the carcinogenicity of chemicals. A web server called CarcinoPred-EL has been built for these models ( http://ccsipb.lnu.edu.cn/toxicity/CarcinoPred-EL/ ).

  19. An Ensemble Model for Co-Seismic Landslide Susceptibility Using GIS and Random Forest Method

    Directory of Open Access Journals (Sweden)

    Suchita Shrestha

    2017-11-01

    Full Text Available The Mw 7.8 Gorkha earthquake of 25 April 2015 triggered thousands of landslides in the central part of the Nepal Himalayas. The main goal of this study was to generate an ensemble-based map of co-seismic landslide susceptibility in Sindhupalchowk District using model comparison and combination strands. A total of 2194 co-seismic landslides were identified and were randomly split into 1536 (~70%, to train data for establishing the model, and the remaining 658 (~30% for the validation of the model. Frequency ratio, evidential belief function, and weight of evidence methods were applied and compared using 11 different causative factors (peak ground acceleration, epicenter proximity, fault proximity, geology, elevation, slope, plan curvature, internal relief, drainage proximity, stream power index, and topographic wetness index to prepare the landslide susceptibility map. An ensemble of random forest was then used to overcome the various prediction limitations of the individual models. The success rates and prediction capabilities were critically compared using the area under the curve (AUC of the receiver operating characteristic curve (ROC. By synthesizing the results of the various models into a single score, the ensemble model improved accuracy and provided considerably more realistic prediction capacities (91% than the frequency ratio (81.2%, evidential belief function (83.5% methods, and weight of evidence (80.1%.

  20. Prediction of Human Phenotype Ontology terms by means of hierarchical ensemble methods.

    Science.gov (United States)

    Notaro, Marco; Schubach, Max; Robinson, Peter N; Valentini, Giorgio

    2017-10-12

    The prediction of human gene-abnormal phenotype associations is a fundamental step toward the discovery of novel genes associated with human disorders, especially when no genes are known to be associated with a specific disease. In this context the Human Phenotype Ontology (HPO) provides a standard categorization of the abnormalities associated with human diseases. While the problem of the prediction of gene-disease associations has been widely investigated, the related problem of gene-phenotypic feature (i.e., HPO term) associations has been largely overlooked, even if for most human genes no HPO term associations are known and despite the increasing application of the HPO to relevant medical problems. Moreover most of the methods proposed in literature are not able to capture the hierarchical relationships between HPO terms, thus resulting in inconsistent and relatively inaccurate predictions. We present two hierarchical ensemble methods that we formally prove to provide biologically consistent predictions according to the hierarchical structure of the HPO. The modular structure of the proposed methods, that consists in a "flat" learning first step and a hierarchical combination of the predictions in the second step, allows the predictions of virtually any flat learning method to be enhanced. The experimental results show that hierarchical ensemble methods are able to predict novel associations between genes and abnormal phenotypes with results that are competitive with state-of-the-art algorithms and with a significant reduction of the computational complexity. Hierarchical ensembles are efficient computational methods that guarantee biologically meaningful predictions that obey the true path rule, and can be used as a tool to improve and make consistent the HPO terms predictions starting from virtually any flat learning method. The implementation of the proposed methods is available as an R package from the CRAN repository.

  1. Nucleus as a canonical ensemble, 2

    International Nuclear Information System (INIS)

    Sato, Hiroshi.

    1986-11-01

    Highly excited nuclear states formed by high energy heavy-ion collisions are studied in terms of the temperature dependent antisymmetrized density matrix of many fermions in a harmonic oscillator well. Particle inclusive spectrum and multiplicity are studied with the density matrix derived. The deuteron formation probability, the coalescence model and the d/pn and d/p ratios are formulated and studied. The relationship between the d/p ratio and the entropy is discussed. It is found that quantities obtained are consistent with those found in high energy heavy-ion collisions. (author)

  2. Nucleus as a canonical ensemble, 1

    International Nuclear Information System (INIS)

    Sato, Hiroshi.

    1986-11-01

    The nuclear thermodynamical quantities at low excitation energy are studied in terms of the temperature dependent antisymmetrized density matrices of many fermions in a harmonic oscillator well. The relationship between this treatment and the conventional shell model is studied. The nuclear level density is formulated and compared with the conventional formula. It is found that characteristic features of nuclear level densities observed experimentally are reproduced. Also the excitation energy dependence of the level density parameter a is found. (author)

  3. Extensions and applications of ensemble-of-trees methods in machine learning

    Science.gov (United States)

    Bleich, Justin

    Ensemble-of-trees algorithms have emerged to the forefront of machine learning due to their ability to generate high forecasting accuracy for a wide array of regression and classification problems. Classic ensemble methodologies such as random forests (RF) and stochastic gradient boosting (SGB) rely on algorithmic procedures to generate fits to data. In contrast, more recent ensemble techniques such as Bayesian Additive Regression Trees (BART) and Dynamic Trees (DT) focus on an underlying Bayesian probability model to generate the fits. These new probability model-based approaches show much promise versus their algorithmic counterparts, but also offer substantial room for improvement. The first part of this thesis focuses on methodological advances for ensemble-of-trees techniques with an emphasis on the more recent Bayesian approaches. In particular, we focus on extensions of BART in four distinct ways. First, we develop a more robust implementation of BART for both research and application. We then develop a principled approach to variable selection for BART as well as the ability to naturally incorporate prior information on important covariates into the algorithm. Next, we propose a method for handling missing data that relies on the recursive structure of decision trees and does not require imputation. Last, we relax the assumption of homoskedasticity in the BART model to allow for parametric modeling of heteroskedasticity. The second part of this thesis returns to the classic algorithmic approaches in the context of classification problems with asymmetric costs of forecasting errors. First we consider the performance of RF and SGB more broadly and demonstrate its superiority to logistic regression for applications in criminology with asymmetric costs. Next, we use RF to forecast unplanned hospital readmissions upon patient discharge with asymmetric costs taken into account. Finally, we explore the construction of stable decision trees for forecasts of

  4. Multilevel Monte Carlo methods using ensemble level mixed MsFEM for two-phase flow and transport simulations

    KAUST Repository

    Efendiev, Yalchin R.

    2013-08-21

    In this paper, we propose multilevel Monte Carlo (MLMC) methods that use ensemble level mixed multiscale methods in the simulations of multiphase flow and transport. The contribution of this paper is twofold: (1) a design of ensemble level mixed multiscale finite element methods and (2) a novel use of mixed multiscale finite element methods within multilevel Monte Carlo techniques to speed up the computations. The main idea of ensemble level multiscale methods is to construct local multiscale basis functions that can be used for any member of the ensemble. In this paper, we consider two ensemble level mixed multiscale finite element methods: (1) the no-local-solve-online ensemble level method (NLSO); and (2) the local-solve-online ensemble level method (LSO). The first approach was proposed in Aarnes and Efendiev (SIAM J. Sci. Comput. 30(5):2319-2339, 2008) while the second approach is new. Both mixed multiscale methods use a number of snapshots of the permeability media in generating multiscale basis functions. As a result, in the off-line stage, we construct multiple basis functions for each coarse region where basis functions correspond to different realizations. In the no-local-solve-online ensemble level method, one uses the whole set of precomputed basis functions to approximate the solution for an arbitrary realization. In the local-solve-online ensemble level method, one uses the precomputed functions to construct a multiscale basis for a particular realization. With this basis, the solution corresponding to this particular realization is approximated in LSO mixed multiscale finite element method (MsFEM). In both approaches, the accuracy of the method is related to the number of snapshots computed based on different realizations that one uses to precompute a multiscale basis. In this paper, ensemble level multiscale methods are used in multilevel Monte Carlo methods (Giles 2008a, Oper.Res. 56(3):607-617, b). In multilevel Monte Carlo methods, more accurate

  5. A third-generation density-functional-theory-based method for calculating canonical molecular orbitals of large molecules.

    Science.gov (United States)

    Hirano, Toshiyuki; Sato, Fumitoshi

    2014-07-28

    We used grid-free modified Cholesky decomposition (CD) to develop a density-functional-theory (DFT)-based method for calculating the canonical molecular orbitals (CMOs) of large molecules. Our method can be used to calculate standard CMOs, analytically compute exchange-correlation terms, and maximise the capacity of next-generation supercomputers. Cholesky vectors were first analytically downscaled using low-rank pivoted CD and CD with adaptive metric (CDAM). The obtained Cholesky vectors were distributed and stored on each computer node in a parallel computer, and the Coulomb, Fock exchange, and pure exchange-correlation terms were calculated by multiplying the Cholesky vectors without evaluating molecular integrals in self-consistent field iterations. Our method enables DFT and massively distributed memory parallel computers to be used in order to very efficiently calculate the CMOs of large molecules.

  6. Comparison of projection skills of deterministic ensemble methods using pseudo-simulation data generated from multivariate Gaussian distribution

    Science.gov (United States)

    Oh, Seok-Geun; Suh, Myoung-Seok

    2017-07-01

    The projection skills of five ensemble methods were analyzed according to simulation skills, training period, and ensemble members, using 198 sets of pseudo-simulation data (PSD) produced by random number generation assuming the simulated temperature of regional climate models. The PSD sets were classified into 18 categories according to the relative magnitude of bias, variance ratio, and correlation coefficient, where each category had 11 sets (including 1 truth set) with 50 samples. The ensemble methods used were as follows: equal weighted averaging without bias correction (EWA_NBC), EWA with bias correction (EWA_WBC), weighted ensemble averaging based on root mean square errors and correlation (WEA_RAC), WEA based on the Taylor score (WEA_Tay), and multivariate linear regression (Mul_Reg). The projection skills of the ensemble methods improved generally as compared with the best member for each category. However, their projection skills are significantly affected by the simulation skills of the ensemble member. The weighted ensemble methods showed better projection skills than non-weighted methods, in particular, for the PSD categories having systematic biases and various correlation coefficients. The EWA_NBC showed considerably lower projection skills than the other methods, in particular, for the PSD categories with systematic biases. Although Mul_Reg showed relatively good skills, it showed strong sensitivity to the PSD categories, training periods, and number of members. On the other hand, the WEA_Tay and WEA_RAC showed relatively superior skills in both the accuracy and reliability for all the sensitivity experiments. This indicates that WEA_Tay and WEA_RAC are applicable even for simulation data with systematic biases, a short training period, and a small number of ensemble members.

  7. Entropy of network ensembles

    Science.gov (United States)

    Bianconi, Ginestra

    2009-03-01

    In this paper we generalize the concept of random networks to describe network ensembles with nontrivial features by a statistical mechanics approach. This framework is able to describe undirected and directed network ensembles as well as weighted network ensembles. These networks might have nontrivial community structure or, in the case of networks embedded in a given space, they might have a link probability with a nontrivial dependence on the distance between the nodes. These ensembles are characterized by their entropy, which evaluates the cardinality of networks in the ensemble. In particular, in this paper we define and evaluate the structural entropy, i.e., the entropy of the ensembles of undirected uncorrelated simple networks with given degree sequence. We stress the apparent paradox that scale-free degree distributions are characterized by having small structural entropy while they are so widely encountered in natural, social, and technological complex systems. We propose a solution to the paradox by proving that scale-free degree distributions are the most likely degree distribution with the corresponding value of the structural entropy. Finally, the general framework we present in this paper is able to describe microcanonical ensembles of networks as well as canonical or hidden-variable network ensembles with significant implications for the formulation of network-constructing algorithms.

  8. Short ensembles: An Efficient Method for Discerning Climate-relevant Sensitivities in Atmospheric General Circulation Models

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Hui; Rasch, Philip J.; Zhang, Kai; Qian, Yun; Yan, Huiping; Zhao, Chun

    2014-09-08

    This paper explores the feasibility of an experimentation strategy for investigating sensitivities in fast components of atmospheric general circulation models. The basic idea is to replace the traditional serial-in-time long-term climate integrations by representative ensembles of shorter simulations. The key advantage of the proposed method lies in its efficiency: since fewer days of simulation are needed, the computational cost is less, and because individual realizations are independent and can be integrated simultaneously, the new dimension of parallelism can dramatically reduce the turnaround time in benchmark tests, sensitivities studies, and model tuning exercises. The strategy is not appropriate for exploring sensitivity of all model features, but it is very effective in many situations. Two examples are presented using the Community Atmosphere Model version 5. The first example demonstrates that the method is capable of characterizing the model cloud and precipitation sensitivity to time step length. A nudging technique is also applied to an additional set of simulations to help understand the contribution of physics-dynamics interaction to the detected time step sensitivity. In the second example, multiple empirical parameters related to cloud microphysics and aerosol lifecycle are perturbed simultaneously in order to explore which parameters have the largest impact on the simulated global mean top-of-atmosphere radiation balance. Results show that in both examples, short ensembles are able to correctly reproduce the main signals of model sensitivities revealed by traditional long-term climate simulations for fast processes in the climate system. The efficiency of the ensemble method makes it particularly useful for the development of high-resolution, costly and complex climate models.

  9. A demonstration of the improved efficiency of the canonical coordinates method using nonlinear combined heat and power economic dispatch problems

    Science.gov (United States)

    Chang, Hung-Chieh; Lin, Pei-Chun

    2014-02-01

    Economic dispatch is the short-term determination of the optimal output from a number of electricity generation facilities to meet the system load while providing power. As such, it represents one of the main optimization problems in the operation of electrical power systems. This article presents techniques to substantially improve the efficiency of the canonical coordinates method (CCM) algorithm when applied to nonlinear combined heat and power economic dispatch (CHPED) problems. The improvement is to eliminate the need to solve a system of nonlinear differential equations, which appears in the line search process in the CCM algorithm. The modified algorithm was tested and the analytical solution was verified using nonlinear CHPED optimization problems, thereby demonstrating the effectiveness of the algorithm. The CCM methods proved numerically stable and, in the case of nonlinear programs, produced solutions with unprecedented accuracy within a reasonable time.

  10. A novel method for intelligent fault diagnosis of rolling bearings using ensemble deep auto-encoders

    Science.gov (United States)

    Shao, Haidong; Jiang, Hongkai; Lin, Ying; Li, Xingqiu

    2018-03-01

    Automatic and accurate identification of rolling bearings fault categories, especially for the fault severities and fault orientations, is still a major challenge in rotating machinery fault diagnosis. In this paper, a novel method called ensemble deep auto-encoders (EDAEs) is proposed for intelligent fault diagnosis of rolling bearings. Firstly, different activation functions are employed as the hidden functions to design a series of auto-encoders (AEs) with different characteristics. Secondly, EDAEs are constructed with various auto-encoders for unsupervised feature learning from the measured vibration signals. Finally, a combination strategy is designed to ensure accurate and stable diagnosis results. The proposed method is applied to analyze the experimental bearing vibration signals. The results confirm that the proposed method can get rid of the dependence on manual feature extraction and overcome the limitations of individual deep learning models, which is more effective than the existing intelligent diagnosis methods.

  11. Iterative ensemble variational methods for nonlinear data assimilation: Application to transport and atmospheric chemistry

    International Nuclear Information System (INIS)

    Haussaire, Jean-Matthieu

    2017-01-01

    Data assimilation methods are constantly evolving to adapt to the various application domains. In atmospheric sciences, each new algorithm has first been implemented on numerical weather prediction models before being ported to atmospheric chemistry models. It has been the case for 4D variational methods and ensemble Kalman filters for instance. The new 4D ensemble variational methods (4D EnVar) are no exception. They were developed to take advantage of both variational and ensemble approaches and they are starting to be used in operational weather prediction centers, but have yet to be tested on operational atmospheric chemistry models. The validation of new data assimilation methods on these models is indeed difficult because of the complexity of such models. It is hence necessary to have at our disposal low-order models capable of synthetically reproducing key physical phenomena from operational models while limiting some of their hardships. Such a model, called L95-GRS, has therefore been developed. Il combines the simple meteorology from the Lorenz-95 model to a tropospheric ozone chemistry module with 7 chemical species. Even though it is of low dimension, it reproduces some of the physical and chemical phenomena observable in real situations. A data assimilation method, the iterative ensemble Kalman smoother (IEnKS), has been applied to this model. It is an iterative 4D EnVar method which solves the full non-linear variational problem. This application validates 4D EnVar methods in the context of non-linear atmospheric chemistry, but also raises the first limits of such methods, most noticeably when they are applied to weakly coupled stable models. After this experiment, results have been extended to a realistic atmospheric pollution prediction model. 4D EnVar methods, via the IEnKS, have once again shown their potential to take into account the non-linearity of the chemistry model in a controlled environment, with synthetic observations. However, the

  12. An Improved Ensemble Learning Method for Classifying High-Dimensional and Imbalanced Biomedicine Data.

    Science.gov (United States)

    Yu, Hualong; Ni, Jun

    2014-01-01

    Training classifiers on skewed data can be technically challenging tasks, especially if the data is high-dimensional simultaneously, the tasks can become more difficult. In biomedicine field, skewed data type often appears. In this study, we try to deal with this problem by combining asymmetric bagging ensemble classifier (asBagging) that has been presented in previous work and an improved random subspace (RS) generation strategy that is called feature subspace (FSS). Specifically, FSS is a novel method to promote the balance level between accuracy and diversity of base classifiers in asBagging. In view of the strong generalization capability of support vector machine (SVM), we adopt it to be base classifier. Extensive experiments on four benchmark biomedicine data sets indicate that the proposed ensemble learning method outperforms many baseline approaches in terms of Accuracy, F-measure, G-mean and AUC evaluation criterions, thus it can be regarded as an effective and efficient tool to deal with high-dimensional and imbalanced biomedical data.

  13. Boosting iterative stochastic ensemble method for nonlinear calibration of subsurface flow models

    KAUST Repository

    Elsheikh, Ahmed H.

    2013-06-01

    A novel parameter estimation algorithm is proposed. The inverse problem is formulated as a sequential data integration problem in which Gaussian process regression (GPR) is used to integrate the prior knowledge (static data). The search space is further parameterized using Karhunen-Loève expansion to build a set of basis functions that spans the search space. Optimal weights of the reduced basis functions are estimated by an iterative stochastic ensemble method (ISEM). ISEM employs directional derivatives within a Gauss-Newton iteration for efficient gradient estimation. The resulting update equation relies on the inverse of the output covariance matrix which is rank deficient.In the proposed algorithm we use an iterative regularization based on the ℓ2 Boosting algorithm. ℓ2 Boosting iteratively fits the residual and the amount of regularization is controlled by the number of iterations. A termination criteria based on Akaike information criterion (AIC) is utilized. This regularization method is very attractive in terms of performance and simplicity of implementation. The proposed algorithm combining ISEM and ℓ2 Boosting is evaluated on several nonlinear subsurface flow parameter estimation problems. The efficiency of the proposed algorithm is demonstrated by the small size of utilized ensembles and in terms of error convergence rates. © 2013 Elsevier B.V.

  14. Ensemble approach combining multiple methods improves human transcription start site prediction

    LENUS (Irish Health Repository)

    Dineen, David G

    2010-11-30

    Abstract Background The computational prediction of transcription start sites is an important unsolved problem. Some recent progress has been made, but many promoters, particularly those not associated with CpG islands, are still difficult to locate using current methods. These methods use different features and training sets, along with a variety of machine learning techniques and result in different prediction sets. Results We demonstrate the heterogeneity of current prediction sets, and take advantage of this heterogeneity to construct a two-level classifier (\\'Profisi Ensemble\\') using predictions from 7 programs, along with 2 other data sources. Support vector machines using \\'full\\' and \\'reduced\\' data sets are combined in an either\\/or approach. We achieve a 14% increase in performance over the current state-of-the-art, as benchmarked by a third-party tool. Conclusions Supervised learning methods are a useful way to combine predictions from diverse sources.

  15. Simulation of weak polyelectrolytes: a comparison between the constant pH and the reaction ensemble method

    Science.gov (United States)

    Landsgesell, Jonas; Holm, Christian; Smiatek, Jens

    2017-03-01

    The reaction ensemble and the constant pH method are well-known chemical equilibrium approaches to simulate protonation and deprotonation reactions in classical molecular dynamics and Monte Carlo simulations. In this article, we demonstrate the similarity between both methods under certain conditions. We perform molecular dynamics simulations of a weak polyelectrolyte in order to compare the titration curves obtained by both approaches. Our findings reveal a good agreement between the methods when the reaction ensemble is used to sweep the reaction constant. Pronounced differences between the reaction ensemble and the constant pH method can be observed for stronger acids and bases in terms of adaptive pH values. These deviations are due to the presence of explicit protons in the reaction ensemble method which induce a screening of electrostatic interactions between the charged titrable groups of the polyelectrolyte. The outcomes of our simulation hint to a better applicability of the reaction ensemble method for systems in confined geometries and titrable groups in polyelectrolytes with different pKa values.

  16. Methods for calculating nonconcave entropies

    International Nuclear Information System (INIS)

    Touchette, Hugo

    2010-01-01

    Five different methods which can be used to analytically calculate entropies that are nonconcave as functions of the energy in the thermodynamic limit are discussed and compared. The five methods are based on the following ideas and techniques: (i) microcanonical contraction, (ii) metastable branches of the free energy, (iii) generalized canonical ensembles with specific illustrations involving the so-called Gaussian and Betrag ensembles, (iv) the restricted canonical ensemble, and (v) the inverse Laplace transform. A simple long-range spin model having a nonconcave entropy is used to illustrate each method

  17. A Fuzzy Integral Ensemble Method in Visual P300 Brain-Computer Interface

    Directory of Open Access Journals (Sweden)

    Francesco Cavrini

    2016-01-01

    Full Text Available We evaluate the possibility of application of combination of classifiers using fuzzy measures and integrals to Brain-Computer Interface (BCI based on electroencephalography. In particular, we present an ensemble method that can be applied to a variety of systems and evaluate it in the context of a visual P300-based BCI. Offline analysis of data relative to 5 subjects lets us argue that the proposed classification strategy is suitable for BCI. Indeed, the achieved performance is significantly greater than the average of the base classifiers and, broadly speaking, similar to that of the best one. Thus the proposed methodology allows realizing systems that can be used by different subjects without the need for a preliminary configuration phase in which the best classifier for each user has to be identified. Moreover, the ensemble is often capable of detecting uncertain situations and turning them from misclassifications into abstentions, thereby improving the level of safety in BCI for environmental or device control.

  18. Generalized WKB method through an appropriate canonical transformation giving an exact invariant

    International Nuclear Information System (INIS)

    Guyard, J.; Nadeau, A.

    1976-01-01

    The solution of differential equations of the type d 2 q/dtau 2 +ω 2 (tau)q=0 is of great interest in Physics. Authors often introduce an auxiliary function w, solution of a differential equation which can be solved by a perturbation method. In fact this approach is nothing but an extension of the well known WKB method. Lewis has found an exact invariant of the motion given in closed form in terms in a much easier way. This method can now be used as a natural way of introducing the WKB extension [fr

  19. Canonical sampling of a lattice gas

    International Nuclear Information System (INIS)

    Mueller, W.F.

    1997-01-01

    It is shown that a sampling algorithm, recently proposed in conjunction with a lattice-gas model of nuclear fragmentation, samples the canonical ensemble only in an approximate fashion. A residual weight factor has to be taken into account to calculate correct thermodynamic averages. Then, however, the algorithm is numerically inefficient. copyright 1997 The American Physical Society

  20. Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

    Science.gov (United States)

    Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

    2011-08-28

    Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

  1. Generalized ensemble theory with non-extensive statistics

    Science.gov (United States)

    Shen, Ke-Ming; Zhang, Ben-Wei; Wang, En-Ke

    2017-12-01

    The non-extensive canonical ensemble theory is reconsidered with the method of Lagrange multipliers by maximizing Tsallis entropy, with the constraint that the normalized term of Tsallis' q -average of physical quantities, the sum ∑ pjq, is independent of the probability pi for Tsallis parameter q. The self-referential problem in the deduced probability and thermal quantities in non-extensive statistics is thus avoided, and thermodynamical relationships are obtained in a consistent and natural way. We also extend the study to the non-extensive grand canonical ensemble theory and obtain the q-deformed Bose-Einstein distribution as well as the q-deformed Fermi-Dirac distribution. The theory is further applied to the generalized Planck law to demonstrate the distinct behaviors of the various generalized q-distribution functions discussed in literature.

  2. Clustered iterative stochastic ensemble method for multi-modal calibration of subsurface flow models

    KAUST Repository

    Elsheikh, Ahmed H.; Wheeler, Mary Fanett; Hoteit, Ibrahim

    2013-01-01

    estimation. ISEM is augmented with a clustering step based on k-means algorithm to form sub-ensembles. These sub-ensembles are used to explore different parts of the search space. Clusters are updated at regular intervals of the algorithm to allow merging

  3. Functional Multiple-Set Canonical Correlation Analysis

    Science.gov (United States)

    Hwang, Heungsun; Jung, Kwanghee; Takane, Yoshio; Woodward, Todd S.

    2012-01-01

    We propose functional multiple-set canonical correlation analysis for exploring associations among multiple sets of functions. The proposed method includes functional canonical correlation analysis as a special case when only two sets of functions are considered. As in classical multiple-set canonical correlation analysis, computationally, the…

  4. The role of the canonical biplot method in the study of volatile compounds in cheeses of variable composition

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez Martin, M.I.; Vicente Tavera, S.; Revilla Martin, I.; Vivar Quintana, A.M.; Gonzalez Perez, C.; Hernandez Hierro, J.M.; Lobos Ortega, I.A.

    2016-07-01

    The canonical biplot method (CB) is used to determine the discriminatory power of volatile chemical compounds in cheese. These volatile compounds were used as variables in order to differentiate among 6 groups or populations of cheeses (combinations of two seasons (winter and summer) with 3 types of cheese (cow, sheep and goat’s milk). We analyzed a total of 17 volatile compounds by means of gas chromatography coupled with mass detection. The compounds included aldehydes and methyl-aldehydes, alcohols (primary, secondary and branched chain), ketones, methyl-ketones and esters in winter (WC) and summer (SC) cow’s cheeses, winter (WSh) and summer (SSh) sheep’s cheeses and in winter (WG) and summer (SG) goat’s cheeses. The CB method allows differences to be found as a function of the elaboration of the cheeses, the seasonality of the milk, and the separation of the six groups of cheeses, characterizing the specific volatile chemical compounds responsible for such differences. (Author)

  5. An ensemble method for predicting subnuclear localizations from primary protein structures.

    Directory of Open Access Journals (Sweden)

    Guo Sheng Han

    Full Text Available BACKGROUND: Predicting protein subnuclear localization is a challenging problem. Some previous works based on non-sequence information including Gene Ontology annotations and kernel fusion have respective limitations. The aim of this work is twofold: one is to propose a novel individual feature extraction method; another is to develop an ensemble method to improve prediction performance using comprehensive information represented in the form of high dimensional feature vector obtained by 11 feature extraction methods. METHODOLOGY/PRINCIPAL FINDINGS: A novel two-stage multiclass support vector machine is proposed to predict protein subnuclear localizations. It only considers those feature extraction methods based on amino acid classifications and physicochemical properties. In order to speed up our system, an automatic search method for the kernel parameter is used. The prediction performance of our method is evaluated on four datasets: Lei dataset, multi-localization dataset, SNL9 dataset and a new independent dataset. The overall accuracy of prediction for 6 localizations on Lei dataset is 75.2% and that for 9 localizations on SNL9 dataset is 72.1% in the leave-one-out cross validation, 71.7% for the multi-localization dataset and 69.8% for the new independent dataset, respectively. Comparisons with those existing methods show that our method performs better for both single-localization and multi-localization proteins and achieves more balanced sensitivities and specificities on large-size and small-size subcellular localizations. The overall accuracy improvements are 4.0% and 4.7% for single-localization proteins and 6.5% for multi-localization proteins. The reliability and stability of our classification model are further confirmed by permutation analysis. CONCLUSIONS: It can be concluded that our method is effective and valuable for predicting protein subnuclear localizations. A web server has been designed to implement the proposed method

  6. On Reducing the Effect of Covariate Factors in Gait Recognition: A Classifier Ensemble Method.

    Science.gov (United States)

    Guan, Yu; Li, Chang-Tsun; Roli, Fabio

    2015-07-01

    Robust human gait recognition is challenging because of the presence of covariate factors such as carrying condition, clothing, walking surface, etc. In this paper, we model the effect of covariates as an unknown partial feature corruption problem. Since the locations of corruptions may differ for different query gaits, relevant features may become irrelevant when walking condition changes. In this case, it is difficult to train one fixed classifier that is robust to a large number of different covariates. To tackle this problem, we propose a classifier ensemble method based on the random subspace Method (RSM) and majority voting (MV). Its theoretical basis suggests it is insensitive to locations of corrupted features, and thus can generalize well to a large number of covariates. We also extend this method by proposing two strategies, i.e, local enhancing (LE) and hybrid decision-level fusion (HDF) to suppress the ratio of false votes to true votes (before MV). The performance of our approach is competitive against the most challenging covariates like clothing, walking surface, and elapsed time. We evaluate our method on the USF dataset and OU-ISIR-B dataset, and it has much higher performance than other state-of-the-art algorithms.

  7. A novel signal compression method based on optimal ensemble empirical mode decomposition for bearing vibration signals

    Science.gov (United States)

    Guo, Wei; Tse, Peter W.

    2013-01-01

    Today, remote machine condition monitoring is popular due to the continuous advancement in wireless communication. Bearing is the most frequently and easily failed component in many rotating machines. To accurately identify the type of bearing fault, large amounts of vibration data need to be collected. However, the volume of transmitted data cannot be too high because the bandwidth of wireless communication is limited. To solve this problem, the data are usually compressed before transmitting to a remote maintenance center. This paper proposes a novel signal compression method that can substantially reduce the amount of data that need to be transmitted without sacrificing the accuracy of fault identification. The proposed signal compression method is based on ensemble empirical mode decomposition (EEMD), which is an effective method for adaptively decomposing the vibration signal into different bands of signal components, termed intrinsic mode functions (IMFs). An optimization method was designed to automatically select appropriate EEMD parameters for the analyzed signal, and in particular to select the appropriate level of the added white noise in the EEMD method. An index termed the relative root-mean-square error was used to evaluate the decomposition performances under different noise levels to find the optimal level. After applying the optimal EEMD method to a vibration signal, the IMF relating to the bearing fault can be extracted from the original vibration signal. Compressing this signal component obtains a much smaller proportion of data samples to be retained for transmission and further reconstruction. The proposed compression method were also compared with the popular wavelet compression method. Experimental results demonstrate that the optimization of EEMD parameters can automatically find appropriate EEMD parameters for the analyzed signals, and the IMF-based compression method provides a higher compression ratio, while retaining the bearing defect

  8. Data assimilation method for fractured reservoirs using mimetic finite differences and ensemble Kalman filter

    KAUST Repository

    Ping, Jing

    2017-05-19

    Optimal management of subsurface processes requires the characterization of the uncertainty in reservoir description and reservoir performance prediction. For fractured reservoirs, the location and orientation of fractures are crucial for predicting production characteristics. With the help of accurate and comprehensive knowledge of fracture distributions, early water/CO 2 breakthrough can be prevented and sweep efficiency can be improved. However, since the rock property fields are highly non-Gaussian in this case, it is a challenge to estimate fracture distributions by conventional history matching approaches. In this work, a method that combines vector-based level-set parameterization technique and ensemble Kalman filter (EnKF) for estimating fracture distributions is presented. Performing the necessary forward modeling is particularly challenging. In addition to the large number of forward models needed, each model is used for sampling of randomly located fractures. Conventional mesh generation for such systems would be time consuming if possible at all. For these reasons, we rely on a novel polyhedral mesh method using the mimetic finite difference (MFD) method. A discrete fracture model is adopted that maintains the full geometry of the fracture network. By using a cut-cell paradigm, a computational mesh for the matrix can be generated quickly and reliably. In this research, we apply this workflow on 2D two-phase fractured reservoirs. The combination of MFD approach, level-set parameterization, and EnKF provides an effective solution to address the challenges in the history matching problem of highly non-Gaussian fractured reservoirs.

  9. An ensemble method for extracting adverse drug events from social media.

    Science.gov (United States)

    Liu, Jing; Zhao, Songzheng; Zhang, Xiaodi

    2016-06-01

    Because adverse drug events (ADEs) are a serious health problem and a leading cause of death, it is of vital importance to identify them correctly and in a timely manner. With the development of Web 2.0, social media has become a large data source for information on ADEs. The objective of this study is to develop a relation extraction system that uses natural language processing techniques to effectively distinguish between ADEs and non-ADEs in informal text on social media. We develop a feature-based approach that utilizes various lexical, syntactic, and semantic features. Information-gain-based feature selection is performed to address high-dimensional features. Then, we evaluate the effectiveness of four well-known kernel-based approaches (i.e., subset tree kernel, tree kernel, shortest dependency path kernel, and all-paths graph kernel) and several ensembles that are generated by adopting different combination methods (i.e., majority voting, weighted averaging, and stacked generalization). All of the approaches are tested using three data sets: two health-related discussion forums and one general social networking site (i.e., Twitter). When investigating the contribution of each feature subset, the feature-based approach attains the best area under the receiver operating characteristics curve (AUC) values, which are 78.6%, 72.2%, and 79.2% on the three data sets. When individual methods are used, we attain the best AUC values of 82.1%, 73.2%, and 77.0% using the subset tree kernel, shortest dependency path kernel, and feature-based approach on the three data sets, respectively. When using classifier ensembles, we achieve the best AUC values of 84.5%, 77.3%, and 84.5% on the three data sets, outperforming the baselines. Our experimental results indicate that ADE extraction from social media can benefit from feature selection. With respect to the effectiveness of different feature subsets, lexical features and semantic features can enhance the ADE extraction

  10. Development of quantification methods for the myocardial blood flow using ensemble independent component analysis for dynamic H215O PET

    International Nuclear Information System (INIS)

    Lee, Byeong Il; Lee, Jae Sung; Lee, Dong Soo; Kang, Won Jun; Lee, Jong Jin; Kim, Soo Jin; Chung, June Key; Lee, Myung Chul; Choi, Seung Jin

    2004-01-01

    Factor analysis and independent component analysis (lCA) has been used for handling dynamic image sequences. Theoretical advantages of a newly suggested ICA method, ensemble ICA, leaded us to consider applying this method to the analysis of dynamic myocardial H 2 15 O PET data. In this study, we quantified patients, blood flow using the ensemble ICA method. Twenty subjects underwent H 2 15 O PET scans using ECAT EXACT 47 scanner and myocardial perfusion SPECT using Vertex scanner. After transmission scanning, dynamic emission scans were initiated simultaneously with the injection of 555∼740 MBq H 2 15 O. Hidden independent components can be extracted from the observed mixed data (PET image) by means of ICA algorithms. Ensemble learning is a variational Bayesian method that provides an analytical approximation to the parameter posterior using a tractable distribution. Variational approximation forms a lower bound on the ensemble likelihood and the maximization of the lower bound is achieved through minimizing the Kullback-Leibler divergence between the true posterior and the variational posterior. In this study, posterior pdf was approximated by a rectified Gaussian distribution to incorporate non-negativity constraint, which is suitable to dynamic images in nuclear medicine. Blood flow was measured in 9 regions - apex, four areas in mid wall, and four areas in base wall. Myocardial perfusion SPECT score and angiography results were compared with the regional blood flow. Major cardiac components were separated successfully by the ensemble ICA method and blood flow could be estimated in 15 among 20 patients. Mean myocardial blood flow was 1.2±0.40 ml/min/g in rest, 1.85±1.12 ml/min/g in stress state. Blood flow values obtained by an operator in two different occasion were highly correlated (r=0.99). In myocardium component image, the image contrast between left ventricle and myocardium was 1:2.7 in average. Perfusion reserve was significantly different between

  11. An efficient method to generate a perturbed parameter ensemble of a fully coupled AOGCM without flux-adjustment

    Directory of Open Access Journals (Sweden)

    P. J. Irvine

    2013-09-01

    Full Text Available We present a simple method to generate a perturbed parameter ensemble (PPE of a fully-coupled atmosphere-ocean general circulation model (AOGCM, HadCM3, without requiring flux-adjustment. The aim was to produce an ensemble that samples parametric uncertainty in some key variables and gives a plausible representation of the climate. Six atmospheric parameters, a sea-ice parameter and an ocean parameter were jointly perturbed within a reasonable range to generate an initial group of 200 members. To screen out implausible ensemble members, 20 yr pre-industrial control simulations were run and members whose temperature responses to the parameter perturbations were projected to be outside the range of 13.6 ± 2 °C, i.e. near to the observed pre-industrial global mean, were discarded. Twenty-one members, including the standard unperturbed model, were accepted, covering almost the entire span of the eight parameters, challenging the argument that without flux-adjustment parameter ranges would be unduly restricted. This ensemble was used in 2 experiments; an 800 yr pre-industrial and a 150 yr quadrupled CO2 simulation. The behaviour of the PPE for the pre-industrial control compared well to ERA-40 reanalysis data and the CMIP3 ensemble for a number of surface and atmospheric column variables with the exception of a few members in the Tropics. However, we find that members of the PPE with low values of the entrainment rate coefficient show very large increases in upper tropospheric and stratospheric water vapour concentrations in response to elevated CO2 and one member showed an implausible nonlinear climate response, and as such will be excluded from future experiments with this ensemble. The outcome of this study is a PPE of a fully-coupled AOGCM which samples parametric uncertainty and a simple methodology which would be applicable to other GCMs.

  12. Statistical properties of many-particle spectra. IV. New ensembles by Stieltjes transform methods

    International Nuclear Information System (INIS)

    Pandey, A.

    1981-01-01

    New Gaussian matrix ensembles, with arbitrary centroids and variances for the matrix elements, are defined as modifications of the three standard ones: GOE, GUE and GSE. The average density and two-point correlation function are given in the general case in terms of the corresponding Stieltjes transforms, first used by Pastur for the density. It is shown for the centroid-modified ensemble K+αH that when the operator K preserves the underlying symmetries of the standard ensemble H, then, as the magnitude of α grows, the transition of the fluctuations to those of H is very rapid and discontinuous in the limit of asymptotic dimensionality. Corresponding results are found for other ensembles. A similar Dyson result for the effects of the breaking of a model symmetry on the fluctuations is generalized to any model symmetry, as well as to the fundamental symmetries such as time-reversed invariance

  13. A DDoS Attack Detection Method Based on Hybrid Heterogeneous Multiclassifier Ensemble Learning

    Directory of Open Access Journals (Sweden)

    Bin Jia

    2017-01-01

    Full Text Available The explosive growth of network traffic and its multitype on Internet have brought new and severe challenges to DDoS attack detection. To get the higher True Negative Rate (TNR, accuracy, and precision and to guarantee the robustness, stability, and universality of detection system, in this paper, we propose a DDoS attack detection method based on hybrid heterogeneous multiclassifier ensemble learning and design a heuristic detection algorithm based on Singular Value Decomposition (SVD to construct our detection system. Experimental results show that our detection method is excellent in TNR, accuracy, and precision. Therefore, our algorithm has good detective performance for DDoS attack. Through the comparisons with Random Forest, k-Nearest Neighbor (k-NN, and Bagging comprising the component classifiers when the three algorithms are used alone by SVD and by un-SVD, it is shown that our model is superior to the state-of-the-art attack detection techniques in system generalization ability, detection stability, and overall detection performance.

  14. Detecting Malware with an Ensemble Method Based on Deep Neural Network

    Directory of Open Access Journals (Sweden)

    Jinpei Yan

    2018-01-01

    Full Text Available Malware detection plays a crucial role in computer security. Recent researches mainly use machine learning based methods heavily relying on domain knowledge for manually extracting malicious features. In this paper, we propose MalNet, a novel malware detection method that learns features automatically from the raw data. Concretely, we first generate a grayscale image from malware file, meanwhile extracting its opcode sequences with the decompilation tool IDA. Then MalNet uses CNN and LSTM networks to learn from grayscale image and opcode sequence, respectively, and takes a stacking ensemble for malware classification. We perform experiments on more than 40,000 samples including 20,650 benign files collected from online software providers and 21,736 malwares provided by Microsoft. The evaluation result shows that MalNet achieves 99.88% validation accuracy for malware detection. In addition, we also take malware family classification experiment on 9 malware families to compare MalNet with other related works, in which MalNet outperforms most of related works with 99.36% detection accuracy and achieves a considerable speed-up on detecting efficiency comparing with two state-of-the-art results on Microsoft malware dataset.

  15. A rapid, ensemble and free energy based method for engineering protein stabilities.

    Science.gov (United States)

    Naganathan, Athi N

    2013-05-02

    Engineering the conformational stabilities of proteins through mutations has immense potential in biotechnological applications. It is, however, an inherently challenging problem given the weak noncovalent nature of the stabilizing interactions. In this regard, we present here a robust and fast strategy to engineer protein stabilities through mutations involving charged residues using a structure-based statistical mechanical model that accounts for the ensemble nature of folding. We validate the method by predicting the absolute changes in stability for 138 experimental mutations from 16 different proteins and enzymes with a correlation of 0.65 and importantly with a success rate of 81%. Multiple point mutants are predicted with a higher success rate (90%) that is validated further by comparing meosphile-thermophile protein pairs. In parallel, we devise a methodology to rapidly engineer mutations in silico which we benchmark against experimental mutations of ubiquitin (correlation of 0.95) and check for its feasibility on a larger therapeutic protein DNase I. We expect the method to be of importance as a first and rapid step to screen for protein mutants with specific stability in the biotechnology industry, in the construction of stability maps at the residue level (i.e., hot spots), and as a robust tool to probe for mutations that enhance the stability of protein-based drugs.

  16. Protein folding simulations by generalized-ensemble algorithms.

    Science.gov (United States)

    Yoda, Takao; Sugita, Yuji; Okamoto, Yuko

    2014-01-01

    In the protein folding problem, conventional simulations in physical statistical mechanical ensembles, such as the canonical ensemble with fixed temperature, face a great difficulty. This is because there exist a huge number of local-minimum-energy states in the system and the conventional simulations tend to get trapped in these states, giving wrong results. Generalized-ensemble algorithms are based on artificial unphysical ensembles and overcome the above difficulty by performing random walks in potential energy, volume, and other physical quantities or their corresponding conjugate parameters such as temperature, pressure, etc. The advantage of generalized-ensemble simulations lies in the fact that they not only avoid getting trapped in states of energy local minima but also allows the calculations of physical quantities as functions of temperature or other parameters from a single simulation run. In this article we review the generalized-ensemble algorithms. Four examples, multicanonical algorithm, replica-exchange method, replica-exchange multicanonical algorithm, and multicanonical replica-exchange method, are described in detail. Examples of their applications to the protein folding problem are presented.

  17. Canonical symplectic particle-in-cell method for long-term large-scale simulations of the Vlasov–Maxwell equations

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Hong; Liu, Jian; Xiao, Jianyuan; Zhang, Ruili; He, Yang; Wang, Yulei; Sun, Yajuan; Burby, Joshua W.; Ellison, Leland; Zhou, Yao

    2015-12-14

    Particle-in-cell (PIC) simulation is the most important numerical tool in plasma physics. However, its long-term accuracy has not been established. To overcome this difficulty, we developed a canonical symplectic PIC method for the Vlasov-Maxwell system by discretising its canonical Poisson bracket. A fast local algorithm to solve the symplectic implicit time advance is discovered without root searching or global matrix inversion, enabling applications of the proposed method to very large-scale plasma simulations with many, e.g. 10(9), degrees of freedom. The long-term accuracy and fidelity of the algorithm enables us to numerically confirm Mouhot and Villani's theory and conjecture on nonlinear Landau damping over several orders of magnitude using the PIC method, and to calculate the nonlinear evolution of the reflectivity during the mode conversion process from extraordinary waves to Bernstein waves.

  18. An Ensemble Method with Integration of Feature Selection and Classifier Selection to Detect the Landslides

    Science.gov (United States)

    Zhongqin, G.; Chen, Y.

    2017-12-01

    Abstract Quickly identify the spatial distribution of landslides automatically is essential for the prevention, mitigation and assessment of the landslide hazard. It's still a challenging job owing to the complicated characteristics and vague boundary of the landslide areas on the image. The high resolution remote sensing image has multi-scales, complex spatial distribution and abundant features, the object-oriented image classification methods can make full use of the above information and thus effectively detect the landslides after the hazard happened. In this research we present a new semi-supervised workflow, taking advantages of recent object-oriented image analysis and machine learning algorithms to quick locate the different origins of landslides of some areas on the southwest part of China. Besides a sequence of image segmentation, feature selection, object classification and error test, this workflow ensemble the feature selection and classifier selection. The feature this study utilized were normalized difference vegetation index (NDVI) change, textural feature derived from the gray level co-occurrence matrices (GLCM), spectral feature and etc. The improvement of this study shows this algorithm significantly removes some redundant feature and the classifiers get fully used. All these improvements lead to a higher accuracy on the determination of the shape of landslides on the high resolution remote sensing image, in particular the flexibility aimed at different kinds of landslides.

  19. An artificial neural network ensemble method for fault diagnosis of proton exchange membrane fuel cell system

    International Nuclear Information System (INIS)

    Shao, Meng; Zhu, Xin-Jian; Cao, Hong-Fei; Shen, Hai-Feng

    2014-01-01

    The commercial viability of PEMFC (proton exchange membrane fuel cell) systems depends on using effective fault diagnosis technologies in PEMFC systems. However, many researchers have experimentally studied PEMFC (proton exchange membrane fuel cell) systems without considering certain fault conditions. In this paper, an ANN (artificial neural network) ensemble method is presented that improves the stability and reliability of the PEMFC systems. In the first part, a transient model giving it flexibility in application to some exceptional conditions is built. The PEMFC dynamic model is built and simulated using MATLAB. In the second, using this model and experiments, the mechanisms of four different faults in PEMFC systems are analyzed in detail. Third, the ANN ensemble for the fault diagnosis is built and modeled. This model is trained and tested by the data. The test result shows that, compared with the previous method for fault diagnosis of PEMFC systems, the proposed fault diagnosis method has higher diagnostic rate and generalization ability. Moreover, the partial structure of this method can be altered easily, along with the change of the PEMFC systems. In general, this method for diagnosis of PEMFC has value for certain applications. - Highlights: • We analyze the principles and mechanisms of the four faults in PEMFC (proton exchange membrane fuel cell) system. • We design and model an ANN (artificial neural network) ensemble method for the fault diagnosis of PEMFC system. • This method has high diagnostic rate and strong generalization ability

  20. A study on reducing update frequency of the forecast samples in the ensemble-based 4DVar data assimilation method

    Energy Technology Data Exchange (ETDEWEB)

    Shao, Aimei; Xu, Daosheng [Lanzhou Univ. (China). Key Lab. of Arid Climatic Changing and Reducing Disaster of Gansu Province; Chinese Academy of Meteorological Sciences, Beijing (China). State Key Lab. of Severe Weather; Qiu, Xiaobin [Lanzhou Univ. (China). Key Lab. of Arid Climatic Changing and Reducing Disaster of Gansu Province; Tianjin Institute of Meteorological Science (China); Qiu, Chongjian [Lanzhou Univ. (China). Key Lab. of Arid Climatic Changing and Reducing Disaster of Gansu Province

    2013-02-15

    In the ensemble-based four dimensional variational assimilation method (SVD-En4DVar), a singular value decomposition (SVD) technique is used to select the leading eigenvectors and the analysis variables are expressed as the orthogonal bases expansion of the eigenvectors. The experiments with a two-dimensional shallow-water equation model and simulated observations show that the truncation error and rejection of observed signals due to the reduced-dimensional reconstruction of the analysis variable are the major factors that damage the analysis when the ensemble size is not large enough. However, a larger-sized ensemble is daunting computational burden. Experiments with a shallow-water equation model also show that the forecast error covariances remain relatively constant over time. For that reason, we propose an approach that increases the members of the forecast ensemble while reducing the update frequency of the forecast error covariance in order to increase analysis accuracy and to reduce the computational cost. A series of experiments were conducted with the shallow-water equation model to test the efficiency of this approach. The experimental results indicate that this approach is promising. Further experiments with the WRF model show that this approach is also suitable for the real atmospheric data assimilation problem, but the update frequency of the forecast error covariances should not be too low. (orig.)

  1. Robust canonical correlations: A comparative study

    OpenAIRE

    Branco, JA; Croux, Christophe; Filzmoser, P; Oliveira, MR

    2005-01-01

    Several approaches for robust canonical correlation analysis will be presented and discussed. A first method is based on the definition of canonical correlation analysis as looking for linear combinations of two sets of variables having maximal (robust) correlation. A second method is based on alternating robust regressions. These methods axe discussed in detail and compared with the more traditional approach to robust canonical correlation via covariance matrix estimates. A simulation study ...

  2. A novel test method for measuring the thermal properties of clothing ensembles under dynamic conditions

    International Nuclear Information System (INIS)

    Wan, X; Fan, J

    2008-01-01

    The dynamic thermal properties of clothing ensembles are important to thermal transient comfort, but have so far not been properly quantified. In this paper, a novel test procedure and new index based on measurements on the sweating fabric manikin-Walter are proposed to quantify and measure the dynamic thermal properties of clothing ensembles. Experiments showed that the new index is correlated to the changing rate of the body temperature of the wearer, which is an important indicator of thermal transient comfort. Clothing ensembles having higher values of the index means the wearer will have a faster changing rate of body temperature and shorter duration before approaching a dangerous thermo-physiological state, when he changes from 'resting' to 'exercising' mode. Clothing should therefore be designed to reduce the value of the index

  3. Regression trees for predicting mortality in patients with cardiovascular disease: What improvement is achieved by using ensemble-based methods?

    Science.gov (United States)

    Austin, Peter C; Lee, Douglas S; Steyerberg, Ewout W; Tu, Jack V

    2012-01-01

    In biomedical research, the logistic regression model is the most commonly used method for predicting the probability of a binary outcome. While many clinical researchers have expressed an enthusiasm for regression trees, this method may have limited accuracy for predicting health outcomes. We aimed to evaluate the improvement that is achieved by using ensemble-based methods, including bootstrap aggregation (bagging) of regression trees, random forests, and boosted regression trees. We analyzed 30-day mortality in two large cohorts of patients hospitalized with either acute myocardial infarction (N = 16,230) or congestive heart failure (N = 15,848) in two distinct eras (1999–2001 and 2004–2005). We found that both the in-sample and out-of-sample prediction of ensemble methods offered substantial improvement in predicting cardiovascular mortality compared to conventional regression trees. However, conventional logistic regression models that incorporated restricted cubic smoothing splines had even better performance. We conclude that ensemble methods from the data mining and machine learning literature increase the predictive performance of regression trees, but may not lead to clear advantages over conventional logistic regression models for predicting short-term mortality in population-based samples of subjects with cardiovascular disease. PMID:22777999

  4. The role of the canonical biplot method in the study of volatile compounds in cheeses of variable composition

    Directory of Open Access Journals (Sweden)

    González-Martín, M. I.

    2016-03-01

    Full Text Available The canonical biplot method (CB is used to determine the discriminatory power of volatile chemical compounds in cheese. These volatile compounds were used as variables in order to differentiate among 6 groups or populations of cheeses (combinations of two seasons (winter and summer with 3 types of cheese (cow, sheep and goat’s milk. We analyzed a total of 17 volatile compounds by means of gas chromatography coupled with mass detection. The compounds included aldehydes and methyl-aldehydes, alcohols (primary, secondary and branched chain, ketones, methyl-ketones and esters in winter (WC and summer (SC cow’s cheeses, winter (WSh and summer (SSh sheep’s cheeses and in winter (WG and summer (SG goat’s cheeses. The CB method allows differences to be found as a function of the elaboration of the cheeses, the seasonality of the milk, and the separation of the six groups of cheeses, characterizing the specific volatile chemical compounds responsible for such differences.El m.todo biplot can.nico (CB se utiliza para determinar el poder discriminatorio de compuestos qu.micos vol.tiles en queso. Los compuestos vol.tiles se utilizan como variables con el fin de diferenciar entre los 6 grupos o poblaciones de quesos (combinaciones de dos temporadas (invierno y verano con 3 tipos de queso (vaca, oveja y cabra. Se analizan un total de 17 compuestos vol.tiles por medio de cromatograf.a de gases acoplada con detecci.n de masas. Los compuestos incluyen aldeh.dos y metil-aldeh.dos, alcoholes (primarios de cadena, secundaria y ramificada, cetonas, metil-cetonas y .steres. Los seis grupos de quesos son, quesos de vaca de invierno (WC y verano (SC; quesos de oveja de invierno (WSh y verano (SSh y quesos de cabra de invierno (WG y verano (SG. El m.todo CB permite la separaci.n de los seis grupos de quesos y encontrar las diferencias en funci.n del tipo y estacionalidad de la leche, caracterizando los compuestos qu.micos vol.tiles espec.ficos responsables de

  5. Multivariable extrapolation of grand canonical free energy landscapes

    Science.gov (United States)

    Mahynski, Nathan A.; Errington, Jeffrey R.; Shen, Vincent K.

    2017-12-01

    We derive an approach for extrapolating the free energy landscape of multicomponent systems in the grand canonical ensemble, obtained from flat-histogram Monte Carlo simulations, from one set of temperature and chemical potentials to another. This is accomplished by expanding the landscape in a Taylor series at each value of the order parameter which defines its macrostate phase space. The coefficients in each Taylor polynomial are known exactly from fluctuation formulas, which may be computed by measuring the appropriate moments of extensive variables that fluctuate in this ensemble. Here we derive the expressions necessary to define these coefficients up to arbitrary order. In principle, this enables a single flat-histogram simulation to provide complete thermodynamic information over a broad range of temperatures and chemical potentials. Using this, we also show how to combine a small number of simulations, each performed at different conditions, in a thermodynamically consistent fashion to accurately compute properties at arbitrary temperatures and chemical potentials. This method may significantly increase the computational efficiency of biased grand canonical Monte Carlo simulations, especially for multicomponent mixtures. Although approximate, this approach is amenable to high-throughput and data-intensive investigations where it is preferable to have a large quantity of reasonably accurate simulation data, rather than a smaller amount with a higher accuracy.

  6. A Hierarchical Method for Transient Stability Prediction of Power Systems Using the Confidence of a SVM-Based Ensemble Classifier

    Directory of Open Access Journals (Sweden)

    Yanzhen Zhou

    2016-09-01

    Full Text Available Machine learning techniques have been widely used in transient stability prediction of power systems. When using the post-fault dynamic responses, it is difficult to draw a definite conclusion about how long the duration of response data used should be in order to balance the accuracy and speed. Besides, previous studies have the problem of lacking consideration for the confidence level. To solve these problems, a hierarchical method for transient stability prediction based on the confidence of ensemble classifier using multiple support vector machines (SVMs is proposed. Firstly, multiple datasets are generated by bootstrap sampling, then features are randomly picked up to compress the datasets. Secondly, the confidence indices are defined and multiple SVMs are built based on these generated datasets. By synthesizing the probabilistic outputs of multiple SVMs, the prediction results and confidence of the ensemble classifier will be obtained. Finally, different ensemble classifiers with different response times are built to construct different layers of the proposed hierarchical scheme. The simulation results show that the proposed hierarchical method can balance the accuracy and rapidity of the transient stability prediction. Moreover, the hierarchical method can reduce the misjudgments of unstable instances and cooperate with the time domain simulation to insure the security and stability of power systems.

  7. A method and software for segmentation of anatomic object ensembles by deformable m-reps

    International Nuclear Information System (INIS)

    Pizer, Stephen M.; Fletcher, P. Thomas; Joshi, Sarang; Gash, A. Graham; Stough, Joshua; Thall, Andrew; Tracton, Gregg; Chaney, Edward L.

    2005-01-01

    Deformable shape models (DSMs) comprise a general approach that shows great promise for automatic image segmentation. Published studies by others and our own research results strongly suggest that segmentation of a normal or near-normal object from 3D medical images will be most successful when the DSM approach uses (1) knowledge of the geometry of not only the target anatomic object but also the ensemble of objects providing context for the target object and (2) knowledge of the image intensities to be expected relative to the geometry of the target and contextual objects. The segmentation will be most efficient when the deformation operates at multiple object-related scales and uses deformations that include not just local translations but the biologically important transformations of bending and twisting, i.e., local rotation, and local magnification. In computer vision an important class of DSM methods uses explicit geometric models in a Bayesian statistical framework to provide a priori information used in posterior optimization to match the DSM against a target image. In this approach a DSM of the object to be segmented is placed in the target image data and undergoes a series of rigid and nonrigid transformations that deform the model to closely match the target object. The deformation process is driven by optimizing an objective function that has terms for the geometric typicality and model-to-image match for each instance of the deformed model. The success of this approach depends strongly on the object representation, i.e., the structural details and parameter set for the DSM, which in turn determines the analytic form of the objective function. This paper describes a form of DSM called m-reps that has or allows these properties, and a method of segmentation consisting of large to small scale posterior optimization of m-reps. Segmentation by deformable m-reps, together with the appropriate data representations, visualizations, and user interface, has been

  8. A method to encapsulate model structural uncertainty in ensemble projections of future climate: EPIC v1.0

    Science.gov (United States)

    Lewis, Jared; Bodeker, Greg E.; Kremser, Stefanie; Tait, Andrew

    2017-12-01

    A method, based on climate pattern scaling, has been developed to expand a small number of projections of fields of a selected climate variable (X) into an ensemble that encapsulates a wide range of indicative model structural uncertainties. The method described in this paper is referred to as the Ensemble Projections Incorporating Climate model uncertainty (EPIC) method. Each ensemble member is constructed by adding contributions from (1) a climatology derived from observations that represents the time-invariant part of the signal; (2) a contribution from forced changes in X, where those changes can be statistically related to changes in global mean surface temperature (Tglobal); and (3) a contribution from unforced variability that is generated by a stochastic weather generator. The patterns of unforced variability are also allowed to respond to changes in Tglobal. The statistical relationships between changes in X (and its patterns of variability) and Tglobal are obtained in a training phase. Then, in an implementation phase, 190 simulations of Tglobal are generated using a simple climate model tuned to emulate 19 different global climate models (GCMs) and 10 different carbon cycle models. Using the generated Tglobal time series and the correlation between the forced changes in X and Tglobal, obtained in the training phase, the forced change in the X field can be generated many times using Monte Carlo analysis. A stochastic weather generator is used to generate realistic representations of weather which include spatial coherence. Because GCMs and regional climate models (RCMs) are less likely to correctly represent unforced variability compared to observations, the stochastic weather generator takes as input measures of variability derived from observations, but also responds to forced changes in climate in a way that is consistent with the RCM projections. This approach to generating a large ensemble of projections is many orders of magnitude more

  9. Sparse calibration of subsurface flow models using nonlinear orthogonal matching pursuit and an iterative stochastic ensemble method

    KAUST Repository

    Elsheikh, Ahmed H.

    2013-06-01

    We introduce a nonlinear orthogonal matching pursuit (NOMP) for sparse calibration of subsurface flow models. Sparse calibration is a challenging problem as the unknowns are both the non-zero components of the solution and their associated weights. NOMP is a greedy algorithm that discovers at each iteration the most correlated basis function with the residual from a large pool of basis functions. The discovered basis (aka support) is augmented across the nonlinear iterations. Once a set of basis functions are selected, the solution is obtained by applying Tikhonov regularization. The proposed algorithm relies on stochastically approximated gradient using an iterative stochastic ensemble method (ISEM). In the current study, the search space is parameterized using an overcomplete dictionary of basis functions built using the K-SVD algorithm. The proposed algorithm is the first ensemble based algorithm that tackels the sparse nonlinear parameter estimation problem. © 2013 Elsevier Ltd.

  10. An Efficient Local Correlation Matrix Decomposition Approach for the Localization Implementation of Ensemble-Based Assimilation Methods

    Science.gov (United States)

    Zhang, Hongqin; Tian, Xiangjun

    2018-04-01

    Ensemble-based data assimilation methods often use the so-called localization scheme to improve the representation of the ensemble background error covariance (Be). Extensive research has been undertaken to reduce the computational cost of these methods by using the localized ensemble samples to localize Be by means of a direct decomposition of the local correlation matrix C. However, the computational costs of the direct decomposition of the local correlation matrix C are still extremely high due to its high dimension. In this paper, we propose an efficient local correlation matrix decomposition approach based on the concept of alternating directions. This approach is intended to avoid direct decomposition of the correlation matrix. Instead, we first decompose the correlation matrix into 1-D correlation matrices in the three coordinate directions, then construct their empirical orthogonal function decomposition at low resolution. This procedure is followed by the 1-D spline interpolation process to transform the above decompositions to the high-resolution grid. Finally, an efficient correlation matrix decomposition is achieved by computing the very similar Kronecker product. We conducted a series of comparison experiments to illustrate the validity and accuracy of the proposed local correlation matrix decomposition approach. The effectiveness of the proposed correlation matrix decomposition approach and its efficient localization implementation of the nonlinear least-squares four-dimensional variational assimilation are further demonstrated by several groups of numerical experiments based on the Advanced Research Weather Research and Forecasting model.

  11. Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

    International Nuclear Information System (INIS)

    Sundararaman, Ravishankar; Goddard, William A. III; Arias, Tomas A.

    2017-01-01

    First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Lastly, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.

  12. Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

    Science.gov (United States)

    Sundararaman, Ravishankar; Goddard, William A.; Arias, Tomas A.

    2017-03-01

    First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Finally, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.

  13. Comparison of standard resampling methods for performance estimation of artificial neural network ensembles

    OpenAIRE

    Green, Michael; Ohlsson, Mattias

    2007-01-01

    Estimation of the generalization performance for classification within the medical applications domain is always an important task. In this study we focus on artificial neural network ensembles as the machine learning technique. We present a numerical comparison between five common resampling techniques: k-fold cross validation (CV), holdout, using three cutoffs, and bootstrap using five different data sets. The results show that CV together with holdout $0.25$ and $0.50$ are the best resampl...

  14. Serbian music criticism in the first half of the twentieth century: Its canon, its method and its educational role

    Directory of Open Access Journals (Sweden)

    Vasić Aleksandar

    2008-01-01

    Full Text Available Serbian music criticism became a subject of professional music critics at the beginning of the twentieth century, after being developed by music amateurs throughout the whole previous century. The Serbian Literary Magazine (1901- 1914, 1920-1941, the forum of the Serbian modernist writers in the early 1900s, had a crucial role in shaping the Serbian music criticism and essayistics of the modern era. The Serbian elite musicians wrote for the SLM and therefore it reflects the most important issues of the early twentieth century Serbian music. The SLM undertook the mission of educating its readers. The music culture of the Serbian public was only recently developed. The public needed an introduction into the most important features of the European music, as well as developing its own taste in music. This paper deals with two aspects of the music criticism in the SLM, in view of its educational role: the problem of virtuosity and the method used by music critics in this magazine. The aesthetic canon of the SLM was marked by decisively negative attitude towards the virtuosity. Mainly concerned by educating the Serbian music public in the spirit of the highest music achievements in Europe, the music writers of the SLM criticized both domestic and foreign performers who favoured virtuosity over the 'essence' of music. Therefore, Niccolò Paganini, Franz Liszt, and even Peter Tchaikowsky with his Violin concerto became the subject of the magazine's criticism. However their attitude towards the interpreters with both musicality and virtuoso technique was always positive. That was evident in the writings on Jan Kubelík. This educational mission also had its effect on the structure of critique writings in the SLM. In their wish to inform the Serbian public on the European music (which they did very professionally, the critics gave much more information on biographies, bibliographies and style of the European composers, than they valued the interpretation

  15. An Enhanced Method to Estimate Heart Rate from Seismocardiography via Ensemble Averaging of Body Movements at Six Degrees of Freedom

    Directory of Open Access Journals (Sweden)

    Hyunwoo Lee

    2018-01-01

    Full Text Available Continuous cardiac monitoring has been developed to evaluate cardiac activity outside of clinical environments due to the advancement of novel instruments. Seismocardiography (SCG is one of the vital components that could develop such a monitoring system. Although SCG has been presented with a lower accuracy, this novel cardiac indicator has been steadily proposed over traditional methods such as electrocardiography (ECG. Thus, it is necessary to develop an enhanced method by combining the significant cardiac indicators. In this study, the six-axis signals of accelerometer and gyroscope were measured and integrated by the L2 normalization and multi-dimensional kineticardiography (MKCG approaches, respectively. The waveforms of accelerometer and gyroscope were standardized and combined via ensemble averaging, and the heart rate was calculated from the dominant frequency. Thirty participants (15 females were asked to stand or sit in relaxed and aroused conditions. Their SCG was measured during the task. As a result, proposed method showed higher accuracy than traditional SCG methods in all measurement conditions. The three main contributions are as follows: (1 the ensemble averaging enhanced heart rate estimation with the benefits of the six-axis signals; (2 the proposed method was compared with the previous SCG method that employs fewer-axis; and (3 the method was tested in various measurement conditions for a more practical application.

  16. NYYD Ensemble

    Index Scriptorium Estoniae

    2002-01-01

    NYYD Ensemble'i duost Traksmann - Lukk E.-S. Tüüri teosega "Symbiosis", mis on salvestatud ka hiljuti ilmunud NYYD Ensemble'i CDle. 2. märtsil Rakvere Teatri väikeses saalis ja 3. märtsil Rotermanni Soolalaos, kavas Tüür, Kaumann, Berio, Reich, Yun, Hauta-aho, Buckinx

  17. Three dimensional canonical transformations

    International Nuclear Information System (INIS)

    Tegmen, A.

    2010-01-01

    A generic construction of canonical transformations is given in three-dimensional phase spaces on which Nambu bracket is imposed. First, the canonical transformations are defined as based on cannonade transformations. Second, it is shown that determination of the generating functions and the transformation itself for given generating function is possible by solving correspondent Pfaffian differential equations. Generating functions of type are introduced and all of them are listed. Infinitesimal canonical transformations are also discussed as the complementary subject. Finally, it is shown that decomposition of canonical transformations is also possible in three-dimensional phase spaces as in the usual two-dimensional ones.

  18. A Noise-Assisted Data Analysis Method for Automatic EOG-Based Sleep Stage Classification Using Ensemble Learning.

    Science.gov (United States)

    Olesen, Alexander Neergaard; Christensen, Julie A E; Sorensen, Helge B D; Jennum, Poul J

    2016-08-01

    Reducing the number of recording modalities for sleep staging research can benefit both researchers and patients, under the condition that they provide as accurate results as conventional systems. This paper investigates the possibility of exploiting the multisource nature of the electrooculography (EOG) signals by presenting a method for automatic sleep staging using the complete ensemble empirical mode decomposition with adaptive noise algorithm, and a random forest classifier. It achieves a high overall accuracy of 82% and a Cohen's kappa of 0.74 indicating substantial agreement between automatic and manual scoring.

  19. A Noise-Assisted Data Analysis Method for Automatic EOG-Based Sleep Stage Classification Using Ensemble Learning

    DEFF Research Database (Denmark)

    Olesen, Alexander Neergaard; Christensen, Julie Anja Engelhard; Sørensen, Helge Bjarup Dissing

    2016-01-01

    Reducing the number of recording modalities for sleep staging research can benefit both researchers and patients, under the condition that they provide as accurate results as conventional systems. This paper investigates the possibility of exploiting the multisource nature of the electrooculography...... (EOG) signals by presenting a method for automatic sleep staging using the complete ensemble empirical mode decomposition with adaptive noise algorithm, and a random forest classifier. It achieves a high overall accuracy of 82% and a Cohen’s kappa of 0.74 indicating substantial agreement between...

  20. A class of energy-based ensembles in Tsallis statistics

    International Nuclear Information System (INIS)

    Chandrashekar, R; Naina Mohammed, S S

    2011-01-01

    A comprehensive investigation is carried out on the class of energy-based ensembles. The eight ensembles are divided into two main classes. In the isothermal class of ensembles the individual members are at the same temperature. A unified framework is evolved to describe the four isothermal ensembles using the currently accepted third constraint formalism. The isothermal–isobaric, grand canonical and generalized ensembles are illustrated through a study of the classical nonrelativistic and extreme relativistic ideal gas models. An exact calculation is possible only in the case of the isothermal–isobaric ensemble. The study of the ideal gas models in the grand canonical and the generalized ensembles has been carried out using a perturbative procedure with the nonextensivity parameter (1 − q) as the expansion parameter. Though all the thermodynamic quantities have been computed up to a particular order in (1 − q) the procedure can be extended up to any arbitrary order in the expansion parameter. In the adiabatic class of ensembles the individual members of the ensemble have the same value of the heat function and a unified formulation to described all four ensembles is given. The nonrelativistic and the extreme relativistic ideal gases are studied in the isoenthalpic–isobaric ensemble, the adiabatic ensemble with number fluctuations and the adiabatic ensemble with number and particle fluctuations

  1. Non-Boltzmann Ensembles and Monte Carlo Simulations

    International Nuclear Information System (INIS)

    Murthy, K. P. N.

    2016-01-01

    Boltzmann sampling based on Metropolis algorithm has been extensively used for simulating a canonical ensemble and for calculating macroscopic properties of a closed system at desired temperatures. An estimate of a mechanical property, like energy, of an equilibrium system, is made by averaging over a large number microstates generated by Boltzmann Monte Carlo methods. This is possible because we can assign a numerical value for energy to each microstate. However, a thermal property like entropy, is not easily accessible to these methods. The reason is simple. We can not assign a numerical value for entropy, to a microstate. Entropy is not a property associated with any single microstate. It is a collective property of all the microstates. Toward calculating entropy and other thermal properties, a non-Boltzmann Monte Carlo technique called Umbrella sampling was proposed some forty years ago. Umbrella sampling has since undergone several metamorphoses and we have now, multi-canonical Monte Carlo, entropic sampling, flat histogram methods, Wang-Landau algorithm etc . This class of methods generates non-Boltzmann ensembles which are un-physical. However, physical quantities can be calculated as follows. First un-weight a microstates of the entropic ensemble; then re-weight it to the desired physical ensemble. Carry out weighted average over the entropic ensemble to estimate physical quantities. In this talk I shall tell you of the most recent non- Boltzmann Monte Carlo method and show how to calculate free energy for a few systems. We first consider estimation of free energy as a function of energy at different temperatures to characterize phase transition in an hairpin DNA in the presence of an unzipping force. Next we consider free energy as a function of order parameter and to this end we estimate density of states g ( E , M ), as a function of both energy E , and order parameter M . This is carried out in two stages. We estimate g ( E ) in the first stage

  2. Ensembl 2004.

    Science.gov (United States)

    Birney, E; Andrews, D; Bevan, P; Caccamo, M; Cameron, G; Chen, Y; Clarke, L; Coates, G; Cox, T; Cuff, J; Curwen, V; Cutts, T; Down, T; Durbin, R; Eyras, E; Fernandez-Suarez, X M; Gane, P; Gibbins, B; Gilbert, J; Hammond, M; Hotz, H; Iyer, V; Kahari, A; Jekosch, K; Kasprzyk, A; Keefe, D; Keenan, S; Lehvaslaiho, H; McVicker, G; Melsopp, C; Meidl, P; Mongin, E; Pettett, R; Potter, S; Proctor, G; Rae, M; Searle, S; Slater, G; Smedley, D; Smith, J; Spooner, W; Stabenau, A; Stalker, J; Storey, R; Ureta-Vidal, A; Woodwark, C; Clamp, M; Hubbard, T

    2004-01-01

    The Ensembl (http://www.ensembl.org/) database project provides a bioinformatics framework to organize biology around the sequences of large genomes. It is a comprehensive and integrated source of annotation of large genome sequences, available via interactive website, web services or flat files. As well as being one of the leading sources of genome annotation, Ensembl is an open source software engineering project to develop a portable system able to handle very large genomes and associated requirements. The facilities of the system range from sequence analysis to data storage and visualization and installations exist around the world both in companies and at academic sites. With a total of nine genome sequences available from Ensembl and more genomes to follow, recent developments have focused mainly on closer integration between genomes and external data.

  3. Ensembl 2017

    OpenAIRE

    Aken, Bronwen L.; Achuthan, Premanand; Akanni, Wasiu; Amode, M. Ridwan; Bernsdorff, Friederike; Bhai, Jyothish; Billis, Konstantinos; Carvalho-Silva, Denise; Cummins, Carla; Clapham, Peter; Gil, Laurent; Gir?n, Carlos Garc?a; Gordon, Leo; Hourlier, Thibaut; Hunt, Sarah E.

    2016-01-01

    Ensembl (www.ensembl.org) is a database and genome browser for enabling research on vertebrate genomes. We import, analyse, curate and integrate a diverse collection of large-scale reference data to create a more comprehensive view of genome biology than would be possible from any individual dataset. Our extensive data resources include evidence-based gene and regulatory region annotation, genome variation and gene trees. An accompanying suite of tools, infrastructure and programmatic access ...

  4. Ensemble Sampling

    OpenAIRE

    Lu, Xiuyuan; Van Roy, Benjamin

    2017-01-01

    Thompson sampling has emerged as an effective heuristic for a broad range of online decision problems. In its basic form, the algorithm requires computing and sampling from a posterior distribution over models, which is tractable only for simple special cases. This paper develops ensemble sampling, which aims to approximate Thompson sampling while maintaining tractability even in the face of complex models such as neural networks. Ensemble sampling dramatically expands on the range of applica...

  5. method to encapsulate model structural uncertainty in ensemble projections of future climate: EPIC v1.0

    Directory of Open Access Journals (Sweden)

    J. Lewis

    2017-12-01

    Full Text Available A method, based on climate pattern scaling, has been developed to expand a small number of projections of fields of a selected climate variable (X into an ensemble that encapsulates a wide range of indicative model structural uncertainties. The method described in this paper is referred to as the Ensemble Projections Incorporating Climate model uncertainty (EPIC method. Each ensemble member is constructed by adding contributions from (1 a climatology derived from observations that represents the time-invariant part of the signal; (2 a contribution from forced changes in X, where those changes can be statistically related to changes in global mean surface temperature (Tglobal; and (3 a contribution from unforced variability that is generated by a stochastic weather generator. The patterns of unforced variability are also allowed to respond to changes in Tglobal. The statistical relationships between changes in X (and its patterns of variability and Tglobal are obtained in a training phase. Then, in an implementation phase, 190 simulations of Tglobal are generated using a simple climate model tuned to emulate 19 different global climate models (GCMs and 10 different carbon cycle models. Using the generated Tglobal time series and the correlation between the forced changes in X and Tglobal, obtained in the training phase, the forced change in the X field can be generated many times using Monte Carlo analysis. A stochastic weather generator is used to generate realistic representations of weather which include spatial coherence. Because GCMs and regional climate models (RCMs are less likely to correctly represent unforced variability compared to observations, the stochastic weather generator takes as input measures of variability derived from observations, but also responds to forced changes in climate in a way that is consistent with the RCM projections. This approach to generating a large ensemble of projections is many orders of

  6. Variations Method to Solve Terminal Problems for the Second Order Systems of Canonical Form with State Constraints

    Directory of Open Access Journals (Sweden)

    T. S. Kasatkina

    2015-01-01

    Full Text Available Terminal control problem with fixed finite time for the second order affine systems with state constraints is considered. A solution of such terminal problem is suggested for the systems with scalar control of regular canonical form.In this article it is shown that the initial terminal problem is equivalent to the problem of auxiliary function search. This function should satisfy some conditions. Such function design consists of two stages. The first stage includes search of function which corresponds the solution of the terminal control problem without state constraints. This function is designed as polynom of the fifth power which depends on time variable. Coefficients of the polynom are defined by boundary conditions. The second stage includes modification of designed function if corresponding to that function trajectory is not satisfied constraints. Modification process is realized by adding to the current function supplementary polynom. Influence of that polynom handles by variation of a parameter value. Modification process can include a few iterations. After process termination continuous control is found. This control is the solution of the initial terminal prUsing presented scheme the terminal control problem for system, which describes oscillations of the mathematical pendulum, is solved. This approach can be used for the solution of terminal control problems with state constraints for affine systems with multi-dimensional control.

  7. Canonical statistics of trapped ideal and interacting Bose gases

    International Nuclear Information System (INIS)

    Xiong Hongwei; Liu Shujuan; Huang Guoxiang; Xu Zaixin

    2002-01-01

    The mean ground-state occupation number and condensate fluctuations of interacting and noninteracting Bose gases confined in a harmonic trap are considered by using a canonical ensemble approach. To obtain the mean ground-state occupation number and the condensate fluctuations, an analytical description for the probability distribution function of the condensate is provided directly starting from the analysis of the partition function of the system. For the ideal Bose gas, the probability distribution function is found to be a Gaussian one for the case of the harmonic trap. For the interacting Bose gas, using a unified approach the condensate fluctuations are calculated based on the lowest-order perturbation method and on Bogoliubov theory. It is found that the condensate fluctuations based on the lowest-order perturbation theory follow the law 2 N 0 >∼N, while the fluctuations based on Bogoliubov theory behave as N 4/3

  8. El canon literario peruano

    Directory of Open Access Journals (Sweden)

    Carlos García-Bedoya Maguiña

    2011-05-01

    Full Text Available Canon es un concepto clave en la historia literaria. En el presente artículo,se revisa la evolución histórica del canon literario peruano. Es solo con la llamada República Aristocrática, en las primeras décadas del siglo XX, que cabe hablar en el caso peruano de la formación de un auténtico canon nacional. El autor denomina a esta primera versión del canon literario peruano como canon oligárquico y destaca la importancia de la obra de Riva Agüero y de Ventura García Calderón en su configuración. Es solo más tarde, desde los años 20 y de modo definitivo desde los años 50, que puede hablarse de la emergencia de un nuevo canon literarioal que el autor propone determinar canon posoligárquico.

  9. Dynamic principle for ensemble control tools.

    Science.gov (United States)

    Samoletov, A; Vasiev, B

    2017-11-28

    Dynamical equations describing physical systems in contact with a thermal bath are commonly extended by mathematical tools called "thermostats." These tools are designed for sampling ensembles in statistical mechanics. Here we propose a dynamic principle underlying a range of thermostats which is derived using fundamental laws of statistical physics and ensures invariance of the canonical measure. The principle covers both stochastic and deterministic thermostat schemes. Our method has a clear advantage over a range of proposed and widely used thermostat schemes that are based on formal mathematical reasoning. Following the derivation of the proposed principle, we show its generality and illustrate its applications including design of temperature control tools that differ from the Nosé-Hoover-Langevin scheme.

  10. Invariant methods for an ensemble-based sensitivity analysis of a passive containment cooling system of an AP1000 nuclear power plant

    International Nuclear Information System (INIS)

    Di Maio, Francesco; Nicola, Giancarlo; Borgonovo, Emanuele; Zio, Enrico

    2016-01-01

    Sensitivity Analysis (SA) is performed to gain fundamental insights on a system behavior that is usually reproduced by a model and to identify the most relevant input variables whose variations affect the system model functional response. For the reliability analysis of passive safety systems of Nuclear Power Plants (NPPs), models are Best Estimate (BE) Thermal Hydraulic (TH) codes, that predict the system functional response in normal and accidental conditions and, in this paper, an ensemble of three alternative invariant SA methods is innovatively set up for a SA on the TH code input variables. The ensemble aggregates the input variables raking orders provided by Pearson correlation ratio, Delta method and Beta method. The capability of the ensemble is shown on a BE–TH code of the Passive Containment Cooling System (PCCS) of an Advanced Pressurized water reactor AP1000, during a Loss Of Coolant Accident (LOCA), whose output probability density function (pdf) is approximated by a Finite Mixture Model (FMM), on the basis of a limited number of simulations. - Highlights: • We perform the reliability analysis of a passive safety system of Nuclear Power Plant (NPP). • We use a Thermal Hydraulic (TH) code for predicting the NPP response to accidents. • We propose an ensemble of Invariant Methods for the sensitivity analysis of the TH code • The ensemble aggregates the rankings of Pearson correlation, Delta and Beta methods. • The approach is tested on a Passive Containment Cooling System of an AP1000 NPP.

  11. Technical Note: Measuring contrast- and noise-dependent spatial resolution of an iterative reconstruction method in CT using ensemble averaging

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Lifeng, E-mail: yu.lifeng@mayo.edu; Vrieze, Thomas J.; Leng, Shuai; Fletcher, Joel G.; McCollough, Cynthia H. [Department of Radiology, Mayo Clinic, Rochester, Minnesota 55905 (United States)

    2015-05-15

    Purpose: The spatial resolution of iterative reconstruction (IR) in computed tomography (CT) is contrast- and noise-dependent because of the nonlinear regularization. Due to the severe noise contamination, it is challenging to perform precise spatial-resolution measurements at very low-contrast levels. The purpose of this study was to measure the spatial resolution of a commercially available IR method using ensemble-averaged images acquired from repeated scans. Methods: A low-contrast phantom containing three rods (7, 14, and 21 HU below background) was scanned on a 128-slice CT scanner at three dose levels (CTDI{sub vol} = 16, 8, and 4 mGy). Images were reconstructed using two filtered-backprojection (FBP) kernels (B40 and B20) and a commercial IR method (sinogram affirmed iterative reconstruction, SAFIRE, Siemens Healthcare) with two strength settings (I40-3 and I40-5). The same scan was repeated 100 times at each dose level. The modulation transfer function (MTF) was calculated based on the edge profile measured on the ensemble-averaged images. Results: The spatial resolution of the two FBP kernels, B40 and B20, remained relatively constant across contrast and dose levels. However, the spatial resolution of the two IR kernels degraded relative to FBP as contrast or dose level decreased. For a given dose level at 16 mGy, the MTF{sub 50%} value normalized to the B40 kernel decreased from 98.4% at 21 HU to 88.5% at 7 HU for I40-3 and from 97.6% to 82.1% for I40-5. At 21 HU, the relative MTF{sub 50%} value decreased from 98.4% at 16 mGy to 90.7% at 4 mGy for I40-3 and from 97.6% to 85.6% for I40-5. Conclusions: A simple technique using ensemble averaging from repeated CT scans can be used to measure the spatial resolution of IR techniques in CT at very low contrast levels. The evaluated IR method degraded the spatial resolution at low contrast and high noise levels.

  12. ArrayMining: a modular web-application for microarray analysis combining ensemble and consensus methods with cross-study normalization

    Directory of Open Access Journals (Sweden)

    Krasnogor Natalio

    2009-10-01

    Full Text Available Abstract Background Statistical analysis of DNA microarray data provides a valuable diagnostic tool for the investigation of genetic components of diseases. To take advantage of the multitude of available data sets and analysis methods, it is desirable to combine both different algorithms and data from different studies. Applying ensemble learning, consensus clustering and cross-study normalization methods for this purpose in an almost fully automated process and linking different analysis modules together under a single interface would simplify many microarray analysis tasks. Results We present ArrayMining.net, a web-application for microarray analysis that provides easy access to a wide choice of feature selection, clustering, prediction, gene set analysis and cross-study normalization methods. In contrast to other microarray-related web-tools, multiple algorithms and data sets for an analysis task can be combined using ensemble feature selection, ensemble prediction, consensus clustering and cross-platform data integration. By interlinking different analysis tools in a modular fashion, new exploratory routes become available, e.g. ensemble sample classification using features obtained from a gene set analysis and data from multiple studies. The analysis is further simplified by automatic parameter selection mechanisms and linkage to web tools and databases for functional annotation and literature mining. Conclusion ArrayMining.net is a free web-application for microarray analysis combining a broad choice of algorithms based on ensemble and consensus methods, using automatic parameter selection and integration with annotation databases.

  13. Ensembl variation resources

    Directory of Open Access Journals (Sweden)

    Marin-Garcia Pablo

    2010-05-01

    Full Text Available Abstract Background The maturing field of genomics is rapidly increasing the number of sequenced genomes and producing more information from those previously sequenced. Much of this additional information is variation data derived from sampling multiple individuals of a given species with the goal of discovering new variants and characterising the population frequencies of the variants that are already known. These data have immense value for many studies, including those designed to understand evolution and connect genotype to phenotype. Maximising the utility of the data requires that it be stored in an accessible manner that facilitates the integration of variation data with other genome resources such as gene annotation and comparative genomics. Description The Ensembl project provides comprehensive and integrated variation resources for a wide variety of chordate genomes. This paper provides a detailed description of the sources of data and the methods for creating the Ensembl variation databases. It also explores the utility of the information by explaining the range of query options available, from using interactive web displays, to online data mining tools and connecting directly to the data servers programmatically. It gives a good overview of the variation resources and future plans for expanding the variation data within Ensembl. Conclusions Variation data is an important key to understanding the functional and phenotypic differences between individuals. The development of new sequencing and genotyping technologies is greatly increasing the amount of variation data known for almost all genomes. The Ensembl variation resources are integrated into the Ensembl genome browser and provide a comprehensive way to access this data in the context of a widely used genome bioinformatics system. All Ensembl data is freely available at http://www.ensembl.org and from the public MySQL database server at ensembldb.ensembl.org.

  14. Classifying Linear Canonical Relations

    OpenAIRE

    Lorand, Jonathan

    2015-01-01

    In this Master's thesis, we consider the problem of classifying, up to conjugation by linear symplectomorphisms, linear canonical relations (lagrangian correspondences) from a finite-dimensional symplectic vector space to itself. We give an elementary introduction to the theory of linear canonical relations and present partial results toward the classification problem. This exposition should be accessible to undergraduate students with a basic familiarity with linear algebra.

  15. An introduction to the theory of canonical matrices

    CERN Document Server

    Turnbull, H W

    2004-01-01

    Thorough and self-contained, this penetrating study of the theory of canonical matrices presents a detailed consideration of all the theory's principal features. Topics include elementary transformations and bilinear and quadratic forms; canonical reduction of equivalent matrices; subgroups of the group of equivalent transformations; and rational and classical canonical forms. The final chapters explore several methods of canonical reduction, including those of unitary and orthogonal transformations. 1952 edition. Index. Appendix. Historical notes. Bibliographies. 275 problems.

  16. Relations between canonical and non-canonical inflation

    Energy Technology Data Exchange (ETDEWEB)

    Gwyn, Rhiannon [Max-Planck-Institut fuer Gravitationsphysik (Albert-Einstein-Institut), Potsdam (Germany); Rummel, Markus [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Westphal, Alexander [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group

    2012-12-15

    We look for potential observational degeneracies between canonical and non-canonical models of inflation of a single field {phi}. Non-canonical inflationary models are characterized by higher than linear powers of the standard kinetic term X in the effective Lagrangian p(X,{phi}) and arise for instance in the context of the Dirac-Born-Infeld (DBI) action in string theory. An on-shell transformation is introduced that transforms non-canonical inflationary theories to theories with a canonical kinetic term. The 2-point function observables of the original non-canonical theory and its canonical transform are found to match in the case of DBI inflation.

  17. Conditions for equivalence of statistical ensembles in nuclear multifragmentation

    International Nuclear Information System (INIS)

    Mallik, Swagata; Chaudhuri, Gargi

    2012-01-01

    Statistical models based on canonical and grand canonical ensembles are extensively used to study intermediate energy heavy-ion collisions. The underlying physical assumption behind canonical and grand canonical models is fundamentally different, and in principle agree only in the thermodynamical limit when the number of particles become infinite. Nevertheless, we show that these models are equivalent in the sense that they predict similar results if certain conditions are met even for finite nuclei. In particular, the results converge when nuclear multifragmentation leads to the formation of predominantly nucleons and low mass clusters. The conditions under which the equivalence holds are amenable to present day experiments.

  18. Ensemble inequivalence: Landau theory and the ABC model

    International Nuclear Information System (INIS)

    Cohen, O; Mukamel, D

    2012-01-01

    It is well known that systems with long-range interactions may exhibit different phase diagrams when studied within two different ensembles. In many of the previously studied examples of ensemble inequivalence, the phase diagrams differ only when the transition in one of the ensembles is first order. By contrast, in a recent study of a generalized ABC model, the canonical and grand-canonical ensembles of the model were shown to differ even when they both exhibit a continuous transition. Here we show that the order of the transition where ensemble inequivalence may occur is related to the symmetry properties of the order parameter associated with the transition. This is done by analyzing the Landau expansion of a generic model with long-range interactions. The conclusions drawn from the generic analysis are demonstrated for the ABC model by explicit calculation of its Landau expansion. (paper)

  19. Simulating the reactions of CO2 in aqueous monoethanolamine solution by reaction ensemble Monte Carlo using the continuous fractional component method

    NARCIS (Netherlands)

    Balaji, S.P.; Gangarapu, S.; Ramdin, M.; Torres-Knoop, A.; Zuilhof, H.; Goetheer, E.L.V.; Dubbeldam, D.; Vlugt, T.J.H.

    2015-01-01

    Molecular simulations were used to compute the equilibrium concentrations of the different species in CO2/monoethanolamine solutions for different CO2 loadings. Simulations were performed in the Reaction Ensemble using the continuous fractional component Monte Carlo method at temperatures of 293,

  20. Multilevel ensemble Kalman filtering

    KAUST Repository

    Hoel, Haakon

    2016-01-08

    The ensemble Kalman filter (EnKF) is a sequential filtering method that uses an ensemble of particle paths to estimate the means and covariances required by the Kalman filter by the use of sample moments, i.e., the Monte Carlo method. EnKF is often both robust and efficient, but its performance may suffer in settings where the computational cost of accurate simulations of particles is high. The multilevel Monte Carlo method (MLMC) is an extension of classical Monte Carlo methods which by sampling stochastic realizations on a hierarchy of resolutions may reduce the computational cost of moment approximations by orders of magnitude. In this work we have combined the ideas of MLMC and EnKF to construct the multilevel ensemble Kalman filter (MLEnKF) for the setting of finite dimensional state and observation spaces. The main ideas of this method is to compute particle paths on a hierarchy of resolutions and to apply multilevel estimators on the ensemble hierarchy of particles to compute Kalman filter means and covariances. Theoretical results and a numerical study of the performance gains of MLEnKF over EnKF will be presented. Some ideas on the extension of MLEnKF to settings with infinite dimensional state spaces will also be presented.

  1. Multilevel ensemble Kalman filtering

    KAUST Repository

    Hoel, Haakon; Chernov, Alexey; Law, Kody; Nobile, Fabio; Tempone, Raul

    2016-01-01

    The ensemble Kalman filter (EnKF) is a sequential filtering method that uses an ensemble of particle paths to estimate the means and covariances required by the Kalman filter by the use of sample moments, i.e., the Monte Carlo method. EnKF is often both robust and efficient, but its performance may suffer in settings where the computational cost of accurate simulations of particles is high. The multilevel Monte Carlo method (MLMC) is an extension of classical Monte Carlo methods which by sampling stochastic realizations on a hierarchy of resolutions may reduce the computational cost of moment approximations by orders of magnitude. In this work we have combined the ideas of MLMC and EnKF to construct the multilevel ensemble Kalman filter (MLEnKF) for the setting of finite dimensional state and observation spaces. The main ideas of this method is to compute particle paths on a hierarchy of resolutions and to apply multilevel estimators on the ensemble hierarchy of particles to compute Kalman filter means and covariances. Theoretical results and a numerical study of the performance gains of MLEnKF over EnKF will be presented. Some ideas on the extension of MLEnKF to settings with infinite dimensional state spaces will also be presented.

  2. Statistical ensembles in quantum mechanics

    International Nuclear Information System (INIS)

    Blokhintsev, D.

    1976-01-01

    The interpretation of quantum mechanics presented in this paper is based on the concept of quantum ensembles. This concept differs essentially from the canonical one by that the interference of the observer into the state of a microscopic system is of no greater importance than in any other field of physics. Owing to this fact, the laws established by quantum mechanics are not of less objective character than the laws governing classical statistical mechanics. The paradoxical nature of some statements of quantum mechanics which result from the interpretation of the wave functions as the observer's notebook greatly stimulated the development of the idea presented. (Auth.)

  3. Ensemble approach combining multiple methods improves human transcription start site prediction.

    LENUS (Irish Health Repository)

    Dineen, David G

    2010-01-01

    The computational prediction of transcription start sites is an important unsolved problem. Some recent progress has been made, but many promoters, particularly those not associated with CpG islands, are still difficult to locate using current methods. These methods use different features and training sets, along with a variety of machine learning techniques and result in different prediction sets.

  4. Unified correspondence and canonicity

    NARCIS (Netherlands)

    Zhao, Z.

    2018-01-01

    Correspondence theory originally arises as the study of the relation between modal formulas and first-order formulas interpreted over Kripke frames. We say that a modal formula and a first-order formula correspond to each other if they are valid on the same class of Kripke frames. Canonicity theory

  5. Canonical variate regression.

    Science.gov (United States)

    Luo, Chongliang; Liu, Jin; Dey, Dipak K; Chen, Kun

    2016-07-01

    In many fields, multi-view datasets, measuring multiple distinct but interrelated sets of characteristics on the same set of subjects, together with data on certain outcomes or phenotypes, are routinely collected. The objective in such a problem is often two-fold: both to explore the association structures of multiple sets of measurements and to develop a parsimonious model for predicting the future outcomes. We study a unified canonical variate regression framework to tackle the two problems simultaneously. The proposed criterion integrates multiple canonical correlation analysis with predictive modeling, balancing between the association strength of the canonical variates and their joint predictive power on the outcomes. Moreover, the proposed criterion seeks multiple sets of canonical variates simultaneously to enable the examination of their joint effects on the outcomes, and is able to handle multivariate and non-Gaussian outcomes. An efficient algorithm based on variable splitting and Lagrangian multipliers is proposed. Simulation studies show the superior performance of the proposed approach. We demonstrate the effectiveness of the proposed approach in an [Formula: see text] intercross mice study and an alcohol dependence study. © The Author 2016. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  6. Sparse calibration of subsurface flow models using nonlinear orthogonal matching pursuit and an iterative stochastic ensemble method

    KAUST Repository

    Elsheikh, Ahmed H.; Wheeler, Mary Fanett; Hoteit, Ibrahim

    2013-01-01

    is parameterized using an overcomplete dictionary of basis functions built using the K-SVD algorithm. The proposed algorithm is the first ensemble based algorithm that tackels the sparse nonlinear parameter estimation problem. © 2013 Elsevier Ltd.

  7. Simulated Tempering Distributed Replica Sampling, Virtual Replica Exchange, and Other Generalized-Ensemble Methods for Conformational Sampling.

    Science.gov (United States)

    Rauscher, Sarah; Neale, Chris; Pomès, Régis

    2009-10-13

    Generalized-ensemble algorithms in temperature space have become popular tools to enhance conformational sampling in biomolecular simulations. A random walk in temperature leads to a corresponding random walk in potential energy, which can be used to cross over energetic barriers and overcome the problem of quasi-nonergodicity. In this paper, we introduce two novel methods: simulated tempering distributed replica sampling (STDR) and virtual replica exchange (VREX). These methods are designed to address the practical issues inherent in the replica exchange (RE), simulated tempering (ST), and serial replica exchange (SREM) algorithms. RE requires a large, dedicated, and homogeneous cluster of CPUs to function efficiently when applied to complex systems. ST and SREM both have the drawback of requiring extensive initial simulations, possibly adaptive, for the calculation of weight factors or potential energy distribution functions. STDR and VREX alleviate the need for lengthy initial simulations, and for synchronization and extensive communication between replicas. Both methods are therefore suitable for distributed or heterogeneous computing platforms. We perform an objective comparison of all five algorithms in terms of both implementation issues and sampling efficiency. We use disordered peptides in explicit water as test systems, for a total simulation time of over 42 μs. Efficiency is defined in terms of both structural convergence and temperature diffusion, and we show that these definitions of efficiency are in fact correlated. Importantly, we find that ST-based methods exhibit faster temperature diffusion and correspondingly faster convergence of structural properties compared to RE-based methods. Within the RE-based methods, VREX is superior to both SREM and RE. On the basis of our observations, we conclude that ST is ideal for simple systems, while STDR is well-suited for complex systems.

  8. A Cutting Pattern Recognition Method for Shearers Based on Improved Ensemble Empirical Mode Decomposition and a Probabilistic Neural Network

    Directory of Open Access Journals (Sweden)

    Jing Xu

    2015-10-01

    Full Text Available In order to guarantee the stable operation of shearers and promote construction of an automatic coal mining working face, an online cutting pattern recognition method with high accuracy and speed based on Improved Ensemble Empirical Mode Decomposition (IEEMD and Probabilistic Neural Network (PNN is proposed. An industrial microphone is installed on the shearer and the cutting sound is collected as the recognition criterion to overcome the disadvantages of giant size, contact measurement and low identification rate of traditional detectors. To avoid end-point effects and get rid of undesirable intrinsic mode function (IMF components in the initial signal, IEEMD is conducted on the sound. The end-point continuation based on the practical storage data is performed first to overcome the end-point effect. Next the average correlation coefficient, which is calculated by the correlation of the first IMF with others, is introduced to select essential IMFs. Then the energy and standard deviation of the reminder IMFs are extracted as features and PNN is applied to classify the cutting patterns. Finally, a simulation example, with an accuracy of 92.67%, and an industrial application prove the efficiency and correctness of the proposed method.

  9. A Color-locus Method for Mapping R V Using Ensembles of Stars

    Science.gov (United States)

    Lee, Albert; Green, Gregory M.; Schlafly, Edward F.; Finkbeiner, Douglas P.; Burgett, William; Chambers, Ken; Flewelling, Heather; Hodapp, Klaus; Kaiser, Nick; Kudritzki, Rolf-Peter; Magnier, Eugene; Metcalfe, Nigel; Wainscoat, Richard; Waters, Christopher

    2018-02-01

    We present a simple but effective technique for measuring angular variation in R V across the sky. We divide stars from the Pan-STARRS1 catalog into Healpix pixels and determine the posterior distribution of reddening and R V for each pixel using two independent Monte Carlo methods. We find the two methods to be self-consistent in the limits where they are expected to perform similarly. We also find some agreement with high-precision photometric studies of R V in Perseus and Ophiuchus, as well as with a map of reddening near the Galactic plane based on stellar spectra from APOGEE. While current studies of R V are mostly limited to isolated clouds, we have developed a systematic method for comparing R V values for the majority of observable dust. This is a proof of concept for a more rigorous Galactic reddening map.

  10. Hybrid Levenberg–Marquardt and Weak-Constraint Ensemble Kalman Smoother Method

    Czech Academy of Sciences Publication Activity Database

    Mandel, Jan; Bergou, E.; Gürol, S.; Gratton, S.; Kasanický, Ivan

    2016-01-01

    Roč. 23, č. 2 (2016), s. 59-73 ISSN 1023-5809 R&D Projects: GA ČR GA13-34856S Institutional support: RVO:67985807 Keywords : data assimilation * numerical methods * Kalman filter Subject RIV: IN - Informatics, Computer Science Impact factor: 1.329, year: 2016

  11. Optimized expanded ensembles for simulations involving molecular insertions and deletions. II. Open systems

    Science.gov (United States)

    Escobedo, Fernando A.

    2007-11-01

    In the Grand Canonical, osmotic, and Gibbs ensembles, chemical potential equilibrium is attained via transfers of molecules between the system and either a reservoir or another subsystem. In this work, the expanded ensemble (EXE) methods described in part I [F. A. Escobedo and F. J. Martínez-Veracoechea, J. Chem. Phys. 127, 174103 (2007)] of this series are extended to these ensembles to overcome the difficulties associated with implementing such whole-molecule transfers. In EXE, such moves occur via a target molecule that undergoes transitions through a number of intermediate coupling states. To minimize the tunneling time between the fully coupled and fully decoupled states, the intermediate states could be either: (i) sampled with an optimal frequency distribution (the sampling problem) or (ii) selected with an optimal spacing distribution (staging problem). The sampling issue is addressed by determining the biasing weights that would allow generating an optimal ensemble; discretized versions of this algorithm (well suited for small number of coupling stages) are also presented. The staging problem is addressed by selecting the intermediate stages in such a way that a flat histogram is the optimized ensemble. The validity of the advocated methods is demonstrated by their application to two model problems, the solvation of large hard spheres into a fluid of small and large spheres, and the vapor-liquid equilibrium of a chain system.

  12. Ensemble Learning Method for Outlier Detection and its Application to Astronomical Light Curves

    Science.gov (United States)

    Nun, Isadora; Protopapas, Pavlos; Sim, Brandon; Chen, Wesley

    2016-09-01

    Outlier detection is necessary for automated data analysis, with specific applications spanning almost every domain from financial markets to epidemiology to fraud detection. We introduce a novel mixture of the experts outlier detection model, which uses a dynamically trained, weighted network of five distinct outlier detection methods. After dimensionality reduction, individual outlier detection methods score each data point for “outlierness” in this new feature space. Our model then uses dynamically trained parameters to weigh the scores of each method, allowing for a finalized outlier score. We find that the mixture of experts model performs, on average, better than any single expert model in identifying both artificially and manually picked outliers. This mixture model is applied to a data set of astronomical light curves, after dimensionality reduction via time series feature extraction. Our model was tested using three fields from the MACHO catalog and generated a list of anomalous candidates. We confirm that the outliers detected using this method belong to rare classes, like Novae, He-burning, and red giant stars; other outlier light curves identified have no available information associated with them. To elucidate their nature, we created a website containing the light-curve data and information about these objects. Users can attempt to classify the light curves, give conjectures about their identities, and sign up for follow up messages about the progress made on identifying these objects. This user submitted data can be used further train of our mixture of experts model. Our code is publicly available to all who are interested.

  13. Quaternion Linear Canonical Transform Application

    OpenAIRE

    Bahri, Mawardi

    2015-01-01

    Quaternion linear canonical transform (QLCT) is a generalization of the classical linear canonical transfom (LCT) using quaternion algebra. The focus of this paper is to introduce an application of the QLCT to study of generalized swept-frequency filter

  14. Canonical transformations and generating functionals

    NARCIS (Netherlands)

    Broer, L.J.F.; Kobussen, J.A.

    1972-01-01

    It is shown that canonical transformations for field variables in hamiltonian partial differential equations can be obtained from generating functionals in the same way as classical canonical transformations from generating functions. A simple proof of the relation between infinitesimal invariant

  15. Determination of the Absolute Enantiomeric Excess of the Carbon Nanotube Ensemble by Symmetry Breaking Using the Optical Titration Method.

    Science.gov (United States)

    Sim, Jinsook; Kim, Somin; Jang, Myungsu; Park, Minsuk; Oh, Hyunkyu; Ju, Sang-Yong

    2017-10-17

    Symmetry breaking of single-walled carbon nanotubes (SWNTs) has profound effects on their optoelectronic properties that are essential for fundamental study and applications. Here, we show that isomeric SWNTs that exhibit identical photoluminescence (PL) undergo symmetry breaking by flavin mononucleotide (FMN) and exhibit dual PLs and different binding affinities (K a ). Increasing the FMN concentration leads to systematic PL shifts of SWNTs according to structural modality and handedness due to symmetry breaking. Density gradient ultracentrifugation using a FMN-SWNT dispersion displays PL shifts and different densities according to SWNT handedness. Using the optical titration method to determine the PL-based K a of SWNTs against an achiral surfactant as a titrant, left- and right-handed SWNTs display two-step PL inflection corresponding to respective K a values with FMN, which leads to the determination of the enantiomeric excess (ee) of the SWNT ensemble that was confirmed by circular dichroism measurement. Decreasing the FMN concentration for the SWNT dispersion leads to enantiomeric selection of SWNTs. The titration-based ee determination of the widely used sodium cholate-based SWNT dispersion was also demonstrated by using FMN as a cosurfactant.

  16. A composite state method for ensemble data assimilation with multiple limited-area models

    Directory of Open Access Journals (Sweden)

    Matthew Kretschmer

    2015-04-01

    Full Text Available Limited-area models (LAMs allow high-resolution forecasts to be made for geographic regions of interest when resources are limited. Typically, boundary conditions for these models are provided through one-way boundary coupling from a coarser resolution global model. Here, data assimilation is considered in a situation in which a global model supplies boundary conditions to multiple LAMs. The data assimilation method presented combines information from all of the models to construct a single ‘composite state’, on which data assimilation is subsequently performed. The analysis composite state is then used to form the initial conditions of the global model and all of the LAMs for the next forecast cycle. The method is tested by using numerical experiments with simple, chaotic models. The results of the experiments show that there is a clear forecast benefit to allowing LAM states to influence one another during the analysis. In addition, adding LAM information at analysis time has a strong positive impact on global model forecast performance, even at points not covered by the LAMs.

  17. Whose Canon? Culturalization versus Democratization

    Directory of Open Access Journals (Sweden)

    Erling Bjurström

    2012-06-01

    Full Text Available Current accounts – and particularly the critique – of canon formation are primarily based on some form of identity politics. In the 20th century a representational model of social identities replaced cultivation as the primary means to democratize the canons of the fine arts. In a parallel development, the discourse on canons has shifted its focus from processes of inclusion to those of exclusion. This shift corresponds, on the one hand, to the construction of so-called alternative canons or counter-canons, and, on the other hand, to attempts to restore the authority of canons considered to be in a state of crisis or decaying. Regardless of the democratic stance of these efforts, the construction of alternatives or the reestablishment of decaying canons does not seem to achieve their aims, since they break with the explicit and implicit rules of canon formation. Politically motivated attempts to revise or restore a specific canon make the workings of canon formation too visible, transparent and calculated, thereby breaking the spell of its imaginary character. Retracing the history of the canonization of the fine arts reveals that it was originally tied to the disembedding of artists and artworks from social and worldly affairs, whereas debates about canons of the fine arts since the end of the 20th century are heavily dependent on their social, cultural and historical reembedding. The latter has the character of disenchantment, but has also fettered the canon debate in notions of “our” versus “their” culture. However, by emphasizing the dedifferentiation of contemporary processes of culturalization, the advancing canonization of popular culture seems to be able to break with identity politics that foster notions of “our” culture in the present thinking on canons, and push it in a more transgressive, syncretic or hybrid direction.

  18. On Ensemble Nonlinear Kalman Filtering with Symmetric Analysis Ensembles

    KAUST Repository

    Luo, Xiaodong

    2010-09-19

    The ensemble square root filter (EnSRF) [1, 2, 3, 4] is a popular method for data assimilation in high dimensional systems (e.g., geophysics models). Essentially the EnSRF is a Monte Carlo implementation of the conventional Kalman filter (KF) [5, 6]. It is mainly different from the KF at the prediction steps, where it is some ensembles, rather then the means and covariance matrices, of the system state that are propagated forward. In doing this, the EnSRF is computationally more efficient than the KF, since propagating a covariance matrix forward in high dimensional systems is prohibitively expensive. In addition, the EnSRF is also very convenient in implementation. By propagating the ensembles of the system state, the EnSRF can be directly applied to nonlinear systems without any change in comparison to the assimilation procedures in linear systems. However, by adopting the Monte Carlo method, the EnSRF also incurs certain sampling errors. One way to alleviate this problem is to introduce certain symmetry to the ensembles, which can reduce the sampling errors and spurious modes in evaluation of the means and covariances of the ensembles [7]. In this contribution, we present two methods to produce symmetric ensembles. One is based on the unscented transform [8, 9], which leads to the unscented Kalman filter (UKF) [8, 9] and its variant, the ensemble unscented Kalman filter (EnUKF) [7]. The other is based on Stirling’s interpolation formula (SIF), which results in the divided difference filter (DDF) [10]. Here we propose a simplified divided difference filter (sDDF) in the context of ensemble filtering. The similarity and difference between the sDDF and the EnUKF will be discussed. Numerical experiments will also be conducted to investigate the performance of the sDDF and the EnUKF, and compare them to a well‐established EnSRF, the ensemble transform Kalman filter (ETKF) [2].

  19. Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states

    DEFF Research Database (Denmark)

    Senjean, Bruno; Knecht, Stefan; Jensen, Hans Jørgen Aa

    2015-01-01

    Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is, in principle, very attractive but has been hard to use in practice. A practical model based on GOK-DFT for the calculation of electronic excitation energies is discussed. The model relies on two modifications of GOK-DFT: use...... promising results have been obtained for both single (including charge transfer) and double excitations with spin-independent short-range local and semilocal functionals. Even at the Kohn-Sham ensemble DFT level, which is recovered when the range-separation parameter is set to 0, LIM performs better than...

  20. Multicollinearity in canonical correlation analysis in maize.

    Science.gov (United States)

    Alves, B M; Cargnelutti Filho, A; Burin, C

    2017-03-30

    The objective of this study was to evaluate the effects of multicollinearity under two methods of canonical correlation analysis (with and without elimination of variables) in maize (Zea mays L.) crop. Seventy-six maize genotypes were evaluated in three experiments, conducted in a randomized block design with three replications, during the 2009/2010 crop season. Eleven agronomic variables (number of days from sowing until female flowering, number of days from sowing until male flowering, plant height, ear insertion height, ear placement, number of plants, number of ears, ear index, ear weight, grain yield, and one thousand grain weight), 12 protein-nutritional variables (crude protein, lysine, methionine, cysteine, threonine, tryptophan, valine, isoleucine, leucine, phenylalanine, histidine, and arginine), and 6 energetic-nutritional variables (apparent metabolizable energy, apparent metabolizable energy corrected for nitrogen, ether extract, crude fiber, starch, and amylose) were measured. A phenotypic correlation matrix was first generated among the 29 variables for each of the experiments. A multicollinearity diagnosis was later performed within each group of variables using methodologies such as variance inflation factor and condition number. Canonical correlation analysis was then performed, with and without the elimination of variables, among groups of agronomic and protein-nutritional, and agronomic and energetic-nutritional variables. The canonical correlation analysis in the presence of multicollinearity (without elimination of variables) overestimates the variability of canonical coefficients. The elimination of variables is an efficient method to circumvent multicollinearity in canonical correlation analysis.

  1. Canonical transformations in problems of quantum statistical mechanics

    International Nuclear Information System (INIS)

    Sankovich, D.P.

    1985-01-01

    The problem of general canonical transformations in quantum systems possessing a classical analog is considered. The main role plays the Weyl representation of dynamic variables of the quantum system considered. One managed to build a general diagram of canonical transformations in a quantum case and to develop a method for reducing one or another operator to the simplest canonical form. In this case the procedure, being analogous to the Poincare-Birkhof normalization based on the Lie series theory, occurs

  2. Contact planarization of ensemble nanowires

    Science.gov (United States)

    Chia, A. C. E.; LaPierre, R. R.

    2011-06-01

    The viability of four organic polymers (S1808, SC200, SU8 and Cyclotene) as filling materials to achieve planarization of ensemble nanowire arrays is reported. Analysis of the porosity, surface roughness and thermal stability of each filling material was performed. Sonication was used as an effective method to remove the tops of the nanowires (NWs) to achieve complete planarization. Ensemble nanowire devices were fully fabricated and I-V measurements confirmed that Cyclotene effectively planarizes the NWs while still serving the role as an insulating layer between the top and bottom contacts. These processes and analysis can be easily implemented into future characterization and fabrication of ensemble NWs for optoelectronic device applications.

  3. Generalized canonical correlation analysis with missing values

    NARCIS (Netherlands)

    M. van de Velden (Michel); Y. Takane

    2009-01-01

    textabstractTwo new methods for dealing with missing values in generalized canonical correlation analysis are introduced. The first approach, which does not require iterations, is a generalization of the Test Equating method available for principal component analysis. In the second approach,

  4. Generalized Canonical Time Warping.

    Science.gov (United States)

    Zhou, Feng; De la Torre, Fernando

    2016-02-01

    Temporal alignment of human motion has been of recent interest due to its applications in animation, tele-rehabilitation and activity recognition. This paper presents generalized canonical time warping (GCTW), an extension of dynamic time warping (DTW) and canonical correlation analysis (CCA) for temporally aligning multi-modal sequences from multiple subjects performing similar activities. GCTW extends previous work on DTW and CCA in several ways: (1) it combines CCA with DTW to align multi-modal data (e.g., video and motion capture data); (2) it extends DTW by using a linear combination of monotonic functions to represent the warping path, providing a more flexible temporal warp. Unlike exact DTW, which has quadratic complexity, we propose a linear time algorithm to minimize GCTW. (3) GCTW allows simultaneous alignment of multiple sequences. Experimental results on aligning multi-modal data, facial expressions, motion capture data and video illustrate the benefits of GCTW. The code is available at http://humansensing.cs.cmu.edu/ctw.

  5. A two-stage method of quantitative flood risk analysis for reservoir real-time operation using ensemble-based hydrologic forecasts

    Science.gov (United States)

    Liu, P.

    2013-12-01

    Quantitative analysis of the risk for reservoir real-time operation is a hard task owing to the difficulty of accurate description of inflow uncertainties. The ensemble-based hydrologic forecasts directly depict the inflows not only the marginal distributions but also their persistence via scenarios. This motivates us to analyze the reservoir real-time operating risk with ensemble-based hydrologic forecasts as inputs. A method is developed by using the forecast horizon point to divide the future time into two stages, the forecast lead-time and the unpredicted time. The risk within the forecast lead-time is computed based on counting the failure number of forecast scenarios, and the risk in the unpredicted time is estimated using reservoir routing with the design floods and the reservoir water levels of forecast horizon point. As a result, a two-stage risk analysis method is set up to quantify the entire flood risks by defining the ratio of the number of scenarios that excessive the critical value to the total number of scenarios. The China's Three Gorges Reservoir (TGR) is selected as a case study, where the parameter and precipitation uncertainties are implemented to produce ensemble-based hydrologic forecasts. The Bayesian inference, Markov Chain Monte Carlo, is used to account for the parameter uncertainty. Two reservoir operation schemes, the real operated and scenario optimization, are evaluated for the flood risks and hydropower profits analysis. With the 2010 flood, it is found that the improvement of the hydrologic forecast accuracy is unnecessary to decrease the reservoir real-time operation risk, and most risks are from the forecast lead-time. It is therefore valuable to decrease the avarice of ensemble-based hydrologic forecasts with less bias for a reservoir operational purpose.

  6. Improved grand canonical sampling of vapour-liquid transitions.

    Science.gov (United States)

    Wilding, Nigel B

    2016-10-19

    Simulation within the grand canonical ensemble is the method of choice for accurate studies of first order vapour-liquid phase transitions in model fluids. Such simulations typically employ sampling that is biased with respect to the overall number density in order to overcome the free energy barrier associated with mixed phase states. However, at low temperature and for large system size, this approach suffers a drastic slowing down in sampling efficiency. The culprits are geometrically induced transitions (stemming from the periodic boundary conditions) which involve changes in droplet shape from sphere to cylinder and cylinder to slab. Since the overall number density does not discriminate sufficiently between these shapes, it fails as an order parameter for biasing through the transitions. Here we report two approaches to ameliorating these difficulties. The first introduces a droplet shape based order parameter that generates a transition path from vapour to slab states for which spherical and cylindrical droplets are suppressed. The second simply biases with respect to the number density in a tetragonal subvolume of the system. Compared to the standard approach, both methods offer improved sampling, allowing estimates of coexistence parameters and vapor-liquid surface tension for larger system sizes and lower temperatures.

  7. Representing Color Ensembles.

    Science.gov (United States)

    Chetverikov, Andrey; Campana, Gianluca; Kristjánsson, Árni

    2017-10-01

    Colors are rarely uniform, yet little is known about how people represent color distributions. We introduce a new method for studying color ensembles based on intertrial learning in visual search. Participants looked for an oddly colored diamond among diamonds with colors taken from either uniform or Gaussian color distributions. On test trials, the targets had various distances in feature space from the mean of the preceding distractor color distribution. Targets on test trials therefore served as probes into probabilistic representations of distractor colors. Test-trial response times revealed a striking similarity between the physical distribution of colors and their internal representations. The results demonstrate that the visual system represents color ensembles in a more detailed way than previously thought, coding not only mean and variance but, most surprisingly, the actual shape (uniform or Gaussian) of the distribution of colors in the environment.

  8. On Ensemble Nonlinear Kalman Filtering with Symmetric Analysis Ensembles

    KAUST Repository

    Luo, Xiaodong; Hoteit, Ibrahim; Moroz, Irene M.

    2010-01-01

    However, by adopting the Monte Carlo method, the EnSRF also incurs certain sampling errors. One way to alleviate this problem is to introduce certain symmetry to the ensembles, which can reduce the sampling errors and spurious modes in evaluation of the means and covariances of the ensembles [7]. In this contribution, we present two methods to produce symmetric ensembles. One is based on the unscented transform [8, 9], which leads to the unscented Kalman filter (UKF) [8, 9] and its variant, the ensemble unscented Kalman filter (EnUKF) [7]. The other is based on Stirling’s interpolation formula (SIF), which results in the divided difference filter (DDF) [10]. Here we propose a simplified divided difference filter (sDDF) in the context of ensemble filtering. The similarity and difference between the sDDF and the EnUKF will be discussed. Numerical experiments will also be conducted to investigate the performance of the sDDF and the EnUKF, and compare them to a well‐established EnSRF, the ensemble transform Kalman filter (ETKF) [2].

  9. Further Stable methods for the calculation of partition functions

    International Nuclear Information System (INIS)

    Wilson, B G; Gilleron, F; Pain, J

    2007-01-01

    The extension to recursion over holes of the Gilleron and Pain method for calculating partition functions of a canonical ensemble of non-interacting bound electrons is presented as well as a generalization for the efficient computation of collisional line broadening

  10. IUS CONNUBII: Canonical Dimension

    Directory of Open Access Journals (Sweden)

    Silma Mendes Berti

    2018-03-01

    Full Text Available anon Law, in regulating under Can.1058 the "ius connubii", lays down that: "All those who are not prohibited from doing so by law may contract matrimony." This disposition, although apparently simple, has a wide and deep range of implications, questionings and possibilities for investigation, especially as it involves an extremely delicate relationship. A perfect combination of law and sacrament, the "ius connubii", in its close relationship with the constitution of the family, which is the sanctuary of Love, is an important problem, which faces the legislator, both in the legislation of the State, specifically in Civil Law, and in that of the Church. As the general principle of the canonical matrimonial system, "ius connubii' is the source of interpretation of all rules concerning matrimony, especially when it comes to the distinction between sacramental reality and liturgical ceremony. This is the fact, which is the basis of our reflections.

  11. Multi-Model Ensemble Wake Vortex Prediction

    Science.gov (United States)

    Koerner, Stephan; Holzaepfel, Frank; Ahmad, Nash'at N.

    2015-01-01

    Several multi-model ensemble methods are investigated for predicting wake vortex transport and decay. This study is a joint effort between National Aeronautics and Space Administration and Deutsches Zentrum fuer Luft- und Raumfahrt to develop a multi-model ensemble capability using their wake models. An overview of different multi-model ensemble methods and their feasibility for wake applications is presented. The methods include Reliability Ensemble Averaging, Bayesian Model Averaging, and Monte Carlo Simulations. The methodologies are evaluated using data from wake vortex field experiments.

  12. Dysphonic Voice Pattern Analysis of Patients in Parkinson’s Disease Using Minimum Interclass Probability Risk Feature Selection and Bagging Ensemble Learning Methods

    Directory of Open Access Journals (Sweden)

    Yunfeng Wu

    2017-01-01

    Full Text Available Analysis of quantified voice patterns is useful in the detection and assessment of dysphonia and related phonation disorders. In this paper, we first study the linear correlations between 22 voice parameters of fundamental frequency variability, amplitude variations, and nonlinear measures. The highly correlated vocal parameters are combined by using the linear discriminant analysis method. Based on the probability density functions estimated by the Parzen-window technique, we propose an interclass probability risk (ICPR method to select the vocal parameters with small ICPR values as dominant features and compare with the modified Kullback-Leibler divergence (MKLD feature selection approach. The experimental results show that the generalized logistic regression analysis (GLRA, support vector machine (SVM, and Bagging ensemble algorithm input with the ICPR features can provide better classification results than the same classifiers with the MKLD selected features. The SVM is much better at distinguishing normal vocal patterns with a specificity of 0.8542. Among the three classification methods, the Bagging ensemble algorithm with ICPR features can identify 90.77% vocal patterns, with the highest sensitivity of 0.9796 and largest area value of 0.9558 under the receiver operating characteristic curve. The classification results demonstrate the effectiveness of our feature selection and pattern analysis methods for dysphonic voice detection and measurement.

  13. Semi-Supervised Multi-View Ensemble Learning Based On Extracting Cross-View Correlation

    Directory of Open Access Journals (Sweden)

    ZALL, R.

    2016-05-01

    Full Text Available Correlated information between different views incorporate useful for learning in multi view data. Canonical correlation analysis (CCA plays important role to extract these information. However, CCA only extracts the correlated information between paired data and cannot preserve correlated information between within-class samples. In this paper, we propose a two-view semi-supervised learning method called semi-supervised random correlation ensemble base on spectral clustering (SS_RCE. SS_RCE uses a multi-view method based on spectral clustering which takes advantage of discriminative information in multiple views to estimate labeling information of unlabeled samples. In order to enhance discriminative power of CCA features, we incorporate the labeling information of both unlabeled and labeled samples into CCA. Then, we use random correlation between within-class samples from cross view to extract diverse correlated features for training component classifiers. Furthermore, we extend a general model namely SSMV_RCE to construct ensemble method to tackle semi-supervised learning in the presence of multiple views. Finally, we compare the proposed methods with existing multi-view feature extraction methods using multi-view semi-supervised ensembles. Experimental results on various multi-view data sets are presented to demonstrate the effectiveness of the proposed methods.

  14. Statistical ensembles and molecular dynamics studies of anisotropic solids. II

    International Nuclear Information System (INIS)

    Ray, J.R.; Rahman, A.

    1985-01-01

    We have recently discussed how the Parrinello--Rahman theory can be brought into accord with the theory of the elastic and thermodynamic behavior of anisotropic media. This involves the isoenthalpic--isotension ensemble of statistical mechanics. Nose has developed a canonical ensemble form of molecular dynamics. We combine Nose's ideas with the Parrinello--Rahman theory to obtain a canonical form of molecular dynamics appropriate to the study of anisotropic media subjected to arbitrary external stress. We employ this isothermal--isotension ensemble in a study of a fcc→ close-packed structural phase transformation in a Lennard-Jones solid subjected to uniaxial compression. Our interpretation of the Nose theory does not involve a scaling of the time variable. This latter fact leads to simplifications when studying the time dependence of quantities

  15. Applying a Multi-Model Ensemble Method for Long-Term Runoff Prediction under Climate Change Scenarios for the Yellow River Basin, China

    Directory of Open Access Journals (Sweden)

    Linus Zhang

    2018-03-01

    Full Text Available Given the substantial impacts that are expected due to climate change, it is crucial that accurate rainfall–runoff results are provided for various decision-making purposes. However, these modeling results often generate uncertainty or bias due to the imperfect character of individual models. In this paper, a genetic algorithm together with a Bayesian model averaging method are employed to provide a multi-model ensemble (MME and combined runoff prediction under climate change scenarios produced from eight rainfall–runoff models for the Yellow River Basin. The results show that the multi-model ensemble method, especially the genetic algorithm method, can produce more reliable predictions than the other considered rainfall–runoff models. These results show that it is possible to reduce the uncertainty and thus improve the accuracy for future projections using different models because an MME approach evens out the bias involved in the individual model. For the study area, the final combined predictions reveal that less runoff is expected under most climatic scenarios, which will threaten water security of the basin.

  16. World Music Ensemble: Kulintang

    Science.gov (United States)

    Beegle, Amy C.

    2012-01-01

    As instrumental world music ensembles such as steel pan, mariachi, gamelan and West African drums are becoming more the norm than the exception in North American school music programs, there are other world music ensembles just starting to gain popularity in particular parts of the United States. The kulintang ensemble, a drum and gong ensemble…

  17. Canonical Labelling of Site Graphs

    Directory of Open Access Journals (Sweden)

    Nicolas Oury

    2013-06-01

    Full Text Available We investigate algorithms for canonical labelling of site graphs, i.e. graphs in which edges bind vertices on sites with locally unique names. We first show that the problem of canonical labelling of site graphs reduces to the problem of canonical labelling of graphs with edge colourings. We then present two canonical labelling algorithms based on edge enumeration, and a third based on an extension of Hopcroft's partition refinement algorithm. All run in quadratic worst case time individually. However, one of the edge enumeration algorithms runs in sub-quadratic time for graphs with "many" automorphisms, and the partition refinement algorithm runs in sub-quadratic time for graphs with "few" bisimulation equivalences. This suite of algorithms was chosen based on the expectation that graphs fall in one of those two categories. If that is the case, a combined algorithm runs in sub-quadratic worst case time. Whether this expectation is reasonable remains an interesting open problem.

  18. Backlund transformations as canonical transformations

    International Nuclear Information System (INIS)

    Villani, A.; Zimerman, A.H.

    1977-01-01

    Toda and Wadati as well as Kodama and Wadati have shown that the Backlund transformations, for the exponential lattice equation, sine-Gordon equation, K-dV (Korteweg de Vries) equation and modifies K-dV equation, are canonical transformation. It is shown that the Backlund transformation for the Boussinesq equation, for a generalized K-dV equation, for a model equation for shallow water waves and for the nonlinear Schroedinger equation are also canonical transformations [pt

  19. The canon as text for a biblical theology

    Directory of Open Access Journals (Sweden)

    James A. Loader

    2005-10-01

    Full Text Available The novelty of the canonical approach is questioned and its fascination at least partly traced to the Reformation, as well as to the post-Reformation’s need for a clear and authoritative canon to perform the function previously performed by the church. This does not minimise the elusiveness and deeply contradictory positions both within the canon and triggered by it. On the one hand, the canon itself is a centripetal phenomenon and does play an important role in exegesis and theology. Even so, on the other hand, it not only contains many difficulties, but also causes various additional problems of a formal as well as a theological nature. The question is mooted whether the canonical approach alleviates or aggravates the dilemma. Since this approach has become a major factor in Christian theology, aspects of the Christian canon are used to gauge whether “canon” is an appropriate category for eliminating difficulties that arise by virtue of its own existence. Problematic uses and appropriations of several Old Testament canons are advanced, as well as evidence in the New Testament of a consciousness that the “old” has been surpassed(“Überbietungsbewußtsein”. It is maintained that at least the Childs version of the canonical approach fails to smooth out these and similar difficulties. As a method it can cater for the New Testament’s (superior role as the hermeneutical standard for evaluating the Old, but flounders on its inability to create the theological unity it claims can solve religious problems exposed by Old Testament historical criticism. It is concluded that canon as a category cannot be dispensed with, but is useful for the opposite of the purpose to which it is conventionally put: far from bringing about theological “unity” or producing a standard for “correct” exegesis, it requires different readings of different canons.

  20. Generalización del método de correlaciones canónicas aplicado a un problema de economía (Generalization of the canonical correlation method applied to an economy problem

    Directory of Open Access Journals (Sweden)

    Jorge Luis Azor Hernández

    2018-03-01

    Full Text Available Resumen. El Análisis de Correlaciones Canónicas (CCA desarrollado por Hotelling entre 1935 y 1936 es un método utilizado para estudiar las relaciones existentes entre dos conjuntos de variables. En 1968 Carroll introdujo una generalización de este método que permite analizar simultáneamente más de dos conjuntos de datos. Otra extensión de CCA es el Análisis de Correlaciones Canónicas Funcional que estudia las relaciones entre dos conjuntos de variables cuando estas transcurren en el tiempo. En este artículo se analiza, mediante estos métodos, la relación entre las ventas y el número de empleados en un problema de la economía mexicana English abstract. Canonical Correlation Analysis (CCA developed by Hotelling between 1935 and 1936 is a method used to study the relationships between two sets of variables. In 1968 Carroll introduced a generalization of this method to simultaneously analyze more than two datasets. Another extension of CCA is Functional Canonical Correlation Analysis that studies the relationships between two sets of variables when they pass in time. In this article, the relationship between sales and the number of employees in a problem of the Mexican economy is analyzed through these methods.

  1. Canonical Duality Theory for Topology Optimization

    OpenAIRE

    Gao, David Yang

    2016-01-01

    This paper presents a canonical duality approach for solving a general topology optimization problem of nonlinear elastic structures. By using finite element method, this most challenging problem can be formulated as a mixed integer nonlinear programming problem (MINLP), i.e. for a given deformation, the first-level optimization is a typical linear constrained 0-1 programming problem, while for a given structure, the second-level optimization is a general nonlinear continuous minimization pro...

  2. An efficient algorithm for calculation of the Luenberger canonical form.

    Science.gov (United States)

    Jordan, D.; Sridhar, B.

    1973-01-01

    A new algorithm is presented to obtain the Luenberger canonical form for multivariable systems. A distinct feature of the method is that the canonical form is obtained directly and, if necessary, the similarity transformation can be computed. There is a substantial reduction in the amount of computation compared to Luenberger's method. The reduced computations along with Gaussian techniques lend greater inherent accuracy and the ability to refine the solution with additional computations. An example is presented to illustrate the technique.

  3. Canonical quantum gravity and consistent discretizations

    Indian Academy of Sciences (India)

    Abstract. This paper covers some developments in canonical quantum gravity that ... derstanding the real Ashtekar variables four dimensionally [4], or the recent work ... Traditionally, canonical formulations of general relativity considered as canonical variables the metric on a spatial slice qab and a canonically conjugate.

  4. Covariant canonical quantization of fields and Bohmian mechanics

    International Nuclear Information System (INIS)

    Nikolic, H.

    2005-01-01

    We propose a manifestly covariant canonical method of field quantization based on the classical De Donder-Weyl covariant canonical formulation of field theory. Owing to covariance, the space and time arguments of fields are treated on an equal footing. To achieve both covariance and consistency with standard non-covariant canonical quantization of fields in Minkowski spacetime, it is necessary to adopt a covariant Bohmian formulation of quantum field theory. A preferred foliation of spacetime emerges dynamically owing to a purely quantum effect. The application to a simple time-reparametrization invariant system and quantum gravity is discussed and compared with the conventional non-covariant Wheeler-DeWitt approach. (orig.)

  5. Derivation of a thermodynamic closure relation in the isothermal-isobaric ensemble using quasi-Gaussian entropy theory

    NARCIS (Netherlands)

    Apol, M.E F; Amadei, A; Berendsen, H.J.C.

    1996-01-01

    In an analogous way as was done previously in the canonical ensemble, we derived for dilute gases an approximated thermodynamic closure relation in the isothermal-isobaric ensemble using quasi-Gaussian entropy theory. For the Gamma state, we formulated equations for the temperature dependence of

  6. Advanced Atmospheric Ensemble Modeling Techniques

    Energy Technology Data Exchange (ETDEWEB)

    Buckley, R. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Chiswell, S. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Kurzeja, R. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Maze, G. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Viner, B. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Werth, D. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-09-29

    Ensemble modeling (EM), the creation of multiple atmospheric simulations for a given time period, has become an essential tool for characterizing uncertainties in model predictions. We explore two novel ensemble modeling techniques: (1) perturbation of model parameters (Adaptive Programming, AP), and (2) data assimilation (Ensemble Kalman Filter, EnKF). The current research is an extension to work from last year and examines transport on a small spatial scale (<100 km) in complex terrain, for more rigorous testing of the ensemble technique. Two different release cases were studied, a coastal release (SF6) and an inland release (Freon) which consisted of two release times. Observations of tracer concentration and meteorology are used to judge the ensemble results. In addition, adaptive grid techniques have been developed to reduce required computing resources for transport calculations. Using a 20- member ensemble, the standard approach generated downwind transport that was quantitatively good for both releases; however, the EnKF method produced additional improvement for the coastal release where the spatial and temporal differences due to interior valley heating lead to the inland movement of the plume. The AP technique showed improvements for both release cases, with more improvement shown in the inland release. This research demonstrated that transport accuracy can be improved when models are adapted to a particular location/time or when important local data is assimilated into the simulation and enhances SRNL’s capability in atmospheric transport modeling in support of its current customer base and local site missions, as well as our ability to attract new customers within the intelligence community.

  7. Periodicity, the Canon and Sport

    Directory of Open Access Journals (Sweden)

    Thomas F. Scanlon

    2015-10-01

    Full Text Available The topic according to this title is admittedly a broad one, embracing two very general concepts of time and of the cultural valuation of artistic products. Both phenomena are, in the present view, largely constructed by their contemporary cultures, and given authority to a great extent from the prestige of the past. The antiquity of tradition brings with it a certain cachet. Even though there may be peripheral debates in any given society which question the specifics of periodization or canonicity, individuals generally accept the consensus designation of a sequence of historical periods and they accept a list of highly valued artistic works as canonical or authoritative. We will first examine some of the processes of periodization and of canon-formation, after which we will discuss some specific examples of how these processes have worked in the sport of two ancient cultures, namely Greece and Mesoamerica.

  8. Enabling grand-canonical Monte Carlo: extending the flexibility of GROMACS through the GromPy python interface module.

    Science.gov (United States)

    Pool, René; Heringa, Jaap; Hoefling, Martin; Schulz, Roland; Smith, Jeremy C; Feenstra, K Anton

    2012-05-05

    We report on a python interface to the GROMACS molecular simulation package, GromPy (available at https://github.com/GromPy). This application programming interface (API) uses the ctypes python module that allows function calls to shared libraries, for example, written in C. To the best of our knowledge, this is the first reported interface to the GROMACS library that uses direct library calls. GromPy can be used for extending the current GROMACS simulation and analysis modes. In this work, we demonstrate that the interface enables hybrid Monte-Carlo/molecular dynamics (MD) simulations in the grand-canonical ensemble, a simulation mode that is currently not implemented in GROMACS. For this application, the interplay between GromPy and GROMACS requires only minor modifications of the GROMACS source code, not affecting the operation, efficiency, and performance of the GROMACS applications. We validate the grand-canonical application against MD in the canonical ensemble by comparison of equations of state. The results of the grand-canonical simulations are in complete agreement with MD in the canonical ensemble. The python overhead of the grand-canonical scheme is only minimal. Copyright © 2012 Wiley Periodicals, Inc.

  9. Canonical forms of tensor representations and spontaneous symmetry breaking

    International Nuclear Information System (INIS)

    Cummins, C.J.

    1986-01-01

    An algorithm for constructing canonical forms for any tensor representation of the classical compact Lie groups is given. This method is used to find a complete list of the symmetry breaking patterns produced by Higgs fields in the third-rank antisymmetric representations of U(n), SU(n) and SO(n) for n<=7. A simple canonical form is also given for kth-rank symmetric tensor representations. (author)

  10. Layered Ensemble Architecture for Time Series Forecasting.

    Science.gov (United States)

    Rahman, Md Mustafizur; Islam, Md Monirul; Murase, Kazuyuki; Yao, Xin

    2016-01-01

    Time series forecasting (TSF) has been widely used in many application areas such as science, engineering, and finance. The phenomena generating time series are usually unknown and information available for forecasting is only limited to the past values of the series. It is, therefore, necessary to use an appropriate number of past values, termed lag, for forecasting. This paper proposes a layered ensemble architecture (LEA) for TSF problems. Our LEA consists of two layers, each of which uses an ensemble of multilayer perceptron (MLP) networks. While the first ensemble layer tries to find an appropriate lag, the second ensemble layer employs the obtained lag for forecasting. Unlike most previous work on TSF, the proposed architecture considers both accuracy and diversity of the individual networks in constructing an ensemble. LEA trains different networks in the ensemble by using different training sets with an aim of maintaining diversity among the networks. However, it uses the appropriate lag and combines the best trained networks to construct the ensemble. This indicates LEAs emphasis on accuracy of the networks. The proposed architecture has been tested extensively on time series data of neural network (NN)3 and NN5 competitions. It has also been tested on several standard benchmark time series data. In terms of forecasting accuracy, our experimental results have revealed clearly that LEA is better than other ensemble and nonensemble methods.

  11. Problems of a Statistical Ensemble Theory for Systems Far from Equilibrium

    Science.gov (United States)

    Ebeling, Werner

    The development of a general statistical physics of nonequilibrium systems was one of the main unfinished tasks of statistical physics of the 20th century. The aim of this work is the study of a special class of nonequilibrium systems where the formulation of an ensemble theory of some generality is possible. These are the so-called canonical-dissipative systems, where the driving terms are determined by invariants of motion. We construct canonical-dissipative systems which are ergodic on certain surfaces on the phase plane. These systems may be described by a non-equilibrium microcanocical ensemble, corresponding to an equal distribution on the target surface. Next we construct and solve Fokker-Planck equations; this leads to a kind of canonical-dissipative ensemble. In the last part we discuss the thoretical problem how to define bifurcations in the framework of nonequilibrium statistics and several possible applications.

  12. Anomaly transform methods based on total energy and ocean heat content norms for generating ocean dynamic disturbances for ensemble climate forecasts

    Science.gov (United States)

    Romanova, Vanya; Hense, Andreas

    2017-08-01

    In our study we use the anomaly transform, a special case of ensemble transform method, in which a selected set of initial oceanic anomalies in space, time and variables are defined and orthogonalized. The resulting orthogonal perturbation patterns are designed such that they pick up typical balanced anomaly structures in space and time and between variables. The metric used to set up the eigen problem is taken either as the weighted total energy with its zonal, meridional kinetic and available potential energy terms having equal contributions, or the weighted ocean heat content in which a disturbance is applied only to the initial temperature fields. The choices of a reference state for defining the initial anomalies are such that either perturbations on seasonal timescales and or on interannual timescales are constructed. These project a-priori only the slow modes of the ocean physical processes, such that the disturbances grow mainly in the Western Boundary Currents, in the Antarctic Circumpolar Current and the El Nino Southern Oscillation regions. An additional set of initial conditions is designed to fit in a least square sense data from global ocean reanalysis. Applying the AT produced sets of disturbances to oceanic initial conditions initialized by observations of the MPIOM-ESM coupled model on T63L47/GR15 resolution, four ensemble and one hind-cast experiments were performed. The weighted total energy norm is used to monitor the amplitudes and rates of the fastest growing error modes. The results showed minor dependence of the instabilities or error growth on the selected metric but considerable change due to the magnitude of the scaling amplitudes of the perturbation patterns. In contrast to similar atmospheric applications, we find an energy conversion from kinetic to available potential energy, which suggests a different source of uncertainty generation in the ocean than in the atmosphere mainly associated with changes in the density field.

  13. Canonical Authors in Consumption Theory

    DEFF Research Database (Denmark)

    Canonical Authors in Consumption Theory is the first work to compile the contributions of the greatest social thinkers in the global conversation about consumption and consumer culture. A prestigious reference work, it offers original chapters by the world's most prominent thought leaders and sur...

  14. Romanticism, Sexuality, and the Canon.

    Science.gov (United States)

    Rowe, Kathleen K.

    1990-01-01

    Traces the Romanticism in the work and persona of film director Jean-Luc Godard. Examines the contradictions posed by Godard's politics and representations of sexuality. Asserts, that by bringing an ironic distance to the works of such canonized directors, viewers can take pleasure in those works despite their contradictions. (MM)

  15. CANONICAL BACKWARD DIFFERENTIATION SCHEMES FOR ...

    African Journals Online (AJOL)

    This paper describes a new nonlinear backward differentiation schemes for the numerical solution of nonlinear initial value problems of first order ordinary differential equations. The schemes are based on rational interpolation obtained from canonical polynomials. They are A-stable. The test problems show that they give ...

  16. Realizations of the canonical representation

    Indian Academy of Sciences (India)

    Traditionally, the canonical representation is realized on the Hilbert space ... Fix a decomposition R2n = Rn × Rn ..... to an orthonormal basis {ψ1,ψ2,. ..... [7] Vemuri M K, A non-commutative Sobolev inequality and its application to spectral.

  17. Comparison of different statistical downscaling methods to estimate changes in hourly extreme precipitation using RCM projections from ENSEMBLES

    DEFF Research Database (Denmark)

    Sunyer Pinya, Maria Antonia; Gregersen, Ida Bülow; Rosbjerg, Dan

    2015-01-01

    change method for extreme events, a weather generator combined with a disaggregation method and a climate analogue method. All three methods rely on different assumptions and use different outputs from the regional climate models (RCMs). The results of the three methods point towards an increase...... in extreme precipitation but the magnitude of the change varies depending on the RCM used and the spatial location. In general, a similar mean change is obtained for the three methods. This adds confidence in the results as each method uses different information from the RCMs. The results of this study...

  18. Multilevel ensemble Kalman filter

    KAUST Repository

    Chernov, Alexey; Hoel, Haakon; Law, Kody; Nobile, Fabio; Tempone, Raul

    2016-01-01

    This work embeds a multilevel Monte Carlo (MLMC) sampling strategy into the Monte Carlo step of the ensemble Kalman filter (EnKF). In terms of computational cost vs. approximation error the asymptotic performance of the multilevel ensemble Kalman filter (MLEnKF) is superior to the EnKF s.

  19. Multilevel ensemble Kalman filter

    KAUST Repository

    Chernov, Alexey

    2016-01-06

    This work embeds a multilevel Monte Carlo (MLMC) sampling strategy into the Monte Carlo step of the ensemble Kalman filter (EnKF). In terms of computational cost vs. approximation error the asymptotic performance of the multilevel ensemble Kalman filter (MLEnKF) is superior to the EnKF s.

  20. Canonical particle tracking in undulator fields

    International Nuclear Information System (INIS)

    Wuestefeld, G.; Bahrdt, J.

    1991-01-01

    A new algebraic mapping routine for particle tracking across wiggler and undulator fields in presented. It is based on a power series expansion of the generating function to guarantee fully canonical transformations. This method is 10 to 100 times faster than integration routines, applied in tracking codes like BETA or RACETRACK. The tracking method presented is not restricted to wigglers and undulators, it can be applied to other magnetic fields as well such as fringing fields of quadrupoles or dipoles if the suggested expansion converges

  1. The Ensembl REST API: Ensembl Data for Any Language.

    Science.gov (United States)

    Yates, Andrew; Beal, Kathryn; Keenan, Stephen; McLaren, William; Pignatelli, Miguel; Ritchie, Graham R S; Ruffier, Magali; Taylor, Kieron; Vullo, Alessandro; Flicek, Paul

    2015-01-01

    We present a Web service to access Ensembl data using Representational State Transfer (REST). The Ensembl REST server enables the easy retrieval of a wide range of Ensembl data by most programming languages, using standard formats such as JSON and FASTA while minimizing client work. We also introduce bindings to the popular Ensembl Variant Effect Predictor tool permitting large-scale programmatic variant analysis independent of any specific programming language. The Ensembl REST API can be accessed at http://rest.ensembl.org and source code is freely available under an Apache 2.0 license from http://github.com/Ensembl/ensembl-rest. © The Author 2014. Published by Oxford University Press.

  2. Microcanonical-ensemble computer simulation of the high-temperature expansion coefficients of the Helmholtz free energy of a square-well fluid

    Science.gov (United States)

    Sastre, Francisco; Moreno-Hilario, Elizabeth; Sotelo-Serna, Maria Guadalupe; Gil-Villegas, Alejandro

    2018-02-01

    The microcanonical-ensemble computer simulation method (MCE) is used to evaluate the perturbation terms Ai of the Helmholtz free energy of a square-well (SW) fluid. The MCE method offers a very efficient and accurate procedure for the determination of perturbation terms of discrete-potential systems such as the SW fluid and surpass the standard NVT canonical ensemble Monte Carlo method, allowing the calculation of the first six expansion terms. Results are presented for the case of a SW potential with attractive ranges 1.1 ≤ λ ≤ 1.8. Using semi-empirical representation of the MCE values for Ai, we also discuss the accuracy in the determination of the phase diagram of this system.

  3. Non-linear multivariate and multiscale monitoring and signal denoising strategy using Kernel Principal Component Analysis combined with Ensemble Empirical Mode Decomposition method

    Science.gov (United States)

    Žvokelj, Matej; Zupan, Samo; Prebil, Ivan

    2011-10-01

    The article presents a novel non-linear multivariate and multiscale statistical process monitoring and signal denoising method which combines the strengths of the Kernel Principal Component Analysis (KPCA) non-linear multivariate monitoring approach with the benefits of Ensemble Empirical Mode Decomposition (EEMD) to handle multiscale system dynamics. The proposed method which enables us to cope with complex even severe non-linear systems with a wide dynamic range was named the EEMD-based multiscale KPCA (EEMD-MSKPCA). The method is quite general in nature and could be used in different areas for various tasks even without any really deep understanding of the nature of the system under consideration. Its efficiency was first demonstrated by an illustrative example, after which the applicability for the task of bearing fault detection, diagnosis and signal denosing was tested on simulated as well as actual vibration and acoustic emission (AE) signals measured on purpose-built large-size low-speed bearing test stand. The positive results obtained indicate that the proposed EEMD-MSKPCA method provides a promising tool for tackling non-linear multiscale data which present a convolved picture of many events occupying different regions in the time-frequency plane.

  4. Towards a GME ensemble forecasting system: Ensemble initialization using the breeding technique

    Directory of Open Access Journals (Sweden)

    Jan D. Keller

    2008-12-01

    Full Text Available The quantitative forecast of precipitation requires a probabilistic background particularly with regard to forecast lead times of more than 3 days. As only ensemble simulations can provide useful information of the underlying probability density function, we built a new ensemble forecasting system (GME-EFS based on the GME model of the German Meteorological Service (DWD. For the generation of appropriate initial ensemble perturbations we chose the breeding technique developed by Toth and Kalnay (1993, 1997, which develops perturbations by estimating the regions of largest model error induced uncertainty. This method is applied and tested in the framework of quasi-operational forecasts for a three month period in 2007. The performance of the resulting ensemble forecasts are compared to the operational ensemble prediction systems ECMWF EPS and NCEP GFS by means of ensemble spread of free atmosphere parameters (geopotential and temperature and ensemble skill of precipitation forecasting. This comparison indicates that the GME ensemble forecasting system (GME-EFS provides reasonable forecasts with spread skill score comparable to that of the NCEP GFS. An analysis with the continuous ranked probability score exhibits a lack of resolution for the GME forecasts compared to the operational ensembles. However, with significant enhancements during the 3 month test period, the first results of our work with the GME-EFS indicate possibilities for further development as well as the potential for later operational usage.

  5. Musical ensembles in Ancient Mesapotamia

    NARCIS (Netherlands)

    Krispijn, T.J.H.; Dumbrill, R.; Finkel, I.

    2010-01-01

    Identification of musical instruments from ancient Mesopotamia by comparing musical ensembles attested in Sumerian and Akkadian texts with depicted ensembles. Lexicographical contributions to the Sumerian and Akkadian lexicon.

  6. Constructing canonical bases of quantized enveloping algebras

    OpenAIRE

    Graaf, W.A. de

    2001-01-01

    An algorithm for computing the elements of a given weight of the canonical basis of a quantized enveloping algebra is described. Subsequently, a similar algorithm is presented for computing the canonical basis of a finite-dimensional module.

  7. Generalized canonical correlation analysis with missing values

    NARCIS (Netherlands)

    M. van de Velden (Michel); Y. Takane

    2012-01-01

    textabstractGeneralized canonical correlation analysis is a versatile technique that allows the joint analysis of several sets of data matrices. The generalized canonical correlation analysis solution can be obtained through an eigenequation and distributional assumptions are not required. When

  8. Restoring canonical partition functions from imaginary chemical potential

    Science.gov (United States)

    Bornyakov, V. G.; Boyda, D.; Goy, V.; Molochkov, A.; Nakamura, A.; Nikolaev, A.; Zakharov, V. I.

    2018-03-01

    Using GPGPU techniques and multi-precision calculation we developed the code to study QCD phase transition line in the canonical approach. The canonical approach is a powerful tool to investigate sign problem in Lattice QCD. The central part of the canonical approach is the fugacity expansion of the grand canonical partition functions. Canonical partition functions Zn(T) are coefficients of this expansion. Using various methods we study properties of Zn(T). At the last step we perform cubic spline for temperature dependence of Zn(T) at fixed n and compute baryon number susceptibility χB/T2 as function of temperature. After that we compute numerically ∂χ/∂T and restore crossover line in QCD phase diagram. We use improved Wilson fermions and Iwasaki gauge action on the 163 × 4 lattice with mπ/mρ = 0.8 as a sandbox to check the canonical approach. In this framework we obtain coefficient in parametrization of crossover line Tc(µ2B) = Tc(C-ĸµ2B/T2c) with ĸ = -0.0453 ± 0.0099.

  9. Titchmarsh-Weyl theory for canonical systems

    Directory of Open Access Journals (Sweden)

    Keshav Raj Acharya

    2014-11-01

    Full Text Available The main purpose of this paper is to develop Titchmarsh- Weyl theory of canonical systems. To this end, we first observe the fact that Schrodinger and Jacobi equations can be written into canonical systems. We then discuss the theory of Weyl m-function for canonical systems and establish the relation between the Weyl m-functions of Schrodinger equations and that of canonical systems which involve Schrodinger equations.

  10. A Pseudoproxy-Ensemble Study of Late-Holocene Climate Field Reconstructions Using CCA

    Science.gov (United States)

    Amrhein, D. E.; Smerdon, J. E.

    2009-12-01

    Recent evaluations of late-Holocene multi-proxy reconstruction methods have used pseudoproxy experiments derived from millennial General Circulation Model (GCM) integrations. These experiments assess the performance of a reconstruction technique by comparing pseudoproxy reconstructions, which use restricted subsets of model data, against complete GCM data fields. Most previous studies have tested methodologies using different pseudoproxy noise levels, but only with single realizations for each noise classification. A more robust evaluation of performance is to create an ensemble of pseudoproxy networks with distinct sets of noise realizations and a corresponding reconstruction ensemble that can be evaluated for consistency and sensitivity to random error. This work investigates canonical correlation analysis (CCA) as a late-Holocene climate field reconstruction (CFR) technique using ensembles of pseudoproxy experiments derived from the NCAR CSM 1.4 millennial integration. Three 200-member reconstruction ensembles are computed using pseudoproxies with signal-to-noise ratios (by standard deviation) of 1, 0.5, and 0.25 and locations that approximate the spatial distribution of real-world multiproxy networks. An important component of these ensemble calculations is the independent optimization of the three CCA truncation parameters for each ensemble member. This task is accomplished using an inexpensive discrete optimization algorithm that minimizes both RMS error in the calibration interval and the number of free parameters in the reconstruction model to avoid artificial skill. Within this framework, CCA is investigated for its sensitivity to the level of noise in the pseudoproxy network and the spatial distribution of the network. Warm biases, variance losses, and validation-interval error increase with noise level and vary spatially within the reconstructed fields. Reconstruction skill, measured as grid-point correlations during the validation interval, is lowest in

  11. Creating ensembles of decision trees through sampling

    Science.gov (United States)

    Kamath, Chandrika; Cantu-Paz, Erick

    2005-08-30

    A system for decision tree ensembles that includes a module to read the data, a module to sort the data, a module to evaluate a potential split of the data according to some criterion using a random sample of the data, a module to split the data, and a module to combine multiple decision trees in ensembles. The decision tree method is based on statistical sampling techniques and includes the steps of reading the data; sorting the data; evaluating a potential split according to some criterion using a random sample of the data, splitting the data, and combining multiple decision trees in ensembles.

  12. Canonical formalism for coupled beam optics

    International Nuclear Information System (INIS)

    Kheifets, S.A.

    1989-09-01

    Beam optics of a lattice with an inter-plane coupling is treated using canonical Hamiltonian formalism. The method developed is equally applicable both to a circular (periodic) machine and to an open transport line. A solution of the equation of a particle motion (and correspondingly transfer matrix between two arbitrary points of the lattice) are described in terms of two amplitude functions (and their derivatives and corresponding phases of oscillations) and four coupling functions, defined by a solution of the system of the first-order nonlinear differential equations derived in the paper. Thus total number of independent parameters is equal to ten. 8 refs

  13. Kato expansion in quantum canonical perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Nikolaev, Andrey, E-mail: Andrey.Nikolaev@rdtex.ru [Institute of Computing for Physics and Technology, Protvino, Moscow Region, Russia and RDTeX LTD, Moscow (Russian Federation)

    2016-06-15

    This work establishes a connection between canonical perturbation series in quantum mechanics and a Kato expansion for the resolvent of the Liouville superoperator. Our approach leads to an explicit expression for a generator of a block-diagonalizing Dyson’s ordered exponential in arbitrary perturbation order. Unitary intertwining of perturbed and unperturbed averaging superprojectors allows for a description of ambiguities in the generator and block-diagonalized Hamiltonian. We compare the efficiency of the corresponding computational algorithm with the efficiencies of the Van Vleck and Magnus methods for high perturbative orders.

  14. Kato expansion in quantum canonical perturbation theory

    International Nuclear Information System (INIS)

    Nikolaev, Andrey

    2016-01-01

    This work establishes a connection between canonical perturbation series in quantum mechanics and a Kato expansion for the resolvent of the Liouville superoperator. Our approach leads to an explicit expression for a generator of a block-diagonalizing Dyson’s ordered exponential in arbitrary perturbation order. Unitary intertwining of perturbed and unperturbed averaging superprojectors allows for a description of ambiguities in the generator and block-diagonalized Hamiltonian. We compare the efficiency of the corresponding computational algorithm with the efficiencies of the Van Vleck and Magnus methods for high perturbative orders.

  15. Modern canonical quantum general relativity

    CERN Document Server

    Thiemann, Thomas

    2007-01-01

    This is an introduction to the by now fifteen years old research field of canonical quantum general relativity, sometimes called "loop quantum gravity". The term "modern" in the title refers to the fact that the quantum theory is based on formulating classical general relativity as a theory of connections rather than metrics as compared to in original version due to Arnowitt, Deser and Misner. Canonical quantum general relativity is an attempt to define a mathematically rigorous, non-perturbative, background independent theory of Lorentzian quantum gravity in four spacetime dimensions in the continuum. The approach is minimal in that one simply analyzes the logical consequences of combining the principles of general relativity with the principles of quantum mechanics. The requirement to preserve background independence has lead to new, fascinating mathematical structures which one does not see in perturbative approaches, e.g. a fundamental discreteness of spacetime seems to be a prediction of the theory provi...

  16. A non-destructive surface burn detection method for ferrous metals based on acoustic emission and ensemble empirical mode decomposition: from laser simulation to grinding process

    International Nuclear Information System (INIS)

    Yang, Zhensheng; Wu, Haixi; Yu, Zhonghua; Huang, Youfang

    2014-01-01

    Grinding is usually done in the final finishing of a component. As a result, the surface quality of finished products, e.g., surface roughness, hardness and residual stress, are affected by the grinding procedure. However, the lack of methods for monitoring of grinding makes it difficult to control the quality of the process. This paper focuses on the monitoring approaches for the surface burn phenomenon in grinding. A non-destructive burn detection method based on acoustic emission (AE) and ensemble empirical mode decomposition (EEMD) was proposed for this purpose. To precisely extract the AE features caused by phase transformation during burn formation, artificial burn was produced to mimic grinding burn by means of laser irradiation, since laser-induced burn involves less mechanical and electrical noise. The burn formation process was monitored by an AE sensor. The frequency band ranging from 150 to 400 kHz was believed to be related to surface burn formation in the laser irradiation process. The burn-sensitive frequency band was further used to instruct feature extraction during the grinding process based on EEMD. Linear classification results evidenced a distinct margin between samples with and without surface burn. This work provides a practical means for grinding burn detection. (paper)

  17. Modern Canonical Quantum General Relativity

    Science.gov (United States)

    Thiemann, Thomas

    2008-11-01

    Preface; Notation and conventions; Introduction; Part I. Classical Foundations, Interpretation and the Canonical Quantisation Programme: 1. Classical Hamiltonian formulation of general relativity; 2. The problem of time, locality and the interpretation of quantum mechanics; 3. The programme of canonical quantisation; 4. The new canonical variables of Ashtekar for general relativity; Part II. Foundations of Modern Canonical Quantum General Relativity: 5. Introduction; 6. Step I: the holonomy-flux algebra [P]; 7. Step II: quantum-algebra; 8. Step III: representation theory of [A]; 9. Step IV: 1. Implementation and solution of the kinematical constraints; 10. Step V: 2. Implementation and solution of the Hamiltonian constraint; 11. Step VI: semiclassical analysis; Part III. Physical Applications: 12. Extension to standard matter; 13. Kinematical geometrical operators; 14. Spin foam models; 15. Quantum black hole physics; 16. Applications to particle physics and quantum cosmology; 17. Loop quantum gravity phenomenology; Part IV. Mathematical Tools and their Connection to Physics: 18. Tools from general topology; 19. Differential, Riemannian, symplectic and complex geometry; 20. Semianalytical category; 21. Elements of fibre bundle theory; 22. Holonomies on non-trivial fibre bundles; 23. Geometric quantisation; 24. The Dirac algorithm for field theories with constraints; 25. Tools from measure theory; 26. Elementary introduction to Gel'fand theory for Abelean C* algebras; 27. Bohr compactification of the real line; 28. Operatir -algebras and spectral theorem; 29. Refined algebraic quantisation (RAQ) and direct integral decomposition (DID); 30. Basics of harmonic analysis on compact Lie groups; 31. Spin network functions for SU(2); 32. + Functional analytical description of classical connection dynamics; Bibliography; Index.

  18. Canonical formalism for relativistic dynamics

    International Nuclear Information System (INIS)

    Penafiel-Nava, V.M.

    1982-01-01

    The possibility of a canonical formalism appropriate for a dynamical theory of isolated relativistic multiparticle systems involving scalar interactions is studied. It is shown that a single time-parameter structure satisfying the requirements of Poincare invariance and simultaneity of the constituents (global tranversality) can not be derived from a homogeneous Lagrangian. The dynamics is deduced initially from a non-homogeneous but singular Lagrangian designed to accommodate the global tranversality constraints with the equaltime plane associated to the total momentum of the system. An equivalent standard Lagrangian is used to generalize the parametrization procedure which is referred to an arbitrary geodesic in Minkowski space. The equations of motion and the definition of center of momentum are invariant with respect to the choice of geodesic and the entire formalism becomes separable. In the original 8N-dimensional phase-space, the symmetries of the Lagrangian give rise to a canonical realization of a fifteen-generator Lie algebra which is projected in the 6N dimensional hypersurface of dynamical motions. The time-component of the total momentum is thus reduced to a neutral element and the canonical Hamiltonian survives as the only generator for time-translations so that the no-interaction theorem becomes inapplicable

  19. Orbital magnetism in ensembles of ballistic billiards

    International Nuclear Information System (INIS)

    Ullmo, D.; Richter, K.; Jalabert, R.A.

    1993-01-01

    The magnetic response of ensembles of small two-dimensional structures at finite temperatures is calculated. Using semiclassical methods and numerical calculation it is demonstrated that only short classical trajectories are relevant. The magnetic susceptibility is enhanced in regular systems, where these trajectories appear in families. For ensembles of squares large paramagnetic susceptibility is obtained, in good agreement with recent measurements in the ballistic regime. (authors). 20 refs., 2 figs

  20. Room-temperature and temperature-dependent QSRR modelling for predicting the nitrate radical reaction rate constants of organic chemicals using ensemble learning methods.

    Science.gov (United States)

    Gupta, S; Basant, N; Mohan, D; Singh, K P

    2016-07-01

    Experimental determinations of the rate constants of the reaction of NO3 with a large number of organic chemicals are tedious, and time and resource intensive; and the development of computational methods has widely been advocated. In this study, we have developed room-temperature (298 K) and temperature-dependent quantitative structure-reactivity relationship (QSRR) models based on the ensemble learning approaches (decision tree forest (DTF) and decision treeboost (DTB)) for predicting the rate constant of the reaction of NO3 radicals with diverse organic chemicals, under OECD guidelines. Predictive powers of the developed models were established in terms of statistical coefficients. In the test phase, the QSRR models yielded a correlation (r(2)) of >0.94 between experimental and predicted rate constants. The applicability domains of the constructed models were determined. An attempt has been made to provide the mechanistic interpretation of the selected features for QSRR development. The proposed QSRR models outperformed the previous reports, and the temperature-dependent models offered a much wider applicability domain. This is the first report presenting a temperature-dependent QSRR model for predicting the nitrate radical reaction rate constant at different temperatures. The proposed models can be useful tools in predicting the reactivities of chemicals towards NO3 radicals in the atmosphere, hence, their persistence and exposure risk assessment.

  1. Enhancing the discrimination accuracy between metastases, gliomas and meningiomas on brain MRI by volumetric textural features and ensemble pattern recognition methods.

    Science.gov (United States)

    Georgiadis, Pantelis; Cavouras, Dionisis; Kalatzis, Ioannis; Glotsos, Dimitris; Athanasiadis, Emmanouil; Kostopoulos, Spiros; Sifaki, Koralia; Malamas, Menelaos; Nikiforidis, George; Solomou, Ekaterini

    2009-01-01

    Three-dimensional (3D) texture analysis of volumetric brain magnetic resonance (MR) images has been identified as an important indicator for discriminating among different brain pathologies. The purpose of this study was to evaluate the efficiency of 3D textural features using a pattern recognition system in the task of discriminating benign, malignant and metastatic brain tissues on T1 postcontrast MR imaging (MRI) series. The dataset consisted of 67 brain MRI series obtained from patients with verified and untreated intracranial tumors. The pattern recognition system was designed as an ensemble classification scheme employing a support vector machine classifier, specially modified in order to integrate the least squares features transformation logic in its kernel function. The latter, in conjunction with using 3D textural features, enabled boosting up the performance of the system in discriminating metastatic, malignant and benign brain tumors with 77.14%, 89.19% and 93.33% accuracy, respectively. The method was evaluated using an external cross-validation process; thus, results might be considered indicative of the generalization performance of the system to "unseen" cases. The proposed system might be used as an assisting tool for brain tumor characterization on volumetric MRI series.

  2. Canonical group quantization and boundary conditions

    International Nuclear Information System (INIS)

    Jung, Florian

    2012-01-01

    In the present thesis, we study quantization of classical systems with non-trivial phase spaces using the group-theoretical quantization technique proposed by Isham. Our main goal is a better understanding of global and topological aspects of quantum theory. In practice, the group-theoretical approach enables direct quantization of systems subject to constraints and boundary conditions in a natural and physically transparent manner -- cases for which the canonical quantization method of Dirac fails. First, we provide a clarification of the quantization formalism. In contrast to prior treatments, we introduce a sharp distinction between the two group structures that are involved and explain their physical meaning. The benefit is a consistent and conceptually much clearer construction of the Canonical Group. In particular, we shed light upon the 'pathological' case for which the Canonical Group must be defined via a central Lie algebra extension and emphasise the role of the central extension in general. In addition, we study direct quantization of a particle restricted to a half-line with 'hard wall' boundary condition. Despite the apparent simplicity of this example, we show that a naive quantization attempt based on the cotangent bundle over the half-line as classical phase space leads to an incomplete quantum theory; the reflection which is a characteristic aspect of the 'hard wall' is not reproduced. Instead, we propose a different phase space that realises the necessary boundary condition as a topological feature and demonstrate that quantization yields a suitable quantum theory for the half-line model. The insights gained in the present special case improve our understanding of the relation between classical and quantum theory and illustrate how contact interactions may be incorporated.

  3. Canonical group quantization and boundary conditions

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Florian

    2012-07-16

    In the present thesis, we study quantization of classical systems with non-trivial phase spaces using the group-theoretical quantization technique proposed by Isham. Our main goal is a better understanding of global and topological aspects of quantum theory. In practice, the group-theoretical approach enables direct quantization of systems subject to constraints and boundary conditions in a natural and physically transparent manner -- cases for which the canonical quantization method of Dirac fails. First, we provide a clarification of the quantization formalism. In contrast to prior treatments, we introduce a sharp distinction between the two group structures that are involved and explain their physical meaning. The benefit is a consistent and conceptually much clearer construction of the Canonical Group. In particular, we shed light upon the 'pathological' case for which the Canonical Group must be defined via a central Lie algebra extension and emphasise the role of the central extension in general. In addition, we study direct quantization of a particle restricted to a half-line with 'hard wall' boundary condition. Despite the apparent simplicity of this example, we show that a naive quantization attempt based on the cotangent bundle over the half-line as classical phase space leads to an incomplete quantum theory; the reflection which is a characteristic aspect of the 'hard wall' is not reproduced. Instead, we propose a different phase space that realises the necessary boundary condition as a topological feature and demonstrate that quantization yields a suitable quantum theory for the half-line model. The insights gained in the present special case improve our understanding of the relation between classical and quantum theory and illustrate how contact interactions may be incorporated.

  4. Statistical Analysis of Protein Ensembles

    Science.gov (United States)

    Máté, Gabriell; Heermann, Dieter

    2014-04-01

    As 3D protein-configuration data is piling up, there is an ever-increasing need for well-defined, mathematically rigorous analysis approaches, especially that the vast majority of the currently available methods rely heavily on heuristics. We propose an analysis framework which stems from topology, the field of mathematics which studies properties preserved under continuous deformations. First, we calculate a barcode representation of the molecules employing computational topology algorithms. Bars in this barcode represent different topological features. Molecules are compared through their barcodes by statistically determining the difference in the set of their topological features. As a proof-of-principle application, we analyze a dataset compiled of ensembles of different proteins, obtained from the Ensemble Protein Database. We demonstrate that our approach correctly detects the different protein groupings.

  5. Various multistage ensembles for prediction of heating energy consumption

    Directory of Open Access Journals (Sweden)

    Radisa Jovanovic

    2015-04-01

    Full Text Available Feedforward neural network models are created for prediction of daily heating energy consumption of a NTNU university campus Gloshaugen using actual measured data for training and testing. Improvement of prediction accuracy is proposed by using neural network ensemble. Previously trained feed-forward neural networks are first separated into clusters, using k-means algorithm, and then the best network of each cluster is chosen as member of an ensemble. Two conventional averaging methods for obtaining ensemble output are applied; simple and weighted. In order to achieve better prediction results, multistage ensemble is investigated. As second level, adaptive neuro-fuzzy inference system with various clustering and membership functions are used to aggregate the selected ensemble members. Feedforward neural network in second stage is also analyzed. It is shown that using ensemble of neural networks can predict heating energy consumption with better accuracy than the best trained single neural network, while the best results are achieved with multistage ensemble.

  6. Predicting human splicing branchpoints by combining sequence-derived features and multi-label learning methods.

    Science.gov (United States)

    Zhang, Wen; Zhu, Xiaopeng; Fu, Yu; Tsuji, Junko; Weng, Zhiping

    2017-12-01

    Alternative splicing is the critical process in a single gene coding, which removes introns and joins exons, and splicing branchpoints are indicators for the alternative splicing. Wet experiments have identified a great number of human splicing branchpoints, but many branchpoints are still unknown. In order to guide wet experiments, we develop computational methods to predict human splicing branchpoints. Considering the fact that an intron may have multiple branchpoints, we transform the branchpoint prediction as the multi-label learning problem, and attempt to predict branchpoint sites from intron sequences. First, we investigate a variety of intron sequence-derived features, such as sparse profile, dinucleotide profile, position weight matrix profile, Markov motif profile and polypyrimidine tract profile. Second, we consider several multi-label learning methods: partial least squares regression, canonical correlation analysis and regularized canonical correlation analysis, and use them as the basic classification engines. Third, we propose two ensemble learning schemes which integrate different features and different classifiers to build ensemble learning systems for the branchpoint prediction. One is the genetic algorithm-based weighted average ensemble method; the other is the logistic regression-based ensemble method. In the computational experiments, two ensemble learning methods outperform benchmark branchpoint prediction methods, and can produce high-accuracy results on the benchmark dataset.

  7. AUC-Maximizing Ensembles through Metalearning.

    Science.gov (United States)

    LeDell, Erin; van der Laan, Mark J; Petersen, Maya

    2016-05-01

    Area Under the ROC Curve (AUC) is often used to measure the performance of an estimator in binary classification problems. An AUC-maximizing classifier can have significant advantages in cases where ranking correctness is valued or if the outcome is rare. In a Super Learner ensemble, maximization of the AUC can be achieved by the use of an AUC-maximining metalearning algorithm. We discuss an implementation of an AUC-maximization technique that is formulated as a nonlinear optimization problem. We also evaluate the effectiveness of a large number of different nonlinear optimization algorithms to maximize the cross-validated AUC of the ensemble fit. The results provide evidence that AUC-maximizing metalearners can, and often do, out-perform non-AUC-maximizing metalearning methods, with respect to ensemble AUC. The results also demonstrate that as the level of imbalance in the training data increases, the Super Learner ensemble outperforms the top base algorithm by a larger degree.

  8. A brief history of the introduction of generalized ensembles to Markov chain Monte Carlo simulations

    Science.gov (United States)

    Berg, Bernd A.

    2017-03-01

    The most efficient weights for Markov chain Monte Carlo calculations of physical observables are not necessarily those of the canonical ensemble. Generalized ensembles, which do not exist in nature but can be simulated on computers, lead often to a much faster convergence. In particular, they have been used for simulations of first order phase transitions and for simulations of complex systems in which conflicting constraints lead to a rugged free energy landscape. Starting off with the Metropolis algorithm and Hastings' extension, I present a minireview which focuses on the explosive use of generalized ensembles in the early 1990s. Illustrations are given, which range from spin models to peptides.

  9. Generalized canonical analysis based on optimizing matrix correlations and a relation with IDIOSCAL

    NARCIS (Netherlands)

    Kiers, Henk A.L.; Cléroux, R.; Ten Berge, Jos M.F.

    1994-01-01

    Carroll's method for generalized canonical analysis of two or more sets of variables is shown to optimize the sum of squared inner-product matrix correlations between a consensus matrix and matrices with canonical variates for each set of variables. In addition, the method that analogously optimizes

  10. 'Lazy' quantum ensembles

    International Nuclear Information System (INIS)

    Parfionov, George; Zapatrin, Roman

    2006-01-01

    We compare different strategies aimed to prepare an ensemble with a given density matrix ρ. Preparing the ensemble of eigenstates of ρ with appropriate probabilities can be treated as 'generous' strategy: it provides maximal accessible information about the state. Another extremity is the so-called 'Scrooge' ensemble, which is mostly stingy in sharing the information. We introduce 'lazy' ensembles which require minimal effort to prepare the density matrix by selecting pure states with respect to completely random choice. We consider two parties, Alice and Bob, playing a kind of game. Bob wishes to guess which pure state is prepared by Alice. His null hypothesis, based on the lack of any information about Alice's intention, is that Alice prepares any pure state with equal probability. Then, the average quantum state measured by Bob turns out to be ρ, and he has to make a new hypothesis about Alice's intention solely based on the information that the observed density matrix is ρ. The arising 'lazy' ensemble is shown to be the alternative hypothesis which minimizes type I error

  11. The semantic similarity ensemble

    Directory of Open Access Journals (Sweden)

    Andrea Ballatore

    2013-12-01

    Full Text Available Computational measures of semantic similarity between geographic terms provide valuable support across geographic information retrieval, data mining, and information integration. To date, a wide variety of approaches to geo-semantic similarity have been devised. A judgment of similarity is not intrinsically right or wrong, but obtains a certain degree of cognitive plausibility, depending on how closely it mimics human behavior. Thus selecting the most appropriate measure for a specific task is a significant challenge. To address this issue, we make an analogy between computational similarity measures and soliciting domain expert opinions, which incorporate a subjective set of beliefs, perceptions, hypotheses, and epistemic biases. Following this analogy, we define the semantic similarity ensemble (SSE as a composition of different similarity measures, acting as a panel of experts having to reach a decision on the semantic similarity of a set of geographic terms. The approach is evaluated in comparison to human judgments, and results indicate that an SSE performs better than the average of its parts. Although the best member tends to outperform the ensemble, all ensembles outperform the average performance of each ensemble's member. Hence, in contexts where the best measure is unknown, the ensemble provides a more cognitively plausible approach.

  12. Canonical trivialization of gravitational gradients

    International Nuclear Information System (INIS)

    Niedermaier, Max

    2017-01-01

    A one-parameter family of canonical transformations is constructed that reduces the Hamiltonian form of the Einstein–Hilbert action to its strong coupling limit where dynamical spatial gradients are absent. The parameter can alternatively be viewed as the overall scale of the spatial metric or as a fractional inverse power of Newton’s constant. The generating function of the canonical transformation is constructed iteratively as a powerseries in the parameter to all orders. The algorithm draws on Lie–Deprit transformation theory and defines a ‘trivialization map’ with several bonus properties: (i) Trivialization of the Hamiltonian constraint implies that of the action while the diffeomorphism constraint is automatically co-transformed. (ii) Only a set of ordinary differential equations needs to be solved to drive the iteration via a homological equation where no gauge fixing is required. (iii) In contrast to (the classical limit of) a Lagrangian trivialization map the algorithm also produces series solutions of the field equations. (iv) In the strong coupling theory temporal gauge variations are abelian, nevertheless the map intertwines with the respective gauge symmetries on the action, the field equations, and their solutions. (paper)

  13. Canonical trivialization of gravitational gradients

    Science.gov (United States)

    Niedermaier, Max

    2017-06-01

    A one-parameter family of canonical transformations is constructed that reduces the Hamiltonian form of the Einstein-Hilbert action to its strong coupling limit where dynamical spatial gradients are absent. The parameter can alternatively be viewed as the overall scale of the spatial metric or as a fractional inverse power of Newton’s constant. The generating function of the canonical transformation is constructed iteratively as a powerseries in the parameter to all orders. The algorithm draws on Lie-Deprit transformation theory and defines a ‘trivialization map’ with several bonus properties: (i) Trivialization of the Hamiltonian constraint implies that of the action while the diffeomorphism constraint is automatically co-transformed. (ii) Only a set of ordinary differential equations needs to be solved to drive the iteration via a homological equation where no gauge fixing is required. (iii) In contrast to (the classical limit of) a Lagrangian trivialization map the algorithm also produces series solutions of the field equations. (iv) In the strong coupling theory temporal gauge variations are abelian, nevertheless the map intertwines with the respective gauge symmetries on the action, the field equations, and their solutions.

  14. Sensitivity of monthly streamflow forecasts to the quality of rainfall forcing: When do dynamical climate forecasts outperform the Ensemble Streamflow Prediction (ESP) method?

    Science.gov (United States)

    Tanguy, M.; Prudhomme, C.; Harrigan, S.; Smith, K. A.; Parry, S.

    2017-12-01

    Forecasting hydrological extremes is challenging, especially at lead times over 1 month for catchments with limited hydrological memory and variable climates. One simple way to derive monthly or seasonal hydrological forecasts is to use historical climate data to drive hydrological models using the Ensemble Streamflow Prediction (ESP) method. This gives a range of possible future streamflow given known initial hydrologic conditions alone. The degree of skill of ESP depends highly on the forecast initialisation month and catchment type. Using dynamic rainfall forecasts as driving data instead of historical data could potentially improve streamflow predictions. A lot of effort is being invested within the meteorological community to improve these forecasts. However, while recent progress shows promise (e.g. NAO in winter), the skill of these forecasts at monthly to seasonal timescales is generally still limited, and the extent to which they might lead to improved hydrological forecasts is an area of active research. Additionally, these meteorological forecasts are currently being produced at 1 month or seasonal time-steps in the UK, whereas hydrological models require forcings at daily or sub-daily time-steps. Keeping in mind these limitations of available rainfall forecasts, the objectives of this study are to find out (i) how accurate monthly dynamical rainfall forecasts need to be to outperform ESP, and (ii) how the method used to disaggregate monthly rainfall forecasts into daily rainfall time series affects results. For the first objective, synthetic rainfall time series were created by increasingly degrading observed data (proxy for a `perfect forecast') from 0 % to +/-50 % error. For the second objective, three different methods were used to disaggregate monthly rainfall data into daily time series. These were used to force a simple lumped hydrological model (GR4J) to generate streamflow predictions at a one-month lead time for over 300 catchments

  15. Canonical Entropy and Phase Transition of Rotating Black Hole

    International Nuclear Information System (INIS)

    Ren, Zhao; Yue-Qin, Wu; Li-Chun, Zhang

    2008-01-01

    Recently, the Hawking radiation of a black hole has been studied using the tunnel effect method. The radiation spectrum of a black hole is derived. By discussing the correction to spectrum of the rotating black hole, we obtain the canonical entropy. The derived canonical entropy is equal to the sum of Bekenstein–Hawking entropy and correction term. The correction term near the critical point is different from the one near others. This difference plays an important role in studying the phase transition of the black hole. The black hole thermal capacity diverges at the critical point. However, the canonical entropy is not a complex number at this point. Thus we think that the phase transition created by this critical point is the second order phase transition. The discussed black hole is a five-dimensional Kerr-AdS black hole. We provide a basis for discussing thermodynamic properties of a higher-dimensional rotating black hole. (general)

  16. Canonical representations of the Lie superalgebra osp(1,4)

    International Nuclear Information System (INIS)

    Blank, J.; Havlicek, M.; Lassner, W.; Bednar, M.

    1981-06-01

    The method for constructing infinite dimensional representations of Lie superalgebras proposed by the authors recently is applied to the superalgebra osp(1,4). Explicit formulae for its generators in terms of two or three pairs of operators fulfilling the canonical commutation relations, at most one pair of operators fulfilling the canonical anticommutation relations and at most one real parameter are obtained. The generators of the Lie subalgebra sp(4,IR) contains osp(1,4) are represented skew-symmetrically and both Casimir operators are equal to multiples of the unity operator. (author)

  17. A Nonlinear GMRES Optimization Algorithm for Canonical Tensor Decomposition

    OpenAIRE

    De Sterck, Hans

    2011-01-01

    A new algorithm is presented for computing a canonical rank-R tensor approximation that has minimal distance to a given tensor in the Frobenius norm, where the canonical rank-R tensor consists of the sum of R rank-one components. Each iteration of the method consists of three steps. In the first step, a tentative new iterate is generated by a stand-alone one-step process, for which we use alternating least squares (ALS). In the second step, an accelerated iterate is generated by a nonlinear g...

  18. Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm.

    Science.gov (United States)

    Chen, Yunjie; Kale, Seyit; Weare, Jonathan; Dinner, Aaron R; Roux, Benoît

    2016-04-12

    A multiple time-step integrator based on a dual Hamiltonian and a hybrid method combining molecular dynamics (MD) and Monte Carlo (MC) is proposed to sample systems in the canonical ensemble. The Dual Hamiltonian Multiple Time-Step (DHMTS) algorithm is based on two similar Hamiltonians: a computationally expensive one that serves as a reference and a computationally inexpensive one to which the workload is shifted. The central assumption is that the difference between the two Hamiltonians is slowly varying. Earlier work has shown that such dual Hamiltonian multiple time-step schemes effectively precondition nonlinear differential equations for dynamics by reformulating them into a recursive root finding problem that can be solved by propagating a correction term through an internal loop, analogous to RESPA. Of special interest in the present context, a hybrid MD-MC version of the DHMTS algorithm is introduced to enforce detailed balance via a Metropolis acceptance criterion and ensure consistency with the Boltzmann distribution. The Metropolis criterion suppresses the discretization errors normally associated with the propagation according to the computationally inexpensive Hamiltonian, treating the discretization error as an external work. Illustrative tests are carried out to demonstrate the effectiveness of the method.

  19. Ensemble-Based Data Assimilation in Reservoir Characterization: A Review

    Directory of Open Access Journals (Sweden)

    Seungpil Jung

    2018-02-01

    Full Text Available This paper presents a review of ensemble-based data assimilation for strongly nonlinear problems on the characterization of heterogeneous reservoirs with different production histories. It concentrates on ensemble Kalman filter (EnKF and ensemble smoother (ES as representative frameworks, discusses their pros and cons, and investigates recent progress to overcome their drawbacks. The typical weaknesses of ensemble-based methods are non-Gaussian parameters, improper prior ensembles and finite population size. Three categorized approaches, to mitigate these limitations, are reviewed with recent accomplishments; improvement of Kalman gains, add-on of transformation functions, and independent evaluation of observed data. The data assimilation in heterogeneous reservoirs, applying the improved ensemble methods, is discussed on predicting unknown dynamic data in reservoir characterization.

  20. Supersymmetry applied to the spectrum edge of random matrix ensembles

    International Nuclear Information System (INIS)

    Andreev, A.V.; Simons, B.D.; Taniguchi, N.

    1994-01-01

    A new matrix ensemble has recently been proposed to describe the transport properties in mesoscopic quantum wires. Both analytical and numerical studies have shown that the ensemble of Laguerre or of chiral random matrices provides a good description of scattering properties in this class of systems. Until now only conventional methods of random matrix theory have been used to study statistical properties within this ensemble. We demonstrate that the supersymmetry method, already employed in the study Dyson ensembles, can be extended to treat this class of random matrix ensembles. In developing this approach we investigate both new, as well as verify known statistical measures. Although we focus on ensembles in which T-invariance is violated our approach lays the foundation for future studies of T-invariant systems. ((orig.))

  1. Monthly ENSO Forecast Skill and Lagged Ensemble Size

    Science.gov (United States)

    Trenary, L.; DelSole, T.; Tippett, M. K.; Pegion, K.

    2018-04-01

    The mean square error (MSE) of a lagged ensemble of monthly forecasts of the Niño 3.4 index from the Climate Forecast System (CFSv2) is examined with respect to ensemble size and configuration. Although the real-time forecast is initialized 4 times per day, it is possible to infer the MSE for arbitrary initialization frequency and for burst ensembles by fitting error covariances to a parametric model and then extrapolating to arbitrary ensemble size and initialization frequency. Applying this method to real-time forecasts, we find that the MSE consistently reaches a minimum for a lagged ensemble size between one and eight days, when four initializations per day are included. This ensemble size is consistent with the 8-10 day lagged ensemble configuration used operationally. Interestingly, the skill of both ensemble configurations is close to the estimated skill of the infinite ensemble. The skill of the weighted, lagged, and burst ensembles are found to be comparable. Certain unphysical features of the estimated error growth were tracked down to problems with the climatology and data discontinuities.

  2. Correspondence and canonicity in non-classical logic

    NARCIS (Netherlands)

    Sourabh, S.

    2015-01-01

    In this thesis we study correspondence and canonicity for non-classical logic using algebraic and order-topological methods. Correspondence theory is aimed at answering the question of how precisely modal, first-order, second-order languages interact and overlap in their shared semantic environment.

  3. Uncertainty relations, zero point energy and the linear canonical group

    Science.gov (United States)

    Sudarshan, E. C. G.

    1993-01-01

    The close relationship between the zero point energy, the uncertainty relations, coherent states, squeezed states, and correlated states for one mode is investigated. This group-theoretic perspective enables the parametrization and identification of their multimode generalization. In particular the generalized Schroedinger-Robertson uncertainty relations are analyzed. An elementary method of determining the canonical structure of the generalized correlated states is presented.

  4. Neural Network Ensembles

    DEFF Research Database (Denmark)

    Hansen, Lars Kai; Salamon, Peter

    1990-01-01

    We propose several means for improving the performance an training of neural networks for classification. We use crossvalidation as a tool for optimizing network parameters and architecture. We show further that the remaining generalization error can be reduced by invoking ensembles of similar...... networks....

  5. Improved effective potential by nonlinear canonical transformations

    International Nuclear Information System (INIS)

    Ritschel, U.

    1990-01-01

    We generalize the familiar gaussian-effective-potential formalism to a class of non-gaussian trial states. With the help of exact nonlinear canonical transformations, expectation values can be calculated analytically and in closed form. A detailed description of our method, particularly for quadratic and cubic transformations, and of the related renormalization procedure is given. Applications to φ 4 -models in various dimensionalities are treated. We find the expected critical behaviour in two space-time dimensions. In three and four dimensions we observe instabilities which go back the incompleteness of the gaussian-based renormalization. In the appendices it is shown that the quadratic transformation leads to a coherent state in a certain limiting case, and the generalization to systems at finite temperature is performed. (orig.)

  6. A simple algorithm for computing canonical forms

    Science.gov (United States)

    Ford, H.; Hunt, L. R.; Renjeng, S.

    1986-01-01

    It is well known that all linear time-invariant controllable systems can be transformed to Brunovsky canonical form by a transformation consisting only of coordinate changes and linear feedback. However, the actual procedures for doing this have tended to be overly complex. The technique introduced here is envisioned as an on-line procedure and is inspired by George Meyer's tangent model for nonlinear systems. The process utilizes Meyer's block triangular form as an intermedicate step in going to Brunovsky form. The method also involves orthogonal matrices, thus eliminating the need for the computation of matrix inverses. In addition, the Kronecker indices can be computed as a by-product of this transformation so it is necessary to know them in advance.

  7. Encoding of Spatial Attention by Primate Prefrontal Cortex Neuronal Ensembles

    Science.gov (United States)

    Treue, Stefan

    2018-01-01

    Abstract Single neurons in the primate lateral prefrontal cortex (LPFC) encode information about the allocation of visual attention and the features of visual stimuli. However, how this compares to the performance of neuronal ensembles at encoding the same information is poorly understood. Here, we recorded the responses of neuronal ensembles in the LPFC of two macaque monkeys while they performed a task that required attending to one of two moving random dot patterns positioned in different hemifields and ignoring the other pattern. We found single units selective for the location of the attended stimulus as well as for its motion direction. To determine the coding of both variables in the population of recorded units, we used a linear classifier and progressively built neuronal ensembles by iteratively adding units according to their individual performance (best single units), or by iteratively adding units based on their contribution to the ensemble performance (best ensemble). For both methods, ensembles of relatively small sizes (n decoding performance relative to individual single units. However, the decoder reached similar performance using fewer neurons with the best ensemble building method compared with the best single units method. Our results indicate that neuronal ensembles within the LPFC encode more information about the attended spatial and nonspatial features of visual stimuli than individual neurons. They further suggest that efficient coding of attention can be achieved by relatively small neuronal ensembles characterized by a certain relationship between signal and noise correlation structures. PMID:29568798

  8. Hamiltonian formalism, quantization and S matrix for supergravity. [S matrix, canonical constraints

    Energy Technology Data Exchange (ETDEWEB)

    Fradkin, E S; Vasiliev, M A [AN SSSR, Moscow. Fizicheskij Inst.

    1977-12-05

    The canonical formalism for supergravity is constructed. The algebra of canonical constraints is found. The correct expression for the S matrix is obtained. Usual 'covariant methods' lead to an incorrect S matrix in supergravity since a new four-particle interaction of ghostfields survives in the Lagrangian expression of the S matrix.

  9. Log canonical thresholds of smooth Fano threefolds

    International Nuclear Information System (INIS)

    Cheltsov, Ivan A; Shramov, Konstantin A

    2008-01-01

    The complex singularity exponent is a local invariant of a holomorphic function determined by the integrability of fractional powers of the function. The log canonical thresholds of effective Q-divisors on normal algebraic varieties are algebraic counterparts of complex singularity exponents. For a Fano variety, these invariants have global analogues. In the former case, it is the so-called α-invariant of Tian; in the latter case, it is the global log canonical threshold of the Fano variety, which is the infimum of log canonical thresholds of all effective Q-divisors numerically equivalent to the anticanonical divisor. An appendix to this paper contains a proof that the global log canonical threshold of a smooth Fano variety coincides with its α-invariant of Tian. The purpose of the paper is to compute the global log canonical thresholds of smooth Fano threefolds (altogether, there are 105 deformation families of such threefolds). The global log canonical thresholds are computed for every smooth threefold in 64 deformation families, and the global log canonical thresholds are computed for a general threefold in 20 deformation families. Some bounds for the global log canonical thresholds are computed for 14 deformation families. Appendix A is due to J.-P. Demailly.

  10. The Current Canon in British Romantics Studies.

    Science.gov (United States)

    Linkin, Harriet Kramer

    1991-01-01

    Describes and reports on a survey of 164 U.S. universities to ascertain what is taught as the current canon of British Romantic literature. Asserts that the canon may now include Mary Shelley with the former standard six major male Romantic poets, indicating a significant emergence of a feminist perspective on British Romanticism in the classroom.…

  11. Moving Targets: Constructing Canons, 2013–2014

    OpenAIRE

    Hirsch, BD

    2015-01-01

    This review essay considers early modern dramatic authorship and canons in the context of two recent publications: an anthology of plays -- William Shakespeare and Others: Collaborative Plays (2013), edited by Jonathan Bate and Eric Rasmussen as a companion volume to the RSC Complete Works -- and a monograph study -- Jeremy Lopez's Constructing the Canon of Early Modern Drama (2014).

  12. Modern Canonical Quantum General Relativity;

    International Nuclear Information System (INIS)

    Kiefer, Claus

    2008-01-01

    The open problem of constructing a consistent and experimentally tested quantum theory of the gravitational field has its place at the heart of fundamental physics. The main approaches can be roughly divided into two classes: either one seeks a unified quantum framework of all interactions or one starts with a direct quantization of general relativity. In the first class, string theory (M-theory) is the only known example. In the second class, one can make an additional methodological distinction: while covariant approaches such as path-integral quantization use the four-dimensional metric as an essential ingredient of their formalism, canonical approaches start with a foliation of spacetime into spacelike hypersurfaces in order to arrive at a Hamiltonian formulation. The present book is devoted to one of the canonical approaches-loop quantum gravity. It is named modern canonical quantum general relativity by the author because it uses connections and holonomies as central variables, which are analogous to the variables used in Yang-Mills theories. In fact, the canonically conjugate variables are a holonomy of a connection and the flux of a non-Abelian electric field. This has to be contrasted with the older geometrodynamical approach in which the metric of three-dimensional space and the second fundamental form are the fundamental entities, an approach which is still actively being pursued. It is the author's ambition to present loop quantum gravity in a way in which every step is formulated in a mathematically rigorous form. The formal Leitmotiv of loop quantum gravity is background independence. Non-gravitational theories are usually quantized on a given non-dynamical background. In contrast, due to the geometrical nature of gravity, no such background exists in quantum gravity. Instead, the notion of a background is supposed to emerge a posteriori as an approximate notion from quantum states of geometry. As a consequence, the standard ultraviolet divergences of

  13. Bayesian ensemble refinement by replica simulations and reweighting

    Science.gov (United States)

    Hummer, Gerhard; Köfinger, Jürgen

    2015-12-01

    We describe different Bayesian ensemble refinement methods, examine their interrelation, and discuss their practical application. With ensemble refinement, the properties of dynamic and partially disordered (bio)molecular structures can be characterized by integrating a wide range of experimental data, including measurements of ensemble-averaged observables. We start from a Bayesian formulation in which the posterior is a functional that ranks different configuration space distributions. By maximizing this posterior, we derive an optimal Bayesian ensemble distribution. For discrete configurations, this optimal distribution is identical to that obtained by the maximum entropy "ensemble refinement of SAXS" (EROS) formulation. Bayesian replica ensemble refinement enhances the sampling of relevant configurations by imposing restraints on averages of observables in coupled replica molecular dynamics simulations. We show that the strength of the restraints should scale linearly with the number of replicas to ensure convergence to the optimal Bayesian result in the limit of infinitely many replicas. In the "Bayesian inference of ensembles" method, we combine the replica and EROS approaches to accelerate the convergence. An adaptive algorithm can be used to sample directly from the optimal ensemble, without replicas. We discuss the incorporation of single-molecule measurements and dynamic observables such as relaxation parameters. The theoretical analysis of different Bayesian ensemble refinement approaches provides a basis for practical applications and a starting point for further investigations.

  14. Lattice gauge theory in the microcanonical ensemble

    International Nuclear Information System (INIS)

    Callaway, D.J.E.; Rahman, A.

    1983-01-01

    The microcanonical-ensemble formulation of lattice gauge theory proposed recently is examined in detail. Expectation values in this new ensemble are determined by solving a large set of coupled ordinary differential equations, after the fashion of a molecular dynamics simulation. Following a brief review of the microcanonical ensemble, calculations are performed for the gauge groups U(1), SU(2), and SU(3). The results are compared and contrasted with standard methods of computation. Several advantages of the new formalism are noted. For example, no random numbers are required to update the system. Also, this update is performed in a simultaneous fashion. Thus the microcanonical method presumably adapts well to parallel processing techniques, especially when the p action is highly nonlocal (such as when fermions are included)

  15. An ensemble based nonlinear orthogonal matching pursuit algorithm for sparse history matching of reservoir models

    KAUST Repository

    Fsheikh, Ahmed H.; Wheeler, Mary Fanett; Hoteit, Ibrahim

    2013-01-01

    the dictionary, the solution is obtained by applying Tikhonov regularization. The proposed algorithm relies on approximate gradient estimation using an iterative stochastic ensemble method (ISEM). ISEM utilizes an ensemble of directional derivatives

  16. Tailored Random Graph Ensembles

    International Nuclear Information System (INIS)

    Roberts, E S; Annibale, A; Coolen, A C C

    2013-01-01

    Tailored graph ensembles are a developing bridge between biological networks and statistical mechanics. The aim is to use this concept to generate a suite of rigorous tools that can be used to quantify and compare the topology of cellular signalling networks, such as protein-protein interaction networks and gene regulation networks. We calculate exact and explicit formulae for the leading orders in the system size of the Shannon entropies of random graph ensembles constrained with degree distribution and degree-degree correlation. We also construct an ergodic detailed balance Markov chain with non-trivial acceptance probabilities which converges to a strictly uniform measure and is based on edge swaps that conserve all degrees. The acceptance probabilities can be generalized to define Markov chains that target any alternative desired measure on the space of directed or undirected graphs, in order to generate graphs with more sophisticated topological features.

  17. The Hydrologic Ensemble Prediction Experiment (HEPEX)

    Science.gov (United States)

    Wood, A. W.; Thielen, J.; Pappenberger, F.; Schaake, J. C.; Hartman, R. K.

    2012-12-01

    The Hydrologic Ensemble Prediction Experiment was established in March, 2004, at a workshop hosted by the European Center for Medium Range Weather Forecasting (ECMWF). With support from the US National Weather Service (NWS) and the European Commission (EC), the HEPEX goal was to bring the international hydrological and meteorological communities together to advance the understanding and adoption of hydrological ensemble forecasts for decision support in emergency management and water resources sectors. The strategy to meet this goal includes meetings that connect the user, forecast producer and research communities to exchange ideas, data and methods; the coordination of experiments to address specific challenges; and the formation of testbeds to facilitate shared experimentation. HEPEX has organized about a dozen international workshops, as well as sessions at scientific meetings (including AMS, AGU and EGU) and special issues of scientific journals where workshop results have been published. Today, the HEPEX mission is to demonstrate the added value of hydrological ensemble prediction systems (HEPS) for emergency management and water resources sectors to make decisions that have important consequences for economy, public health, safety, and the environment. HEPEX is now organised around six major themes that represent core elements of a hydrologic ensemble prediction enterprise: input and pre-processing, ensemble techniques, data assimilation, post-processing, verification, and communication and use in decision making. This poster presents an overview of recent and planned HEPEX activities, highlighting case studies that exemplify the focus and objectives of HEPEX.

  18. Ensemble-based Probabilistic Forecasting at Horns Rev

    DEFF Research Database (Denmark)

    Pinson, Pierre; Madsen, Henrik

    2009-01-01

    forecasting methodology. In a first stage, ensemble forecasts of meteorological variables are converted to power through a suitable power curve model. This modelemploys local polynomial regression, and is adoptively estimated with an orthogonal fitting method. The obtained ensemble forecasts of wind power...

  19. A canonical approach to forces in molecules

    Energy Technology Data Exchange (ETDEWEB)

    Walton, Jay R. [Department of Mathematics, Texas A& M University, College Station, TX 77843-3368 (United States); Rivera-Rivera, Luis A., E-mail: rivera@chem.tamu.edu [Department of Chemistry, Texas A& M University, College Station, TX 77843-3255 (United States); Lucchese, Robert R.; Bevan, John W. [Department of Chemistry, Texas A& M University, College Station, TX 77843-3255 (United States)

    2016-08-02

    Highlights: • Derivation of canonical representation of molecular force. • Correlation of derivations with accurate results from Born–Oppenheimer potentials. • Extension of methodology to Mg{sub 2}, benzene dimer, and water dimer. - Abstract: In previous studies, we introduced a generalized formulation for canonical transformations and spectra to investigate the concept of canonical potentials strictly within the Born–Oppenheimer approximation. Data for the most accurate available ground electronic state pairwise intramolecular potentials in H{sub 2}{sup +}, H{sub 2}, HeH{sup +}, and LiH were used to rigorously establish such conclusions. Now, a canonical transformation is derived for the molecular force, F(R), with H{sub 2}{sup +} as molecular reference. These transformations are demonstrated to be inherently canonical to high accuracy but distinctly different from those corresponding to the respective potentials of H{sub 2}, HeH{sup +}, and LiH. In this paper, we establish the canonical nature of the molecular force which is key to fundamental generalization of canonical approaches to molecular bonding. As further examples Mg{sub 2}, benzene dimer and to water dimer are also considered within the radial limit as applications of the current methodology.

  20. Understanding ensemble protein folding at atomic detail

    International Nuclear Information System (INIS)

    Wallin, Stefan; Shakhnovich, Eugene I

    2008-01-01

    Although far from routine, simulating the folding of specific short protein chains on the computer, at a detailed atomic level, is starting to become a reality. This remarkable progress, which has been made over the last decade or so, allows a fundamental aspect of the protein folding process to be addressed, namely its statistical nature. In order to make quantitative comparisons with experimental kinetic data a complete ensemble view of folding must be achieved, with key observables averaged over the large number of microscopically different folding trajectories available to a protein chain. Here we review recent advances in atomic-level protein folding simulations and the new insight provided by them into the protein folding process. An important element in understanding ensemble folding kinetics are methods for analyzing many separate folding trajectories, and we discuss techniques developed to condense the large amount of information contained in an ensemble of trajectories into a manageable picture of the folding process. (topical review)

  1. Canonical pseudotensors, Sparling's form and Noether currents

    International Nuclear Information System (INIS)

    Szabados, L.B.

    1991-09-01

    The canonical energy - momentum and spin pseudotensors of the Einstein theory are studied in two ways. First they are studied in the framework of Lagrangian formalism. It is shown, that for first order Lagrangian and rigid basis description the canonical energy - momentum, the canonical spin, and the Noether current are tensorial quantities, and the canonial energy - momentum and spin tensors satisfy the tensorial Belinfante-Rosenfeld equations. Then the differential geometric unification and reformulation of the previous different pseudotensorial approaches is given. Finally, for any vector field on the spacetime an (m-1) form, called the Noether form is defined. (K.A.) 34 refs

  2. Condensate fluctuations of interacting Bose gases within a microcanonical ensemble.

    Science.gov (United States)

    Wang, Jianhui; He, Jizhou; Ma, Yongli

    2011-05-01

    Based on counting statistics and Bogoliubov theory, we present a recurrence relation for the microcanonical partition function for a weakly interacting Bose gas with a finite number of particles in a cubic box. According to this microcanonical partition function, we calculate numerically the distribution function, condensate fraction, and condensate fluctuations for a finite and isolated Bose-Einstein condensate. For ideal and weakly interacting Bose gases, we compare the condensate fluctuations with those in the canonical ensemble. The present approach yields an accurate account of the condensate fluctuations for temperatures close to the critical region. We emphasize that the interactions between excited atoms turn out to be important for moderate temperatures.

  3. Nuclear multifragmentation within the framework of different statistical ensembles

    International Nuclear Information System (INIS)

    Aguiar, C.E.; Donangelo, R.; Souza, S.R.

    2006-01-01

    The sensitivity of the statistical multifragmentation model to the underlying statistical assumptions is investigated. We concentrate on its microcanonical, canonical, and isobaric formulations. As far as average values are concerned, our results reveal that all the ensembles make very similar predictions, as long as the relevant macroscopic variables (such as temperature, excitation energy, and breakup volume) are the same in all statistical ensembles. It also turns out that the multiplicity dependence of the breakup volume in the microcanonical version of the model mimics a system at (approximately) constant pressure, at least in the plateau region of the caloric curve. However, in contrast to average values, our results suggest that the distributions of physical observables are quite sensitive to the statistical assumptions. This finding may help in deciding which hypothesis corresponds to the best picture for the freeze-out stage

  4. Automatic counting and recording unit used for dating by the carbon 14 method; Ensemble de comptage et d'impression automatique utilise pour la datation par la methode du carbone 14

    Energy Technology Data Exchange (ETDEWEB)

    Albertinoli, P; Galliot, J; Thommeret, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires. Centre Scientifique de Monaco, Monte Carlo

    1969-07-01

    A description is given of the unit used by the 'Centre Scientifique de Monaco' for low-level beta counting and fitted for radioactive dating by the Carbon 14 method. Built entirely by the laboratory in 1964, on the basis of electronic techniques then recent, it has worked without failure since that time. The proportional counter, its high-voltage negative supply, and the counting chains with visual and printing records are detailed by means of 38 figures which reproduce the counter and the electronic circuits. These are contained in two standard 5 U.I structures. The low-voltage power supply of the whole unit is carried out by plus 12 volts and minus 12 volts storage batteries, buffered on a charger connected on the 110 V alternative line. The proportional counter described is filled with CO{sub 2} under one atmosphere pressure and permits the dating of carbonaceous samples with a maximum of 30.000 + 1.000 years (background 3.96 c.p.m. ) within a moderate time (72 hours). (authors) [French] L'ensemble de comptage pour radioactivite beta a bas niveau, destine a la datation par la methode du carbone 14, utilise au Centre Scientifique de Monaco, est decrit. Entierement construit au laboratoire en 1964, sur la base de techniques electroniques alors recentes, il fonctionne depuis cette date sans defaillance. Le compteur proportionnel, son alimentation haute tension negative et les chaines de comptage transistorisees a affichage et impression sont detailles par 38 schemas reproduisant le compteur et les divers circuits electroniques. Ceux-ci sont contenus dans deux chassis standard 5 UI. L'alimentation basse tension de l'ensemble est obtenue par batteries plus 12 et moins 12 volts montees en tampon sur chargeur alimente par le reseau. Le compteur proportionnel decrit, rempli de CO2 sous une atmosphere, permet de dater les echantillons carbones avec un maximum de 30.000 + 1.000 ans (bruit de fond: 3,96 c.p.m. ) en un temps raisonnable (72 heures). (auteur)

  5. Association Study between Lead and Zinc Accumulation at Different Physiological Systems of Cattle by Canonical Correlation and Canonical Correspondence Analyses

    Science.gov (United States)

    Karmakar, Partha; Das, Pradip Kumar; Mondal, Seema Sarkar; Karmakar, Sougata; Mazumdar, Debasis

    2010-10-01

    Pb pollution from automobile exhausts around highways is a persistent problem in India. Pb intoxication in mammalian body is a complex phenomenon which is influence by agonistic and antagonistic interactions of several other heavy metals and micronutrients. An attempt has been made to study the association between Pb and Zn accumulation in different physiological systems of cattles (n = 200) by application of both canonical correlation and canonical correspondence analyses. Pb was estimated from plasma, liver, bone, muscle, kidney, blood and milk where as Zn was measured from all these systems except bone, blood and milk. Both statistical techniques demonstrated that there was a strong association among blood-Pb, liver-Zn, kidney-Zn and muscle-Zn. From observations, it can be assumed that Zn accumulation in cattles' muscle, liver and kidney directs Pb mobilization from those organs which in turn increases Pb pool in blood. It indicates antagonistic activity of Zn to the accumulation of Pb. Although there were some contradictions between the observations obtained from the two different statistical methods, the overall pattern of Pb accumulation in various organs as influenced by Zn were same. It is mainly due to the fact that canonical correlation is actually a special type of canonical correspondence analyses where linear relationship is followed between two groups of variables instead of Gaussian relationship.

  6. Association Study between Lead and Zinc Accumulation at Different Physiological Systems of Cattle by Canonical Correlation and Canonical Correspondence Analyses

    International Nuclear Information System (INIS)

    Karmakar, Partha; Das, Pradip Kumar; Mondal, Seema Sarkar; Karmakar, Sougata; Mazumdar, Debasis

    2010-01-01

    Pb pollution from automobile exhausts around highways is a persistent problem in India. Pb intoxication in mammalian body is a complex phenomenon which is influence by agonistic and antagonistic interactions of several other heavy metals and micronutrients. An attempt has been made to study the association between Pb and Zn accumulation in different physiological systems of cattles (n = 200) by application of both canonical correlation and canonical correspondence analyses. Pb was estimated from plasma, liver, bone, muscle, kidney, blood and milk where as Zn was measured from all these systems except bone, blood and milk. Both statistical techniques demonstrated that there was a strong association among blood-Pb, liver-Zn, kidney-Zn and muscle-Zn. From observations, it can be assumed that Zn accumulation in cattles' muscle, liver and kidney directs Pb mobilization from those organs which in turn increases Pb pool in blood. It indicates antagonistic activity of Zn to the accumulation of Pb. Although there were some contradictions between the observations obtained from the two different statistical methods, the overall pattern of Pb accumulation in various organs as influenced by Zn were same. It is mainly due to the fact that canonical correlation is actually a special type of canonical correspondence analyses where linear relationship is followed between two groups of variables instead of Gaussian relationship.

  7. Interpolation of property-values between electron numbers is inconsistent with ensemble averaging

    Energy Technology Data Exchange (ETDEWEB)

    Miranda-Quintana, Ramón Alain [Laboratory of Computational and Theoretical Chemistry, Faculty of Chemistry, University of Havana, Havana (Cuba); Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1 (Canada); Ayers, Paul W. [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1 (Canada)

    2016-06-28

    In this work we explore the physical foundations of models that study the variation of the ground state energy with respect to the number of electrons (E vs. N models), in terms of general grand-canonical (GC) ensemble formulations. In particular, we focus on E vs. N models that interpolate the energy between states with integer number of electrons. We show that if the interpolation of the energy corresponds to a GC ensemble, it is not differentiable. Conversely, if the interpolation is smooth, then it cannot be formulated as any GC ensemble. This proves that interpolation of electronic properties between integer electron numbers is inconsistent with any form of ensemble averaging. This emphasizes the role of derivative discontinuities and the critical role of a subsystem’s surroundings in determining its properties.

  8. Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections.

    Science.gov (United States)

    Sergiievskyi, Volodymyr P; Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

    2014-06-05

    Molecular density functional theory (MDFT) offers an efficient implicit-solvent method to estimate molecule solvation free-energies, whereas conserving a fully molecular representation of the solvent. Even within a second-order approximation for the free-energy functional, the so-called homogeneous reference fluid approximation, we show that the hydration free-energies computed for a data set of 500 organic compounds are of similar quality as those obtained from molecular dynamics free-energy perturbation simulations, with a computer cost reduced by 2-3 orders of magnitude. This requires to introduce the proper partial volume correction to transform the results from the grand canonical to the isobaric-isotherm ensemble that is pertinent to experiments. We show that this correction can be extended to 3D-RISM calculations, giving a sound theoretical justification to empirical partial molar volume corrections that have been proposed recently.

  9. The linear canonical transformation : definition and properties

    NARCIS (Netherlands)

    Bastiaans, Martin J.; Alieva, Tatiana; Healy, J.J.; Kutay, M.A.; Ozaktas, H.M.; Sheridan, J.T.

    2016-01-01

    In this chapter we introduce the class of linear canonical transformations, which includes as particular cases the Fourier transformation (and its generalization: the fractional Fourier transformation), the Fresnel transformation, and magnifier, rotation and shearing operations. The basic properties

  10. 37 CFR 10.21 - Canon 1.

    Science.gov (United States)

    2010-07-01

    ... REPRESENTATION OF OTHERS BEFORE THE PATENT AND TRADEMARK OFFICE Patent and Trademark Office Code of Professional Responsibility § 10.21 Canon 1. A practitioner should assist in maintaining the integrity and competence of the...

  11. Semiotic Analysis of Canon Camera Advertisements

    OpenAIRE

    INDRAWATI, SUSAN

    2015-01-01

    Keywords: Semiotic Analysis, Canon Camera, Advertisement. Advertisement is a medium to deliver message to people with the goal to influence the to use certain products. Semiotics is applied to develop a correlation within element used in an advertisement. In this study, the writer chose the Semiotic analysis of canon camera advertisement as the subject to be analyzed using semiotic study based on Peirce's theory. Semiotic approach is employed in interpreting the sign, symbol, icon, and index ...

  12. Crossover ensembles of random matrices and skew-orthogonal polynomials

    International Nuclear Information System (INIS)

    Kumar, Santosh; Pandey, Akhilesh

    2011-01-01

    Highlights: → We study crossover ensembles of Jacobi family of random matrices. → We consider correlations for orthogonal-unitary and symplectic-unitary crossovers. → We use the method of skew-orthogonal polynomials and quaternion determinants. → We prove universality of spectral correlations in crossover ensembles. → We discuss applications to quantum conductance and communication theory problems. - Abstract: In a recent paper (S. Kumar, A. Pandey, Phys. Rev. E, 79, 2009, p. 026211) we considered Jacobi family (including Laguerre and Gaussian cases) of random matrix ensembles and reported exact solutions of crossover problems involving time-reversal symmetry breaking. In the present paper we give details of the work. We start with Dyson's Brownian motion description of random matrix ensembles and obtain universal hierarchic relations among the unfolded correlation functions. For arbitrary dimensions we derive the joint probability density (jpd) of eigenvalues for all transitions leading to unitary ensembles as equilibrium ensembles. We focus on the orthogonal-unitary and symplectic-unitary crossovers and give generic expressions for jpd of eigenvalues, two-point kernels and n-level correlation functions. This involves generalization of the theory of skew-orthogonal polynomials to crossover ensembles. We also consider crossovers in the circular ensembles to show the generality of our method. In the large dimensionality limit, correlations in spectra with arbitrary initial density are shown to be universal when expressed in terms of a rescaled symmetry breaking parameter. Applications of our crossover results to communication theory and quantum conductance problems are also briefly discussed.

  13. Imprinting and recalling cortical ensembles.

    Science.gov (United States)

    Carrillo-Reid, Luis; Yang, Weijian; Bando, Yuki; Peterka, Darcy S; Yuste, Rafael

    2016-08-12

    Neuronal ensembles are coactive groups of neurons that may represent building blocks of cortical circuits. These ensembles could be formed by Hebbian plasticity, whereby synapses between coactive neurons are strengthened. Here we report that repetitive activation with two-photon optogenetics of neuronal populations from ensembles in the visual cortex of awake mice builds neuronal ensembles that recur spontaneously after being imprinted and do not disrupt preexisting ones. Moreover, imprinted ensembles can be recalled by single- cell stimulation and remain coactive on consecutive days. Our results demonstrate the persistent reconfiguration of cortical circuits by two-photon optogenetics into neuronal ensembles that can perform pattern completion. Copyright © 2016, American Association for the Advancement of Science.

  14. Measurement of the quantum superposition state of an imaging ensemble of photons prepared in orbital angular momentum states using a phase-diversity method

    International Nuclear Information System (INIS)

    Uribe-Patarroyo, Nestor; Alvarez-Herrero, Alberto; Belenguer, Tomas

    2010-01-01

    We propose the use of a phase-diversity technique to estimate the orbital angular momentum (OAM) superposition state of an ensemble of photons that passes through an optical system, proceeding from an extended object. The phase-diversity technique permits the estimation of the optical transfer function (OTF) of an imaging optical system. As the OTF is derived directly from the wave-front characteristics of the observed light, we redefine the phase-diversity technique in terms of a superposition of OAM states. We test this new technique experimentally and find coherent results among different tests, which gives us confidence in the estimation of the photon ensemble state. We find that this technique not only allows us to estimate the square of the amplitude of each OAM state, but also the relative phases among all states, thus providing complete information about the quantum state of the photons. This technique could be used to measure the OAM spectrum of extended objects in astronomy or in an optical communication scheme using OAM states. In this sense, the use of extended images could lead to new techniques in which the communication is further multiplexed along the field.

  15. Multilevel ensemble Kalman filtering

    KAUST Repository

    Hoel, Hakon

    2016-06-14

    This work embeds a multilevel Monte Carlo sampling strategy into the Monte Carlo step of the ensemble Kalman filter (EnKF) in the setting of finite dimensional signal evolution and noisy discrete-time observations. The signal dynamics is assumed to be governed by a stochastic differential equation (SDE), and a hierarchy of time grids is introduced for multilevel numerical integration of that SDE. The resulting multilevel EnKF is proved to asymptotically outperform EnKF in terms of computational cost versus approximation accuracy. The theoretical results are illustrated numerically.

  16. Multilevel ensemble Kalman filtering

    KAUST Repository

    Hoel, Hakon; Law, Kody J. H.; Tempone, Raul

    2016-01-01

    This work embeds a multilevel Monte Carlo sampling strategy into the Monte Carlo step of the ensemble Kalman filter (EnKF) in the setting of finite dimensional signal evolution and noisy discrete-time observations. The signal dynamics is assumed to be governed by a stochastic differential equation (SDE), and a hierarchy of time grids is introduced for multilevel numerical integration of that SDE. The resulting multilevel EnKF is proved to asymptotically outperform EnKF in terms of computational cost versus approximation accuracy. The theoretical results are illustrated numerically.

  17. The dark sector from interacting canonical and non-canonical scalar fields

    International Nuclear Information System (INIS)

    De Souza, Rudinei C; Kremer, Gilberto M

    2010-01-01

    In this work general models with interactions between two canonical scalar fields and between one non-canonical (tachyon type) and one canonical scalar field are investigated. The potentials and couplings to the gravity are selected through the Noether symmetry approach. These general models are employed to describe interactions between dark energy and dark matter, with the fields being constrained by the astronomical data. The cosmological solutions of some cases are compared with the observed evolution of the late Universe.

  18. Both canonical and non-canonical Wnt signaling independently promote stem cell growth in mammospheres.

    Directory of Open Access Journals (Sweden)

    Alexander M Many

    Full Text Available The characterization of mammary stem cells, and signals that regulate their behavior, is of central importance in understanding developmental changes in the mammary gland and possibly for targeting stem-like cells in breast cancer. The canonical Wnt/β-catenin pathway is a signaling mechanism associated with maintenance of self-renewing stem cells in many tissues, including mammary epithelium, and can be oncogenic when deregulated. Wnt1 and Wnt3a are examples of ligands that activate the canonical pathway. Other Wnt ligands, such as Wnt5a, typically signal via non-canonical, β-catenin-independent, pathways that in some cases can antagonize canonical signaling. Since the role of non-canonical Wnt signaling in stem cell regulation is not well characterized, we set out to investigate this using mammosphere formation assays that reflect and quantify stem cell properties. Ex vivo mammosphere cultures were established from both wild-type and Wnt1 transgenic mice and were analyzed in response to manipulation of both canonical and non-canonical Wnt signaling. An increased level of mammosphere formation was observed in cultures derived from MMTV-Wnt1 versus wild-type animals, and this was blocked by treatment with Dkk1, a selective inhibitor of canonical Wnt signaling. Consistent with this, we found that a single dose of recombinant Wnt3a was sufficient to increase mammosphere formation in wild-type cultures. Surprisingly, we found that Wnt5a also increased mammosphere formation in these assays. We confirmed that this was not caused by an increase in canonical Wnt/β-catenin signaling but was instead mediated by non-canonical Wnt signals requiring the receptor tyrosine kinase Ror2 and activity of the Jun N-terminal kinase, JNK. We conclude that both canonical and non-canonical Wnt signals have positive effects promoting stem cell activity in mammosphere assays and that they do so via independent signaling mechanisms.

  19. Ensemble Deep Learning for Biomedical Time Series Classification

    Directory of Open Access Journals (Sweden)

    Lin-peng Jin

    2016-01-01

    Full Text Available Ensemble learning has been proved to improve the generalization ability effectively in both theory and practice. In this paper, we briefly outline the current status of research on it first. Then, a new deep neural network-based ensemble method that integrates filtering views, local views, distorted views, explicit training, implicit training, subview prediction, and Simple Average is proposed for biomedical time series classification. Finally, we validate its effectiveness on the Chinese Cardiovascular Disease Database containing a large number of electrocardiogram recordings. The experimental results show that the proposed method has certain advantages compared to some well-known ensemble methods, such as Bagging and AdaBoost.

  20. Canonical Drude Weight for Non-integrable Quantum Spin Chains

    Science.gov (United States)

    Mastropietro, Vieri; Porta, Marcello

    2018-03-01

    The Drude weight is a central quantity for the transport properties of quantum spin chains. The canonical definition of Drude weight is directly related to Kubo formula of conductivity. However, the difficulty in the evaluation of such expression has led to several alternative formulations, accessible to different methods. In particular, the Euclidean, or imaginary-time, Drude weight can be studied via rigorous renormalization group. As a result, in the past years several universality results have been proven for such quantity at zero temperature; remarkably, the proofs work for both integrable and non-integrable quantum spin chains. Here we establish the equivalence of Euclidean and canonical Drude weights at zero temperature. Our proof is based on rigorous renormalization group methods, Ward identities, and complex analytic ideas.

  1. Sparse canonical correlation analysis for identifying, connecting and completing gene-expression networks

    NARCIS (Netherlands)

    Waaijenborg, S.; Zwinderman, A.H.

    2009-01-01

    ABSTRACT: BACKGROUND: We generalized penalized canonical correlation analysis for analyzing microarray gene-expression measurements for checking completeness of known metabolic pathways and identifying candidate genes for incorporation in the pathway. We used Wold's method for calculation of the

  2. Shallow cumuli ensemble statistics for development of a stochastic parameterization

    Science.gov (United States)

    Sakradzija, Mirjana; Seifert, Axel; Heus, Thijs

    2014-05-01

    According to a conventional deterministic approach to the parameterization of moist convection in numerical atmospheric models, a given large scale forcing produces an unique response from the unresolved convective processes. This representation leaves out the small-scale variability of convection, as it is known from the empirical studies of deep and shallow convective cloud ensembles, there is a whole distribution of sub-grid states corresponding to the given large scale forcing. Moreover, this distribution gets broader with the increasing model resolution. This behavior is also consistent with our theoretical understanding of a coarse-grained nonlinear system. We propose an approach to represent the variability of the unresolved shallow-convective states, including the dependence of the sub-grid states distribution spread and shape on the model horizontal resolution. Starting from the Gibbs canonical ensemble theory, Craig and Cohen (2006) developed a theory for the fluctuations in a deep convective ensemble. The micro-states of a deep convective cloud ensemble are characterized by the cloud-base mass flux, which, according to the theory, is exponentially distributed (Boltzmann distribution). Following their work, we study the shallow cumulus ensemble statistics and the distribution of the cloud-base mass flux. We employ a Large-Eddy Simulation model (LES) and a cloud tracking algorithm, followed by a conditional sampling of clouds at the cloud base level, to retrieve the information about the individual cloud life cycles and the cloud ensemble as a whole. In the case of shallow cumulus cloud ensemble, the distribution of micro-states is a generalized exponential distribution. Based on the empirical and theoretical findings, a stochastic model has been developed to simulate the shallow convective cloud ensemble and to test the convective ensemble theory. Stochastic model simulates a compound random process, with the number of convective elements drawn from a

  3. Characterizing Ensembles of Superconducting Qubits

    Science.gov (United States)

    Sears, Adam; Birenbaum, Jeff; Hover, David; Rosenberg, Danna; Weber, Steven; Yoder, Jonilyn L.; Kerman, Jamie; Gustavsson, Simon; Kamal, Archana; Yan, Fei; Oliver, William

    We investigate ensembles of up to 48 superconducting qubits embedded within a superconducting cavity. Such arrays of qubits have been proposed for the experimental study of Ising Hamiltonians, and efficient methods to characterize and calibrate these types of systems are still under development. Here we leverage high qubit coherence (> 70 μs) to characterize individual devices as well as qubit-qubit interactions, utilizing the common resonator mode for a joint readout. This research was funded by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA) under Air Force Contract No. FA8721-05-C-0002. The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements, either expressed or implied, of ODNI, IARPA, or the US Government.

  4. Canonical quantum theory of gravitational field with higher derivatives, 2

    International Nuclear Information System (INIS)

    Kawasaki, Shoichiro; Kimura, Tadahiko

    1982-01-01

    The asymptotic fields in a canonically quantized graviational field with higher derivatives are analyzed. A possible mechanism of the recovery of the physical S-matrix unitarity is discussed. The constraint nabla sub(μ)(B sup(μν) + (Beta /α)g sup(μν)B) = 0 due to the Bianchi identity on R sub(μν) is treated by Dirac's method. (author)

  5. Modality-Driven Classification and Visualization of Ensemble Variance

    Energy Technology Data Exchange (ETDEWEB)

    Bensema, Kevin; Gosink, Luke; Obermaier, Harald; Joy, Kenneth I.

    2016-10-01

    Advances in computational power now enable domain scientists to address conceptual and parametric uncertainty by running simulations multiple times in order to sufficiently sample the uncertain input space. While this approach helps address conceptual and parametric uncertainties, the ensemble datasets produced by this technique present a special challenge to visualization researchers as the ensemble dataset records a distribution of possible values for each location in the domain. Contemporary visualization approaches that rely solely on summary statistics (e.g., mean and variance) cannot convey the detailed information encoded in ensemble distributions that are paramount to ensemble analysis; summary statistics provide no information about modality classification and modality persistence. To address this problem, we propose a novel technique that classifies high-variance locations based on the modality of the distribution of ensemble predictions. Additionally, we develop a set of confidence metrics to inform the end-user of the quality of fit between the distribution at a given location and its assigned class. We apply a similar method to time-varying ensembles to illustrate the relationship between peak variance and bimodal or multimodal behavior. These classification schemes enable a deeper understanding of the behavior of the ensemble members by distinguishing between distributions that can be described by a single tendency and distributions which reflect divergent trends in the ensemble.

  6. EnsembleGraph: Interactive Visual Analysis of Spatial-Temporal Behavior for Ensemble Simulation Data

    Energy Technology Data Exchange (ETDEWEB)

    Shu, Qingya; Guo, Hanqi; Che, Limei; Yuan, Xiaoru; Liu, Junfeng; Liang, Jie

    2016-04-19

    We present a novel visualization framework—EnsembleGraph— for analyzing ensemble simulation data, in order to help scientists understand behavior similarities between ensemble members over space and time. A graph-based representation is used to visualize individual spatiotemporal regions with similar behaviors, which are extracted by hierarchical clustering algorithms. A user interface with multiple-linked views is provided, which enables users to explore, locate, and compare regions that have similar behaviors between and then users can investigate and analyze the selected regions in detail. The driving application of this paper is the studies on regional emission influences over tropospheric ozone, which is based on ensemble simulations conducted with different anthropogenic emission absences using the MOZART-4 (model of ozone and related tracers, version 4) model. We demonstrate the effectiveness of our method by visualizing the MOZART-4 ensemble simulation data and evaluating the relative regional emission influences on tropospheric ozone concentrations. Positive feedbacks from domain experts and two case studies prove efficiency of our method.

  7. Linear response calculation using the canonical-basis TDHFB with a schematic pairing functional

    International Nuclear Information System (INIS)

    Ebata, Shuichiro; Nakatsukasa, Takashi; Yabana, Kazuhiro

    2011-01-01

    A canonical-basis formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory is obtained with an approximation that the pair potential is assumed to be diagonal in the time-dependent canonical basis. The canonical-basis formulation significantly reduces the computational cost. We apply the method to linear-response calculations for even-even nuclei. E1 strength distributions for proton-rich Mg isotopes are systematically calculated. The calculation suggests strong Landau damping of giant dipole resonance for drip-line nuclei.

  8. An evaluation of canonical forms for non-rigid 3D shape retrieval

    OpenAIRE

    Pickup, David; Liu, Juncheng; Sun, Xianfang; Rosin, Paul L.; Martin, Ralph R.; Cheng, Zhiquan; Lian, Zhouhui; Nie, Sipin; Jin, Longcun; Shamai, Gil; Sahillioğlu, Yusuf; Kavan, Ladislav

    2018-01-01

    Canonical forms attempt to factor out a non-rigid shape’s pose, giving a pose-neutral shape. This opens up the\\ud possibility of using methods originally designed for rigid shape retrieval for the task of non-rigid shape retrieval.\\ud We extend our recent benchmark for testing canonical form algorithms. Our new benchmark is used to evaluate a\\ud greater number of state-of-the-art canonical forms, on five recent non-rigid retrieval datasets, within two different\\ud retrieval frameworks. A tota...

  9. An unconventional canonical quantization of local scalar fields over quantum space-time

    International Nuclear Information System (INIS)

    Banai, M.

    1985-12-01

    An unconventional extension of the canonical quantization method is presented for a classical local field theory. The proposed canonical commutation relations have a solution in the A-valued Hilbert space where A is the algebra of the bounded operators of the Hilbert space Lsup(2) (IRsup(3)). The canonical equations as operator equations are equivalent formally with the classical field equations, and are well defined for interacting systems, too. This model of quantized field lacks some of the difficulties of the conventional approach. Examples satisfying the asymptotic condition provide examples for Haag-Kastler's axioms, however, they satisfy Wightman's axioms only partially. (author)

  10. Kirkwood-Buff Approach Rescues Overcollapse of a Disordered Protein in Canonical Protein Force Fields.

    Science.gov (United States)

    Mercadante, Davide; Milles, Sigrid; Fuertes, Gustavo; Svergun, Dmitri I; Lemke, Edward A; Gräter, Frauke

    2015-06-25

    Understanding the function of intrinsically disordered proteins is intimately related to our capacity to correctly sample their conformational dynamics. So far, a gap between experimentally and computationally derived ensembles exists, as simulations show overcompacted conformers. Increasing evidence suggests that the solvent plays a crucial role in shaping the ensembles of intrinsically disordered proteins and has led to several attempts to modify water parameters and thereby favor protein-water over protein-protein interactions. This study tackles the problem from a different perspective, which is the use of the Kirkwood-Buff theory of solutions to reproduce the correct conformational ensemble of intrinsically disordered proteins (IDPs). A protein force field recently developed on such a basis was found to be highly effective in reproducing ensembles for a fragment from the FG-rich nucleoporin 153, with dimensions matching experimental values obtained from small-angle X-ray scattering and single molecule FRET experiments. Kirkwood-Buff theory presents a complementary and fundamentally different approach to the recently developed four-site TIP4P-D water model, both of which can rescue the overcollapse observed in IDPs with canonical protein force fields. As such, our study provides a new route for tackling the deficiencies of current protein force fields in describing protein solvation.

  11. Diversity in random subspacing ensembles

    NARCIS (Netherlands)

    Tsymbal, A.; Pechenizkiy, M.; Cunningham, P.; Kambayashi, Y.; Mohania, M.K.; Wöß, W.

    2004-01-01

    Ensembles of learnt models constitute one of the main current directions in machine learning and data mining. It was shown experimentally and theoretically that in order for an ensemble to be effective, it should consist of classifiers having diversity in their predictions. A number of ways are

  12. PSO-Ensemble Demo Application

    DEFF Research Database (Denmark)

    2004-01-01

    Within the framework of the PSO-Ensemble project (FU2101) a demo application has been created. The application use ECMWF ensemble forecasts. Two instances of the application are running; one for Nysted Offshore and one for the total production (except Horns Rev) in the Eltra area. The output...

  13. New concept of statistical ensembles

    International Nuclear Information System (INIS)

    Gorenstein, M.I.

    2009-01-01

    An extension of the standard concept of the statistical ensembles is suggested. Namely, the statistical ensembles with extensive quantities fluctuating according to an externally given distribution is introduced. Applications in the statistical models of multiple hadron production in high energy physics are discussed.

  14. Optimization algorithm based on densification and dynamic canonical descent

    Science.gov (United States)

    Bousson, K.; Correia, S. D.

    2006-07-01

    Stochastic methods have gained some popularity in global optimization in that most of them do not assume the cost functions to be differentiable. They have capabilities to avoid being trapped by local optima, and may converge even faster than gradient-based optimization methods on some problems. The present paper proposes an optimization method, which reduces the search space by means of densification curves, coupled with the dynamic canonical descent algorithm. The performances of the new method are shown on several known problems classically used for testing optimization algorithms, and proved to outperform competitive algorithms such as simulated annealing and genetic algorithms.

  15. The Bargmann transform and canonical transformations

    International Nuclear Information System (INIS)

    Villegas-Blas, Carlos

    2002-01-01

    This paper concerns a relationship between the kernel of the Bargmann transform and the corresponding canonical transformation. We study this fact for a Bargmann transform introduced by Thomas and Wassell [J. Math. Phys. 36, 5480-5505 (1995)]--when the configuration space is the two-sphere S 2 and for a Bargmann transform that we introduce for the three-sphere S 3 . It is shown that the kernel of the Bargmann transform is a power series in a function which is a generating function of the corresponding canonical transformation (a classical analog of the Bargmann transform). We show in each case that our canonical transformation is a composition of two other canonical transformations involving the complex null quadric in C 3 or C 4 . We also describe quantizations of those two other canonical transformations by dealing with spaces of holomorphic functions on the aforementioned null quadrics. Some of these quantizations have been studied by Bargmann and Todorov [J. Math. Phys. 18, 1141-1148 (1977)] and the other quantizations are related to the work of Guillemin [Integ. Eq. Operator Theory 7, 145-205 (1984)]. Since suitable infinite linear combinations of powers of the generating functions are coherent states for L 2 (S 2 ) or L 2 (S 3 ), we show finally that the studied Bargmann transforms are actually coherent states transforms

  16. The Hydrologic Ensemble Prediction Experiment (HEPEX)

    Science.gov (United States)

    Wood, Andy; Wetterhall, Fredrik; Ramos, Maria-Helena

    2015-04-01

    The Hydrologic Ensemble Prediction Experiment was established in March, 2004, at a workshop hosted by the European Center for Medium Range Weather Forecasting (ECMWF), and co-sponsored by the US National Weather Service (NWS) and the European Commission (EC). The HEPEX goal was to bring the international hydrological and meteorological communities together to advance the understanding and adoption of hydrological ensemble forecasts for decision support. HEPEX pursues this goal through research efforts and practical implementations involving six core elements of a hydrologic ensemble prediction enterprise: input and pre-processing, ensemble techniques, data assimilation, post-processing, verification, and communication and use in decision making. HEPEX has grown through meetings that connect the user, forecast producer and research communities to exchange ideas, data and methods; the coordination of experiments to address specific challenges; and the formation of testbeds to facilitate shared experimentation. In the last decade, HEPEX has organized over a dozen international workshops, as well as sessions at scientific meetings (including AMS, AGU and EGU) and special issues of scientific journals where workshop results have been published. Through these interactions and an active online blog (www.hepex.org), HEPEX has built a strong and active community of nearly 400 researchers & practitioners around the world. This poster presents an overview of recent and planned HEPEX activities, highlighting case studies that exemplify the focus and objectives of HEPEX.

  17. Ensembl 2002: accommodating comparative genomics.

    Science.gov (United States)

    Clamp, M; Andrews, D; Barker, D; Bevan, P; Cameron, G; Chen, Y; Clark, L; Cox, T; Cuff, J; Curwen, V; Down, T; Durbin, R; Eyras, E; Gilbert, J; Hammond, M; Hubbard, T; Kasprzyk, A; Keefe, D; Lehvaslaiho, H; Iyer, V; Melsopp, C; Mongin, E; Pettett, R; Potter, S; Rust, A; Schmidt, E; Searle, S; Slater, G; Smith, J; Spooner, W; Stabenau, A; Stalker, J; Stupka, E; Ureta-Vidal, A; Vastrik, I; Birney, E

    2003-01-01

    The Ensembl (http://www.ensembl.org/) database project provides a bioinformatics framework to organise biology around the sequences of large genomes. It is a comprehensive source of stable automatic annotation of human, mouse and other genome sequences, available as either an interactive web site or as flat files. Ensembl also integrates manually annotated gene structures from external sources where available. As well as being one of the leading sources of genome annotation, Ensembl is an open source software engineering project to develop a portable system able to handle very large genomes and associated requirements. These range from sequence analysis to data storage and visualisation and installations exist around the world in both companies and at academic sites. With both human and mouse genome sequences available and more vertebrate sequences to follow, many of the recent developments in Ensembl have focusing on developing automatic comparative genome analysis and visualisation.

  18. Reservoir History Matching Using Ensemble Kalman Filters with Anamorphosis Transforms

    KAUST Repository

    Aman, Beshir M.

    2012-01-01

    Some History matching methods such as Kalman filter, particle filter and the ensemble Kalman filter are reviewed and applied to a test case in the reservoir application. The key idea is to apply the transformation before the update step

  19. Generation of scenarios from calibrated ensemble forecasts with a dual ensemble copula coupling approach

    DEFF Research Database (Denmark)

    Ben Bouallègue, Zied; Heppelmann, Tobias; Theis, Susanne E.

    2016-01-01

    the original ensemble forecasts. Based on the assumption of error stationarity, parametric methods aim to fully describe the forecast dependence structures. In this study, the concept of ECC is combined with past data statistics in order to account for the autocorrelation of the forecast error. The new...... approach, called d-ECC, is applied to wind forecasts from the high resolution ensemble system COSMO-DE-EPS run operationally at the German weather service. Scenarios generated by ECC and d-ECC are compared and assessed in the form of time series by means of multivariate verification tools and in a product...

  20. Dictionary-Based Tensor Canonical Polyadic Decomposition

    Science.gov (United States)

    Cohen, Jeremy Emile; Gillis, Nicolas

    2018-04-01

    To ensure interpretability of extracted sources in tensor decomposition, we introduce in this paper a dictionary-based tensor canonical polyadic decomposition which enforces one factor to belong exactly to a known dictionary. A new formulation of sparse coding is proposed which enables high dimensional tensors dictionary-based canonical polyadic decomposition. The benefits of using a dictionary in tensor decomposition models are explored both in terms of parameter identifiability and estimation accuracy. Performances of the proposed algorithms are evaluated on the decomposition of simulated data and the unmixing of hyperspectral images.

  1. Using a High-Resolution Ensemble Modeling Method to Inform Risk-Based Decision-Making at Taylor Park Dam, Colorado

    Science.gov (United States)

    Mueller, M.; Mahoney, K. M.; Holman, K. D.

    2015-12-01

    The Bureau of Reclamation (Reclamation) is responsible for the safety of Taylor Park Dam, located in central Colorado at an elevation of 9300 feet. A key aspect of dam safety is anticipating extreme precipitation, runoff and the associated inflow of water to the reservoir within a probabilistic framework for risk analyses. The Cooperative Institute for Research in Environmental Sciences (CIRES) has partnered with Reclamation to improve understanding and estimation of precipitation in the western United States, including the Taylor Park watershed. A significant challenge is that Taylor Park Dam is located in a relatively data-sparse region, surrounded by mountains exceeding 12,000 feet. To better estimate heavy precipitation events in this basin, a high-resolution modeling approach is used. The Weather Research and Forecasting (WRF) model is employed to simulate events that have produced observed peaks in streamflow at the location of interest. Importantly, an ensemble of model simulations are run on each event so that uncertainty bounds (i.e., forecast error) may be provided such that the model outputs may be more effectively used in Reclamation's risk assessment framework. Model estimates of precipitation (and the uncertainty thereof) are then used in rainfall runoff models to determine the probability of inflows to the reservoir for use in Reclamation's dam safety risk analyses.

  2. A Canonical Theory of Dynamic Decision-Making

    Science.gov (United States)

    Fox, John; Cooper, Richard P.; Glasspool, David W.

    2012-01-01

    Decision-making behavior is studied in many very different fields, from medicine and economics to psychology and neuroscience, with major contributions from mathematics and statistics, computer science, AI, and other technical disciplines. However the conceptualization of what decision-making is and methods for studying it vary greatly and this has resulted in fragmentation of the field. A theory that can accommodate various perspectives may facilitate interdisciplinary working. We present such a theory in which decision-making is articulated as a set of canonical functions that are sufficiently general to accommodate diverse viewpoints, yet sufficiently precise that they can be instantiated in different ways for specific theoretical or practical purposes. The canons cover the whole decision cycle, from the framing of a decision based on the goals, beliefs, and background knowledge of the decision-maker to the formulation of decision options, establishing preferences over them, and making commitments. Commitments can lead to the initiation of new decisions and any step in the cycle can incorporate reasoning about previous decisions and the rationales for them, and lead to revising or abandoning existing commitments. The theory situates decision-making with respect to other high-level cognitive capabilities like problem solving, planning, and collaborative decision-making. The canonical approach is assessed in three domains: cognitive and neuropsychology, artificial intelligence, and decision engineering. PMID:23565100

  3. A canonical theory of dynamic decision-making

    Directory of Open Access Journals (Sweden)

    John eFox

    2013-04-01

    Full Text Available Decision-making behaviour is studied in many very different fields, from medicine and economics to psychology and neuroscience, with major contributions from mathematics and statistics, computer science, AI and other technical disciplines. However the conceptualisation of what decision-making is and methods for studying it vary greatly and this has resulted in fragmentation of the field. A theory that can accommodate various perspectives may facilitate interdisciplinary working. We present such a theory in which decision-making is articulated as a set of canonical functions that are sufficiently general to accommodate diverse viewpoints, yet sufficiently precise that they can be instantiated in different ways for specific theoretical or practical purposes. The canons cover the whole decision cycle, from the framing of a decision based on the goals, beliefs, and background knowledge of the decision maker to the formulation of decision options, establishing preferences over them, and making commitments. Commitments can lead to the initiation of new decisions and any step in the cycle can incorporate reasoning about previous decisions and the rationales for them, and lead to revising or abandoning existing commitments. The theory situates decision making with respect to other high-level cognitive capabilities like problem-solving, planning and collaborative decision-making. The canonical approach is assessed in three domains: cognitive and neuro-psychology, artificial intelligence, and decision engineering.

  4. Ensemble-based forecasting at Horns Rev: Ensemble conversion and kernel dressing

    DEFF Research Database (Denmark)

    Pinson, Pierre; Madsen, Henrik

    . The obtained ensemble forecasts of wind power are then converted into predictive distributions with an original adaptive kernel dressing method. The shape of the kernels is driven by a mean-variance model, the parameters of which are recursively estimated in order to maximize the overall skill of obtained...

  5. Ensemble-free configurational temperature for spin systems

    Science.gov (United States)

    Palma, G.; Gutiérrez, G.; Davis, S.

    2016-12-01

    An estimator for the dynamical temperature in an arbitrary ensemble is derived in the framework of the conjugate variables theorem. We prove directly that its average indeed gives the inverse temperature and that it is independent of the ensemble. We test this estimator numerically by a simulation of the two-dimensional X Y model in the canonical ensemble. As this model is critical in the whole region of temperatures below the Berezinski-Kosterlitz-Thouless critical temperature TBKT, we use a generalization of Wolff's unicluster algorithm. The numerical results allow us to confirm the robustness of the analytical expression for the microscopic estimator of the temperature. This microscopic estimator has also the advantage that it gives a direct measure of the thermalization process and can be used to compute absolute errors associated with statistical fluctuations. In consequence, this estimator allows for a direct, absolute, and stringent test of the ergodicity of the underlying Markov process, which encodes the algorithm used in a numerical simulation.

  6. Canonical phase diagrams of the 1D Falicov-Kimball model at T = O

    Science.gov (United States)

    Gajek, Z.; Jȩdrzejewski, J.; Lemański, R.

    1996-02-01

    The Falicov-Kimball model of spinless quantum electrons hopping on a 1-dimensional lattice and of immobile classical ions occupying some lattice sites, with only intrasite coupling between those particles, have been studied at zero temperature by means of well-controlled numerical procedures. For selected values of the unique coupling parameter U the restricted phase diagrams (based on all the periodic configurations of localized particles (ions) with period not greater than 16 lattice constants, typically) have been constructed in the grand-canonical ensemble. Then these diagrams have been translated into the canonical ensemble. Compared to the diagrams obtained in other studies our ones contain more details, in particular they give better insight into the way the mixtures of periodic phases are formed. Our study has revealed several families of new characteristic phases like the generalized most homogeneous and the generalized crenel phases, a first example of a structural phase transition and a tendency to build up an additional symmetry - the hole-particle symmetry with respect to the ions (electrons) only, as U decreases.

  7. Online Learning of Commission Avoidant Portfolio Ensembles

    OpenAIRE

    Uziel, Guy; El-Yaniv, Ran

    2016-01-01

    We present a novel online ensemble learning strategy for portfolio selection. The new strategy controls and exploits any set of commission-oblivious portfolio selection algorithms. The strategy handles transaction costs using a novel commission avoidance mechanism. We prove a logarithmic regret bound for our strategy with respect to optimal mixtures of the base algorithms. Numerical examples validate the viability of our method and show significant improvement over the state-of-the-art.

  8. Microcanonical ensemble formulation of lattice gauge theory

    International Nuclear Information System (INIS)

    Callaway, D.J.E.; Rahman, A.

    1982-01-01

    A new formulation of lattice gauge theory without explicit path integrals or sums is obtained by using the microcanonical ensemble of statistical mechanics. Expectation values in the new formalism are calculated by solving a large set of coupled, nonlinear, ordinary differential equations. The average plaquette for compact electrodynamics calculated in this fashion agrees with standard Monte Carlo results. Possible advantages of the microcanonical method in applications to fermionic systems are discussed

  9. Infants' Recognition of Objects Using Canonical Color

    Science.gov (United States)

    Kimura, Atsushi; Wada, Yuji; Yang, Jiale; Otsuka, Yumiko; Dan, Ippeita; Masuda, Tomohiro; Kanazawa, So; Yamaguchi, Masami K.

    2010-01-01

    We explored infants' ability to recognize the canonical colors of daily objects, including two color-specific objects (human face and fruit) and a non-color-specific object (flower), by using a preferential looking technique. A total of 58 infants between 5 and 8 months of age were tested with a stimulus composed of two color pictures of an object…

  10. Conformal constraint in canonical quantum gravity

    NARCIS (Netherlands)

    t Hooft, G.

    2010-01-01

    Perturbative canonical quantum gravity is considered, when coupled to a renormalizable model for matter fields. It is proposed that the functional integral over the dilaton field should be disentangled from the other integrations over the metric fields. This should generate a conformally invariant

  11. Contextuality in canonical systems of random variables

    Science.gov (United States)

    Dzhafarov, Ehtibar N.; Cervantes, Víctor H.; Kujala, Janne V.

    2017-10-01

    Random variables representing measurements, broadly understood to include any responses to any inputs, form a system in which each of them is uniquely identified by its content (that which it measures) and its context (the conditions under which it is recorded). Two random variables are jointly distributed if and only if they share a context. In a canonical representation of a system, all random variables are binary, and every content-sharing pair of random variables has a unique maximal coupling (the joint distribution imposed on them so that they coincide with maximal possible probability). The system is contextual if these maximal couplings are incompatible with the joint distributions of the context-sharing random variables. We propose to represent any system of measurements in a canonical form and to consider the system contextual if and only if its canonical representation is contextual. As an illustration, we establish a criterion for contextuality of the canonical system consisting of all dichotomizations of a single pair of content-sharing categorical random variables. This article is part of the themed issue `Second quantum revolution: foundational questions'.

  12. DNA pattern recognition using canonical correlation algorithm

    Indian Academy of Sciences (India)

    2015-09-28

    Sep 28, 2015 ... were considered as the two views, and statistically significant relationships were established between these two ... Canonical correlation analysis is to find two sets of basis ..... Jing XY, Li S, Lan C, Zhang D, Yang JY and Liu Q 2011 Color ... Yu S, Yu K, Tresp V and Kriegel HP 2006 Multi-output regularized.

  13. Universal canonical entropy for gravitating systems

    Indian Academy of Sciences (India)

    Similar to this is the case of ref. [12] which also uses the saddle point approximation to express the microcanonical entropy in terms of the canonical entropy [12a]. Recalling that there is at least 'circumstantial' evidence that the microcanonical entropy has a 'universal' form [13–15], identical to that obtained in ref. [6] quoted.

  14. Canonical analysis based on mutual information

    DEFF Research Database (Denmark)

    Nielsen, Allan Aasbjerg; Vestergaard, Jacob Schack

    2015-01-01

    combinations with the information theoretical measure mutual information (MI). We term this type of analysis canonical information analysis (CIA). MI allows for the actual joint distribution of the variables involved and not just second order statistics. While CCA is ideal for Gaussian data, CIA facilitates...

  15. On the canonical treatment of Lagrangian constraints

    International Nuclear Information System (INIS)

    Barbashov, B.M.

    2001-01-01

    The canonical treatment of dynamic systems with manifest Lagrangian constraints proposed by Berezin is applied to concrete examples: a special Lagrangian linear in velocities, relativistic particles in proper time gauge, a relativistic string in orthonormal gauge, and the Maxwell field in the Lorentz gauge

  16. Kuidas Canon suureks kasvas / Andres Eilart

    Index Scriptorium Estoniae

    Eilart, Andres

    2004-01-01

    Jaapani kaamerate ja büroomasinate tootja Canon Groupi arengust, tegevusest kolmes regioonis - USA-s, Euroopas ja Aasias ning ettevõtte pikaajalise edu põhjustest - ärifilosoofiast ning ajastatud tootearendusest. Vt. samas: Firma esialgne nimi oli Kwanon; Konkurendid koonduvad

  17. Probing the small distance structure of canonical

    NARCIS (Netherlands)

    t Hooft, G.

    2010-01-01

    In canonical quantum gravity, the formal functional integral includes an integration over the local conformal factor, and we propose to perform the functional integral over this factor before doing any of the other functional integrals. By construction, the resulting effective theory would be

  18. On the canonical treatment of Lagrangian constraints

    International Nuclear Information System (INIS)

    Barbashov, B.M.

    2001-01-01

    The canonical treatment of dynamic systems with manifest Lagrangian constraints proposed by Berezin is applied to concrete examples: a specific Lagrangian linear in velocities, relativistic particles in proper time gauge, a relativistic string in orthonormal gauge, and the Maxwell field in the Lorentz gauge

  19. Ensemble manifold regularization.

    Science.gov (United States)

    Geng, Bo; Tao, Dacheng; Xu, Chao; Yang, Linjun; Hua, Xian-Sheng

    2012-06-01

    We propose an automatic approximation of the intrinsic manifold for general semi-supervised learning (SSL) problems. Unfortunately, it is not trivial to define an optimization function to obtain optimal hyperparameters. Usually, cross validation is applied, but it does not necessarily scale up. Other problems derive from the suboptimality incurred by discrete grid search and the overfitting. Therefore, we develop an ensemble manifold regularization (EMR) framework to approximate the intrinsic manifold by combining several initial guesses. Algorithmically, we designed EMR carefully so it 1) learns both the composite manifold and the semi-supervised learner jointly, 2) is fully automatic for learning the intrinsic manifold hyperparameters implicitly, 3) is conditionally optimal for intrinsic manifold approximation under a mild and reasonable assumption, and 4) is scalable for a large number of candidate manifold hyperparameters, from both time and space perspectives. Furthermore, we prove the convergence property of EMR to the deterministic matrix at rate root-n. Extensive experiments over both synthetic and real data sets demonstrate the effectiveness of the proposed framework.

  20. The influence of canon law on ius commune in its formative period

    Directory of Open Access Journals (Sweden)

    Mehmeti Sami

    2015-12-01

    Full Text Available In the Medieval period, Roman law and canon law formed ius commune or the common European law. The similarity between Roman and canon law was that they used the same methods and the difference was that they relied on different authoritative texts. In their works canonists and civilists combined the ancient Greek achievements in philosophy with the Roman achievements in the field of law. Canonists were the first who carried out research on the distinctions between various legal sources and systematized them according to a hierarchical order. The Medieval civilists sought solutions in canon law for a large number of problems that Justinian’s Codification did not hinge on or did it only superficially. Solutions offered by canon law were accepted not only in the civil law of Continental Europe, but also in the English law.

  1. The canonical quantization of local scalar fields over quantum space-time

    International Nuclear Information System (INIS)

    Banai, M.

    1983-05-01

    Canonical quantization of a classical local field theory (CLFT) consisting of N real scalar fields is formulated in the Hilbert space over the sup(*)-algebra A of linear operators of L 2 (R 3 ). The canonical commutation relations (CCR) have an irreducible solution, unique up to A-unitary equivalence. The canonical equations as operator equations are equivalent to the classical (c) field equations. The interaction picture can be introduced in a well-defined manner. The main adventage of this treatment is that the corresponding S-matrix is free of divergences. The Feynman's graph technique is adaptable in a straightforward manner. This approach is a natural extension of the conventional canonical quantization method of quantum mechanics. (author)

  2. Quantum Ensemble Classification: A Sampling-Based Learning Control Approach.

    Science.gov (United States)

    Chen, Chunlin; Dong, Daoyi; Qi, Bo; Petersen, Ian R; Rabitz, Herschel

    2017-06-01

    Quantum ensemble classification (QEC) has significant applications in discrimination of atoms (or molecules), separation of isotopes, and quantum information extraction. However, quantum mechanics forbids deterministic discrimination among nonorthogonal states. The classification of inhomogeneous quantum ensembles is very challenging, since there exist variations in the parameters characterizing the members within different classes. In this paper, we recast QEC as a supervised quantum learning problem. A systematic classification methodology is presented by using a sampling-based learning control (SLC) approach for quantum discrimination. The classification task is accomplished via simultaneously steering members belonging to different classes to their corresponding target states (e.g., mutually orthogonal states). First, a new discrimination method is proposed for two similar quantum systems. Then, an SLC method is presented for QEC. Numerical results demonstrate the effectiveness of the proposed approach for the binary classification of two-level quantum ensembles and the multiclass classification of multilevel quantum ensembles.

  3. An ensemble classifier to predict track geometry degradation

    International Nuclear Information System (INIS)

    Cárdenas-Gallo, Iván; Sarmiento, Carlos A.; Morales, Gilberto A.; Bolivar, Manuel A.; Akhavan-Tabatabaei, Raha

    2017-01-01

    Railway operations are inherently complex and source of several problems. In particular, track geometry defects are one of the leading causes of train accidents in the United States. This paper presents a solution approach which entails the construction of an ensemble classifier to forecast the degradation of track geometry. Our classifier is constructed by solving the problem from three different perspectives: deterioration, regression and classification. We considered a different model from each perspective and our results show that using an ensemble method improves the predictive performance. - Highlights: • We present an ensemble classifier to forecast the degradation of track geometry. • Our classifier considers three perspectives: deterioration, regression and classification. • We construct and test three models and our results show that using an ensemble method improves the predictive performance.

  4. Sequential ensemble-based optimal design for parameter estimation: SEQUENTIAL ENSEMBLE-BASED OPTIMAL DESIGN

    Energy Technology Data Exchange (ETDEWEB)

    Man, Jun [Zhejiang Provincial Key Laboratory of Agricultural Resources and Environment, Institute of Soil and Water Resources and Environmental Science, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou China; Zhang, Jiangjiang [Zhejiang Provincial Key Laboratory of Agricultural Resources and Environment, Institute of Soil and Water Resources and Environmental Science, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou China; Li, Weixuan [Pacific Northwest National Laboratory, Richland Washington USA; Zeng, Lingzao [Zhejiang Provincial Key Laboratory of Agricultural Resources and Environment, Institute of Soil and Water Resources and Environmental Science, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou China; Wu, Laosheng [Department of Environmental Sciences, University of California, Riverside California USA

    2016-10-01

    The ensemble Kalman filter (EnKF) has been widely used in parameter estimation for hydrological models. The focus of most previous studies was to develop more efficient analysis (estimation) algorithms. On the other hand, it is intuitively understandable that a well-designed sampling (data-collection) strategy should provide more informative measurements and subsequently improve the parameter estimation. In this work, a Sequential Ensemble-based Optimal Design (SEOD) method, coupled with EnKF, information theory and sequential optimal design, is proposed to improve the performance of parameter estimation. Based on the first-order and second-order statistics, different information metrics including the Shannon entropy difference (SD), degrees of freedom for signal (DFS) and relative entropy (RE) are used to design the optimal sampling strategy, respectively. The effectiveness of the proposed method is illustrated by synthetic one-dimensional and two-dimensional unsaturated flow case studies. It is shown that the designed sampling strategies can provide more accurate parameter estimation and state prediction compared with conventional sampling strategies. Optimal sampling designs based on various information metrics perform similarly in our cases. The effect of ensemble size on the optimal design is also investigated. Overall, larger ensemble size improves the parameter estimation and convergence of optimal sampling strategy. Although the proposed method is applied to unsaturated flow problems in this study, it can be equally applied in any other hydrological problems.

  5. New technique for ensemble dressing combining Multimodel SuperEnsemble and precipitation PDF

    Science.gov (United States)

    Cane, D.; Milelli, M.

    2009-09-01

    The Multimodel SuperEnsemble technique (Krishnamurti et al., Science 285, 1548-1550, 1999) is a postprocessing method for the estimation of weather forecast parameters reducing direct model output errors. It differs from other ensemble analysis techniques by the use of an adequate weighting of the input forecast models to obtain a combined estimation of meteorological parameters. Weights are calculated by least-square minimization of the difference between the model and the observed field during a so-called training period. Although it can be applied successfully on the continuous parameters like temperature, humidity, wind speed and mean sea level pressure (Cane and Milelli, Meteorologische Zeitschrift, 15, 2, 2006), the Multimodel SuperEnsemble gives good results also when applied on the precipitation, a parameter quite difficult to handle with standard post-processing methods. Here we present our methodology for the Multimodel precipitation forecasts applied on a wide spectrum of results over Piemonte very dense non-GTS weather station network. We will focus particularly on an accurate statistical method for bias correction and on the ensemble dressing in agreement with the observed precipitation forecast-conditioned PDF. Acknowledgement: this work is supported by the Italian Civil Defence Department.

  6. Evaluating a Local Ensemble Transform Kalman Filter snow cover data assimilation method to estimate SWE within a high-resolution hydrologic modeling framework across Western US mountainous regions

    Science.gov (United States)

    Oaida, C. M.; Andreadis, K.; Reager, J. T., II; Famiglietti, J. S.; Levoe, S.

    2017-12-01

    Accurately estimating how much snow water equivalent (SWE) is stored in mountainous regions characterized by complex terrain and snowmelt-driven hydrologic cycles is not only greatly desirable, but also a big challenge. Mountain snowpack exhibits high spatial variability across a broad range of spatial and temporal scales due to a multitude of physical and climatic factors, making it difficult to observe or estimate in its entirety. Combing remotely sensed data and high resolution hydrologic modeling through data assimilation (DA) has the potential to provide a spatially and temporally continuous SWE dataset at horizontal scales that capture sub-grid snow spatial variability and are also relevant to stakeholders such as water resource managers. Here, we present the evaluation of a new snow DA approach that uses a Local Ensemble Transform Kalman Filter (LETKF) in tandem with the Variable Infiltration Capacity macro-scale hydrologic model across the Western United States, at a daily temporal resolution, and a horizontal resolution of 1.75 km x 1.75 km. The LETKF is chosen for its relative simplicity, ease of implementation, and computational efficiency and scalability. The modeling/DA system assimilates daily MODIS Snow Covered Area and Grain Size (MODSCAG) fractional snow cover over, and has been developed to efficiently calculate SWE estimates over extended periods of time and covering large regional-scale areas at relatively high spatial resolution, ultimately producing a snow reanalysis-type dataset. Here we focus on the assessment of SWE produced by the DA scheme over several basins in California's Sierra Nevada Mountain range where Airborne Snow Observatory data is available, during the last five water years (2013-2017), which include both one of the driest and one of the wettest years. Comparison against such a spatially distributed SWE observational product provides a greater understanding of the model's ability to estimate SWE and SWE spatial variability

  7. The Literary Canon in the Age of New Media

    DEFF Research Database (Denmark)

    Backe, Hans-Joachim

    2015-01-01

    and mediality of the canon. In a development that has largely gone unnoticed outside German speaking countries, new approaches for discussing current and future processes of canonization have been developed in recent years. One pivotal element of this process has been a thorough re-evaluation new media......The article offers a comparative overview of the diverging courses of the canon debate in Anglophone and Germanophone contexts. While the Anglophone canon debate has focused on the politics of canon composition, the Germanophone canon debate has been more concerned with the malleability...

  8. Canonical harmonic tracking of charged particles in circular accelerators

    International Nuclear Information System (INIS)

    Kvardakov, V.; Levichev, E.

    2006-01-01

    Harmonic tracking is a method used to study non-linear particle dynamics in a circular accelerator. The tracking algorithm is based on numerical solution of the Hamilton equations of motion. An essential feature of the method is the approximation of Hamiltonian perturbation terms by a finite number of azimuthal harmonics, which provides an effective tool for optimization of non-linear particle motion. The equations of motion are solved canonically, with the first-order prediction made using the explicit Lie transformation. The major features of harmonic tracking are presented and examples of its application are discussed

  9. Canonical harmonic tracking of charged particles in circular accelerators

    Science.gov (United States)

    Kvardakov, V.; Levichev, E.

    2006-03-01

    Harmonic tracking is a method used to study non-linear particle dynamics in a circular accelerator. The tracking algorithm is based on numerical solution of the Hamilton equations of motion. An essential feature of the method is the approximation of Hamiltonian perturbation terms by a finite number of azimuthal harmonics, which provides an effective tool for optimization of non-linear particle motion. The equations of motion are solved canonically, with the first-order prediction made using the explicit Lie transformation. The major features of harmonic tracking are presented and examples of its application are discussed.

  10. Impact of ensemble learning in the assessment of skeletal maturity.

    Science.gov (United States)

    Cunha, Pedro; Moura, Daniel C; Guevara López, Miguel Angel; Guerra, Conceição; Pinto, Daniela; Ramos, Isabel

    2014-09-01

    The assessment of the bone age, or skeletal maturity, is an important task in pediatrics that measures the degree of maturation of children's bones. Nowadays, there is no standard clinical procedure for assessing bone age and the most widely used approaches are the Greulich and Pyle and the Tanner and Whitehouse methods. Computer methods have been proposed to automatize the process; however, there is a lack of exploration about how to combine the features of the different parts of the hand, and how to take advantage of ensemble techniques for this purpose. This paper presents a study where the use of ensemble techniques for improving bone age assessment is evaluated. A new computer method was developed that extracts descriptors for each joint of each finger, which are then combined using different ensemble schemes for obtaining a final bone age value. Three popular ensemble schemes are explored in this study: bagging, stacking and voting. Best results were achieved by bagging with a rule-based regression (M5P), scoring a mean absolute error of 10.16 months. Results show that ensemble techniques improve the prediction performance of most of the evaluated regression algorithms, always achieving best or comparable to best results. Therefore, the success of the ensemble methods allow us to conclude that their use may improve computer-based bone age assessment, offering a scalable option for utilizing multiple regions of interest and combining their output.

  11. Concrete ensemble Kalman filters with rigorous catastrophic filter divergence.

    Science.gov (United States)

    Kelly, David; Majda, Andrew J; Tong, Xin T

    2015-08-25

    The ensemble Kalman filter and ensemble square root filters are data assimilation methods used to combine high-dimensional, nonlinear dynamical models with observed data. Ensemble methods are indispensable tools in science and engineering and have enjoyed great success in geophysical sciences, because they allow for computationally cheap low-ensemble-state approximation for extremely high-dimensional turbulent forecast models. From a theoretical perspective, the dynamical properties of these methods are poorly understood. One of the central mysteries is the numerical phenomenon known as catastrophic filter divergence, whereby ensemble-state estimates explode to machine infinity, despite the true state remaining in a bounded region. In this article we provide a breakthrough insight into the phenomenon, by introducing a simple and natural forecast model that transparently exhibits catastrophic filter divergence under all ensemble methods and a large set of initializations. For this model, catastrophic filter divergence is not an artifact of numerical instability, but rather a true dynamical property of the filter. The divergence is not only validated numerically but also proven rigorously. The model cleanly illustrates mechanisms that give rise to catastrophic divergence and confirms intuitive accounts of the phenomena given in past literature.

  12. The Ensembl genome database project.

    Science.gov (United States)

    Hubbard, T; Barker, D; Birney, E; Cameron, G; Chen, Y; Clark, L; Cox, T; Cuff, J; Curwen, V; Down, T; Durbin, R; Eyras, E; Gilbert, J; Hammond, M; Huminiecki, L; Kasprzyk, A; Lehvaslaiho, H; Lijnzaad, P; Melsopp, C; Mongin, E; Pettett, R; Pocock, M; Potter, S; Rust, A; Schmidt, E; Searle, S; Slater, G; Smith, J; Spooner, W; Stabenau, A; Stalker, J; Stupka, E; Ureta-Vidal, A; Vastrik, I; Clamp, M

    2002-01-01

    The Ensembl (http://www.ensembl.org/) database project provides a bioinformatics framework to organise biology around the sequences of large genomes. It is a comprehensive source of stable automatic annotation of the human genome sequence, with confirmed gene predictions that have been integrated with external data sources, and is available as either an interactive web site or as flat files. It is also an open source software engineering project to develop a portable system able to handle very large genomes and associated requirements from sequence analysis to data storage and visualisation. The Ensembl site is one of the leading sources of human genome sequence annotation and provided much of the analysis for publication by the international human genome project of the draft genome. The Ensembl system is being installed around the world in both companies and academic sites on machines ranging from supercomputers to laptops.

  13. The Use of Artificial-Intelligence-Based Ensembles for Intrusion Detection: A Review

    Directory of Open Access Journals (Sweden)

    Gulshan Kumar

    2012-01-01

    Full Text Available In supervised learning-based classification, ensembles have been successfully employed to different application domains. In the literature, many researchers have proposed different ensembles by considering different combination methods, training datasets, base classifiers, and many other factors. Artificial-intelligence-(AI- based techniques play prominent role in development of ensemble for intrusion detection (ID and have many benefits over other techniques. However, there is no comprehensive review of ensembles in general and AI-based ensembles for ID to examine and understand their current research status to solve the ID problem. Here, an updated review of ensembles and their taxonomies has been presented in general. The paper also presents the updated review of various AI-based ensembles for ID (in particular during last decade. The related studies of AI-based ensembles are compared by set of evaluation metrics driven from (1 architecture & approach followed; (2 different methods utilized in different phases of ensemble learning; (3 other measures used to evaluate classification performance of the ensembles. The paper also provides the future directions of the research in this area. The paper will help the better understanding of different directions in which research of ensembles has been done in general and specifically: field of intrusion detection systems (IDSs.

  14. Selecting a climate model subset to optimise key ensemble properties

    Directory of Open Access Journals (Sweden)

    N. Herger

    2018-02-01

    Full Text Available End users studying impacts and risks caused by human-induced climate change are often presented with large multi-model ensembles of climate projections whose composition and size are arbitrarily determined. An efficient and versatile method that finds a subset which maintains certain key properties from the full ensemble is needed, but very little work has been done in this area. Therefore, users typically make their own somewhat subjective subset choices and commonly use the equally weighted model mean as a best estimate. However, different climate model simulations cannot necessarily be regarded as independent estimates due to the presence of duplicated code and shared development history. Here, we present an efficient and flexible tool that makes better use of the ensemble as a whole by finding a subset with improved mean performance compared to the multi-model mean while at the same time maintaining the spread and addressing the problem of model interdependence. Out-of-sample skill and reliability are demonstrated using model-as-truth experiments. This approach is illustrated with one set of optimisation criteria but we also highlight the flexibility of cost functions, depending on the focus of different users. The technique is useful for a range of applications that, for example, minimise present-day bias to obtain an accurate ensemble mean, reduce dependence in ensemble spread, maximise future spread, ensure good performance of individual models in an ensemble, reduce the ensemble size while maintaining important ensemble characteristics, or optimise several of these at the same time. As in any calibration exercise, the final ensemble is sensitive to the metric, observational product, and pre-processing steps used.

  15. Selecting a climate model subset to optimise key ensemble properties

    Science.gov (United States)

    Herger, Nadja; Abramowitz, Gab; Knutti, Reto; Angélil, Oliver; Lehmann, Karsten; Sanderson, Benjamin M.

    2018-02-01

    End users studying impacts and risks caused by human-induced climate change are often presented with large multi-model ensembles of climate projections whose composition and size are arbitrarily determined. An efficient and versatile method that finds a subset which maintains certain key properties from the full ensemble is needed, but very little work has been done in this area. Therefore, users typically make their own somewhat subjective subset choices and commonly use the equally weighted model mean as a best estimate. However, different climate model simulations cannot necessarily be regarded as independent estimates due to the presence of duplicated code and shared development history. Here, we present an efficient and flexible tool that makes better use of the ensemble as a whole by finding a subset with improved mean performance compared to the multi-model mean while at the same time maintaining the spread and addressing the problem of model interdependence. Out-of-sample skill and reliability are demonstrated using model-as-truth experiments. This approach is illustrated with one set of optimisation criteria but we also highlight the flexibility of cost functions, depending on the focus of different users. The technique is useful for a range of applications that, for example, minimise present-day bias to obtain an accurate ensemble mean, reduce dependence in ensemble spread, maximise future spread, ensure good performance of individual models in an ensemble, reduce the ensemble size while maintaining important ensemble characteristics, or optimise several of these at the same time. As in any calibration exercise, the final ensemble is sensitive to the metric, observational product, and pre-processing steps used.

  16. On-line Learning of Unlearnable True Teacher through Mobile Ensemble Teachers

    Science.gov (United States)

    Hirama, Takeshi; Hukushima, Koji

    2008-09-01

    The on-line learning of a hierarchical learning model is studied by a method based on statistical mechanics. In our model, a student of a simple perceptron learns from not a true teacher directly, but ensemble teachers who learn from a true teacher with a perceptron learning rule. Since the true teacher and ensemble teachers are expressed as nonmonotonic and simple perceptrons, respectively, the ensemble teachers go around the unlearnable true teacher with the distance between them fixed in an asymptotic steady state. The generalization performance of the student is shown to exceed that of the ensemble teachers in a transient state, as was shown in similar ensemble-teachers models. Furthermore, it is found that moving the ensemble teachers even in the steady state, in contrast to the fixed ensemble teachers, is efficient for the performance of the student.

  17. Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations

    International Nuclear Information System (INIS)

    Dinpajooh, Mohammadhasan; Bai, Peng; Allan, Douglas A.; Siepmann, J. Ilja

    2015-01-01

    Since the seminal paper by Panagiotopoulos [Mol. Phys. 61, 813 (1997)], the Gibbs ensemble Monte Carlo (GEMC) method has been the most popular particle-based simulation approach for the computation of vapor–liquid phase equilibria. However, the validity of GEMC simulations in the near-critical region has been questioned because rigorous finite-size scaling approaches cannot be applied to simulations with fluctuating volume. Valleau [Mol. Simul. 29, 627 (2003)] has argued that GEMC simulations would lead to a spurious overestimation of the critical temperature. More recently, Patel et al. [J. Chem. Phys. 134, 024101 (2011)] opined that the use of analytical tail corrections would be problematic in the near-critical region. To address these issues, we perform extensive GEMC simulations for Lennard-Jones particles in the near-critical region varying the system size, the overall system density, and the cutoff distance. For a system with N = 5500 particles, potential truncation at 8σ and analytical tail corrections, an extrapolation of GEMC simulation data at temperatures in the range from 1.27 to 1.305 yields T c = 1.3128 ± 0.0016, ρ c = 0.316 ± 0.004, and p c = 0.1274 ± 0.0013 in excellent agreement with the thermodynamic limit determined by Potoff and Panagiotopoulos [J. Chem. Phys. 109, 10914 (1998)] using grand canonical Monte Carlo simulations and finite-size scaling. Critical properties estimated using GEMC simulations with different overall system densities (0.296 ≤ ρ t ≤ 0.336) agree to within the statistical uncertainties. For simulations with tail corrections, data obtained using r cut = 3.5σ yield T c and p c that are higher by 0.2% and 1.4% than simulations with r cut = 5 and 8σ but still with overlapping 95% confidence intervals. In contrast, GEMC simulations with a truncated and shifted potential show that r cut = 8σ is insufficient to obtain accurate results. Additional GEMC simulations for hard-core square-well particles with various

  18. Gridded Calibration of Ensemble Wind Vector Forecasts Using Ensemble Model Output Statistics

    Science.gov (United States)

    Lazarus, S. M.; Holman, B. P.; Splitt, M. E.

    2017-12-01

    A computationally efficient method is developed that performs gridded post processing of ensemble wind vector forecasts. An expansive set of idealized WRF model simulations are generated to provide physically consistent high resolution winds over a coastal domain characterized by an intricate land / water mask. Ensemble model output statistics (EMOS) is used to calibrate the ensemble wind vector forecasts at observation locations. The local EMOS predictive parameters (mean and variance) are then spread throughout the grid utilizing flow-dependent statistical relationships extracted from the downscaled WRF winds. Using data withdrawal and 28 east central Florida stations, the method is applied to one year of 24 h wind forecasts from the Global Ensemble Forecast System (GEFS). Compared to the raw GEFS, the approach improves both the deterministic and probabilistic forecast skill. Analysis of multivariate rank histograms indicate the post processed forecasts are calibrated. Two downscaling case studies are presented, a quiescent easterly flow event and a frontal passage. Strengths and weaknesses of the approach are presented and discussed.

  19. Modeling polydispersive ensembles of diamond nanoparticles

    International Nuclear Information System (INIS)

    Barnard, Amanda S

    2013-01-01

    While significant progress has been made toward production of monodispersed samples of a variety of nanoparticles, in cases such as diamond nanoparticles (nanodiamonds) a significant degree of polydispersivity persists, so scaling-up of laboratory applications to industrial levels has its challenges. In many cases, however, monodispersivity is not essential for reliable application, provided that the inevitable uncertainties are just as predictable as the functional properties. As computational methods of materials design are becoming more widespread, there is a growing need for robust methods for modeling ensembles of nanoparticles, that capture the structural complexity characteristic of real specimens. In this paper we present a simple statistical approach to modeling of ensembles of nanoparticles, and apply it to nanodiamond, based on sets of individual simulations that have been carefully selected to describe specific structural sources that are responsible for scattering of fundamental properties, and that are typically difficult to eliminate experimentally. For the purposes of demonstration we show how scattering in the Fermi energy and the electronic band gap are related to different structural variations (sources), and how these results can be combined strategically to yield statistically significant predictions of the properties of an entire ensemble of nanodiamonds, rather than merely one individual ‘model’ particle or a non-representative sub-set. (paper)

  20. An Ensemble Three-Dimensional Constrained Variational Analysis Method to Derive Large-Scale Forcing Data for Single-Column Models

    Science.gov (United States)

    Tang, Shuaiqi

    Atmospheric vertical velocities and advective tendencies are essential as large-scale forcing data to drive single-column models (SCM), cloud-resolving models (CRM) and large-eddy simulations (LES). They cannot be directly measured or easily calculated with great accuracy from field measurements. In the Atmospheric Radiation Measurement (ARM) program, a constrained variational algorithm (1DCVA) has been used to derive large-scale forcing data over a sounding network domain with the aid of flux measurements at the surface and top of the atmosphere (TOA). We extend the 1DCVA algorithm into three dimensions (3DCVA) along with other improvements to calculate gridded large-scale forcing data. We also introduce an ensemble framework using different background data, error covariance matrices and constraint variables to quantify the uncertainties of the large-scale forcing data. The results of sensitivity study show that the derived forcing data and SCM simulated clouds are more sensitive to the background data than to the error covariance matrices and constraint variables, while horizontal moisture advection has relatively large sensitivities to the precipitation, the dominate constraint variable. Using a mid-latitude cyclone case study in March 3rd, 2000 at the ARM Southern Great Plains (SGP) site, we investigate the spatial distribution of diabatic heating sources (Q1) and moisture sinks (Q2), and show that they are consistent with the satellite clouds and intuitive structure of the mid-latitude cyclone. We also evaluate the Q1 and Q2 in analysis/reanalysis, finding that the regional analysis/reanalysis all tend to underestimate the sub-grid scale upward transport of moist static energy in the lower troposphere. With the uncertainties from large-scale forcing data and observation specified, we compare SCM results and observations and find that models have large biases on cloud properties which could not be fully explained by the uncertainty from the large-scale forcing

  1. Improving Climate Projections Using "Intelligent" Ensembles

    Science.gov (United States)

    Baker, Noel C.; Taylor, Patrick C.

    2015-01-01

    Recent changes in the climate system have led to growing concern, especially in communities which are highly vulnerable to resource shortages and weather extremes. There is an urgent need for better climate information to develop solutions and strategies for adapting to a changing climate. Climate models provide excellent tools for studying the current state of climate and making future projections. However, these models are subject to biases created by structural uncertainties. Performance metrics-or the systematic determination of model biases-succinctly quantify aspects of climate model behavior. Efforts to standardize climate model experiments and collect simulation data-such as the Coupled Model Intercomparison Project (CMIP)-provide the means to directly compare and assess model performance. Performance metrics have been used to show that some models reproduce present-day climate better than others. Simulation data from multiple models are often used to add value to projections by creating a consensus projection from the model ensemble, in which each model is given an equal weight. It has been shown that the ensemble mean generally outperforms any single model. It is possible to use unequal weights to produce ensemble means, in which models are weighted based on performance (called "intelligent" ensembles). Can performance metrics be used to improve climate projections? Previous work introduced a framework for comparing the utility of model performance metrics, showing that the best metrics are related to the variance of top-of-atmosphere outgoing longwave radiation. These metrics improve present-day climate simulations of Earth's energy budget using the "intelligent" ensemble method. The current project identifies several approaches for testing whether performance metrics can be applied to future simulations to create "intelligent" ensemble-mean climate projections. It is shown that certain performance metrics test key climate processes in the models, and

  2. Combining 2-m temperature nowcasting and short range ensemble forecasting

    Directory of Open Access Journals (Sweden)

    A. Kann

    2011-12-01

    Full Text Available During recent years, numerical ensemble prediction systems have become an important tool for estimating the uncertainties of dynamical and physical processes as represented in numerical weather models. The latest generation of limited area ensemble prediction systems (LAM-EPSs allows for probabilistic forecasts at high resolution in both space and time. However, these systems still suffer from systematic deficiencies. Especially for nowcasting (0–6 h applications the ensemble spread is smaller than the actual forecast error. This paper tries to generate probabilistic short range 2-m temperature forecasts by combining a state-of-the-art nowcasting method and a limited area ensemble system, and compares the results with statistical methods. The Integrated Nowcasting Through Comprehensive Analysis (INCA system, which has been in operation at the Central Institute for Meteorology and Geodynamics (ZAMG since 2006 (Haiden et al., 2011, provides short range deterministic forecasts at high temporal (15 min–60 min and spatial (1 km resolution. An INCA Ensemble (INCA-EPS of 2-m temperature forecasts is constructed by applying a dynamical approach, a statistical approach, and a combined dynamic-statistical method. The dynamical method takes uncertainty information (i.e. ensemble variance from the operational limited area ensemble system ALADIN-LAEF (Aire Limitée Adaptation Dynamique Développement InterNational Limited Area Ensemble Forecasting which is running operationally at ZAMG (Wang et al., 2011. The purely statistical method assumes a well-calibrated spread-skill relation and applies ensemble spread according to the skill of the INCA forecast of the most recent past. The combined dynamic-statistical approach adapts the ensemble variance gained from ALADIN-LAEF with non-homogeneous Gaussian regression (NGR which yields a statistical mbox{correction} of the first and second moment (mean bias and dispersion for Gaussian distributed continuous

  3. Fan fiction, early Greece, and the historicity of canon

    Directory of Open Access Journals (Sweden)

    Ahuvia Kahane

    2016-03-01

    Full Text Available The historicity of canon is considered with an emphasis on contemporary fan fiction and early Greek oral epic traditions. The essay explores the idea of canon by highlighting historical variance, exposing wider conceptual isomorphisms, and formulating a revised notion of canonicity. Based on an analysis of canon in early Greece, the discussion moves away from the idea of canon as a set of valued works and toward canon as a practice of containment in response to inherent states of surplus. This view of canon is applied to the practice of fan fiction, reestablishing the idea of canonicity in fluid production environments within a revised, historically specific understanding in early oral traditions on the one hand and in digital cultures and fan fiction on the other. Several examples of early epigraphic Greek texts embedded in oral environments are analyzed and assessed in terms of their implications for an understanding of fan fiction and its modern contexts.

  4. Canonical sound speed profile for the central Bay of Bengal

    Digital Repository Service at National Institute of Oceanography (India)

    Murty, T.V.R.; PrasannaKumar, S.; Somayajulu, Y.K.; Sastry, J.S.; De Figueiredo, R.J.P.

    Following Munk's canonical theory, an algorithm has been presented for computing sound channel parameters in the western and southern Bay of Bengal. The estimated canonical sound speed profile using these parameters has been compared with computed...

  5. Minimal canonical comprehensive Gröbner systems

    OpenAIRE

    Manubens, Montserrat; Montes, Antonio

    2009-01-01

    This is the continuation of Montes' paper "On the canonical discussion of polynomial systems with parameters''. In this paper, we define the Minimal Canonical Comprehensive Gröbner System of a parametric ideal and fix under which hypothesis it exists and is computable. An algorithm to obtain a canonical description of the segments of the Minimal Canonical CGS is given, thus completing the whole MCCGS algorithm (implemented in Maple and Singular). We show its high utility for applications, suc...

  6. Canonical treatment of the rocket with friction linear in the velocity

    International Nuclear Information System (INIS)

    Campos, I; Jimenez, J L; Valle, G del

    2003-01-01

    We show that the problem of the rocket with friction linear in the velocity can be treated by canonical methods. In order to achieve this we must abandon the restriction to natural Lagrangians of the form L = T - V, and use the method of S-equivalent Lagrangians. We also solve the problem with constant gravity. This example may be useful for the teaching of the application of canonical methods to dissipative systems, as well as to the teaching of the use of the method of S-equivalent Lagrangians

  7. An algorithm for calculation of the Jordan canonical form of a matrix

    Science.gov (United States)

    Sridhar, B.; Jordan, D.

    1973-01-01

    Jordan canonical forms are used extensively in the literature on control systems. However, very few methods are available to compute them numerically. Most numerical methods compute a set of basis vectors in terms of which the given matrix is diagonalized when such a change of basis is possible. Here, a simple and efficient method is suggested for computing the Jordan canonical form and the corresponding transformation matrix. The method is based on the definition of a generalized eigenvector, and a natural extension of Gauss elimination techniques.

  8. SVM and SVM Ensembles in Breast Cancer Prediction.

    Science.gov (United States)

    Huang, Min-Wei; Chen, Chih-Wen; Lin, Wei-Chao; Ke, Shih-Wen; Tsai, Chih-Fong

    2017-01-01

    Breast cancer is an all too common disease in women, making how to effectively predict it an active research problem. A number of statistical and machine learning techniques have been employed to develop various breast cancer prediction models. Among them, support vector machines (SVM) have been shown to outperform many related techniques. To construct the SVM classifier, it is first necessary to decide the kernel function, and different kernel functions can result in different prediction performance. However, there have been very few studies focused on examining the prediction performances of SVM based on different kernel functions. Moreover, it is unknown whether SVM classifier ensembles which have been proposed to improve the performance of single classifiers can outperform single SVM classifiers in terms of breast cancer prediction. Therefore, the aim of this paper is to fully assess the prediction performance of SVM and SVM ensembles over small and large scale breast cancer datasets. The classification accuracy, ROC, F-measure, and computational times of training SVM and SVM ensembles are compared. The experimental results show that linear kernel based SVM ensembles based on the bagging method and RBF kernel based SVM ensembles with the boosting method can be the better choices for a small scale dataset, where feature selection should be performed in the data pre-processing stage. For a large scale dataset, RBF kernel based SVM ensembles based on boosting perform better than the other classifiers.

  9. SVM and SVM Ensembles in Breast Cancer Prediction.

    Directory of Open Access Journals (Sweden)

    Min-Wei Huang

    Full Text Available Breast cancer is an all too common disease in women, making how to effectively predict it an active research problem. A number of statistical and machine learning techniques have been employed to develop various breast cancer prediction models. Among them, support vector machines (SVM have been shown to outperform many related techniques. To construct the SVM classifier, it is first necessary to decide the kernel function, and different kernel functions can result in different prediction performance. However, there have been very few studies focused on examining the prediction performances of SVM based on different kernel functions. Moreover, it is unknown whether SVM classifier ensembles which have been proposed to improve the performance of single classifiers can outperform single SVM classifiers in terms of breast cancer prediction. Therefore, the aim of this paper is to fully assess the prediction performance of SVM and SVM ensembles over small and large scale breast cancer datasets. The classification accuracy, ROC, F-measure, and computational times of training SVM and SVM ensembles are compared. The experimental results show that linear kernel based SVM ensembles based on the bagging method and RBF kernel based SVM ensembles with the boosting method can be the better choices for a small scale dataset, where feature selection should be performed in the data pre-processing stage. For a large scale dataset, RBF kernel based SVM ensembles based on boosting perform better than the other classifiers.

  10. Spatio-chromatic adaptation via higher-order canonical correlation analysis of natural images.

    Science.gov (United States)

    Gutmann, Michael U; Laparra, Valero; Hyvärinen, Aapo; Malo, Jesús

    2014-01-01

    Independent component and canonical correlation analysis are two general-purpose statistical methods with wide applicability. In neuroscience, independent component analysis of chromatic natural images explains the spatio-chromatic structure of primary cortical receptive fields in terms of properties of the visual environment. Canonical correlation analysis explains similarly chromatic adaptation to different illuminations. But, as we show in this paper, neither of the two methods generalizes well to explain both spatio-chromatic processing and adaptation at the same time. We propose a statistical method which combines the desirable properties of independent component and canonical correlation analysis: It finds independent components in each data set which, across the two data sets, are related to each other via linear or higher-order correlations. The new method is as widely applicable as canonical correlation analysis, and also to more than two data sets. We call it higher-order canonical correlation analysis. When applied to chromatic natural images, we found that it provides a single (unified) statistical framework which accounts for both spatio-chromatic processing and adaptation. Filters with spatio-chromatic tuning properties as in the primary visual cortex emerged and corresponding-colors psychophysics was reproduced reasonably well. We used the new method to make a theory-driven testable prediction on how the neural response to colored patterns should change when the illumination changes. We predict shifts in the responses which are comparable to the shifts reported for chromatic contrast habituation.

  11. On two mathematical problems of canonical quantization. 1

    International Nuclear Information System (INIS)

    Kirillov, A.I.

    1991-01-01

    Problems of choice a representation of the canonical commutation relations (CCR) and determining of Hamiltonian are investigated. It is shown that the Hamiltonians studied by H. Araki are the Dirichlet operators. The almost inverse theorem is also proved. Dirichlet operators are completely determined by measures. The same measures specify also representations of CCR and ground states. A notion of generalized density of these measures is introduced. Calculation methods of the densities and its corresponding measures, i.e. in the end, of representations of CCR and Hamiltonians interrelated in the meaning of L.Van Hove, are suggested

  12. DNA pattern recognition using canonical correlation algorithm.

    Science.gov (United States)

    Sarkar, B K; Chakraborty, Chiranjib

    2015-10-01

    We performed canonical correlation analysis as an unsupervised statistical tool to describe related views of the same semantic object for identifying patterns. A pattern recognition technique based on canonical correlation analysis (CCA) was proposed for finding required genetic code in the DNA sequence. Two related but different objects were considered: one was a particular pattern, and other was test DNA sequence. CCA found correlations between two observations of the same semantic pattern and test sequence. It is concluded that the relationship possesses maximum value in the position where the pattern exists. As a case study, the potential of CCA was demonstrated on the sequence found from HIV-1 preferred integration sites. The subsequences on the left and right flanking from the integration site were considered as the two views, and statistically significant relationships were established between these two views to elucidate the viral preference as an important factor for the correlation.

  13. Normalization as a canonical neural computation

    Science.gov (United States)

    Carandini, Matteo; Heeger, David J.

    2012-01-01

    There is increasing evidence that the brain relies on a set of canonical neural computations, repeating them across brain regions and modalities to apply similar operations to different problems. A promising candidate for such a computation is normalization, in which the responses of neurons are divided by a common factor that typically includes the summed activity of a pool of neurons. Normalization was developed to explain responses in the primary visual cortex and is now thought to operate throughout the visual system, and in many other sensory modalities and brain regions. Normalization may underlie operations such as the representation of odours, the modulatory effects of visual attention, the encoding of value and the integration of multisensory information. Its presence in such a diversity of neural systems in multiple species, from invertebrates to mammals, suggests that it serves as a canonical neural computation. PMID:22108672

  14. Spanish Literature and Spectrality : Notes on a Haunted Canon

    NARCIS (Netherlands)

    Valdivia, Pablo

    In Spanish Literature, Crisis and Spectrality: Notes on a Haunted Canon, Prof. Dr. Pablo Valdivia analyses the contradictions and complexities of the Spanish traditional canon from a transnational approach. Valdivia explores this particular canon as a 'haunted house' by focusing on the specific

  15. Canonical ward identities in generalized QCD

    International Nuclear Information System (INIS)

    Li Ziping

    1995-01-01

    The canonical Ward identities for a system with singular higher-order Lagrangian are derived and some application to the generalized QCD are given. The new relations of the Ward identities for gauge ghost field proper vertices are obtained which differ from the usual Ward-Takahashi identities arising from BRS invariance. The expressions for PCAC and generalized PCAC of AVV vertices are also obtained

  16. Canonizing certain Borel equivalences for Silver forcing

    Czech Academy of Sciences Publication Activity Database

    Doucha, Michal

    2012-01-01

    Roč. 159, č. 13 (2012), s. 2973-2979 ISSN 0166-8641. [Prague Symposium on General Topology and its Relations to Modern Analysis and Algebra /11./. Prague, 07.08.2011-12.08.2011] Institutional research plan: CEZ:AV0Z10190503 Keywords : Borel equivalence relations * silver ideal * canonical Ramsey theorem Subject RIV: BA - General Mathematics Impact factor: 0.562, year: 2012 http://www.sciencedirect.com/science/article/pii/S0166864112002180#

  17. Are Young Children's Drawings Canonically Biased?

    Science.gov (United States)

    Picard, Delphine; Durand, Karine

    2005-01-01

    In a between-subjects design, 4-to 6-year-olds were asked to draw from three-dimensional (3D) models, two-and-a-half-dimensional (212D) models with or without depth cues, or two-dimensional (2D) models of a familiar object (a saucepan) in noncanonical orientations (handle at the back or at the front). Results showed that canonical errors were…

  18. Il canone linguistico boccacciano, non senza dissenso

    Directory of Open Access Journals (Sweden)

    Cecilia Casini

    2015-06-01

    Full Text Available Author of prose’s greatest masterpiece of medieval literature in the vernacular, Giovanni Boccaccio was crucial to defining the Italian language canon, especially since Pietro Bembo proposed its coding in the sixteenth century. Not without controversy, however, since shortly after the publication of Prose Della Volgar Language, Bembo presents the first contrasting theories that support the linguistic model presented by Machiavelli

  19. Generalized operator canonical formalism and gauge invariance

    International Nuclear Information System (INIS)

    Fradkina, T.E.

    1988-01-01

    A direct proof is given in the functional representation of the invariance of the S-matrix constructed in the framework of the generalized operator canonical formalism. We find the traditional functional expression for the S-matrix (without point-splitting in the time factor) in the generalized phase space, as well as in the ghost configuration space. An explicit expression is obtained for the effective unitarizing Hamiltonian for gauge theories with constraints of arbitrary rank

  20. Microcanonical ensemble extensive thermodynamics of Tsallis statistics

    International Nuclear Information System (INIS)

    Parvan, A.S.

    2005-01-01

    The microscopic foundation of the generalized equilibrium statistical mechanics based on the Tsallis entropy is given by using the Gibbs idea of statistical ensembles of the classical and quantum mechanics.The equilibrium distribution functions are derived by the thermodynamic method based upon the use of the fundamental equation of thermodynamics and the statistical definition of the functions of the state of the system. It is shown that if the entropic index ξ = 1/q - 1 in the microcanonical ensemble is an extensive variable of the state of the system, then in the thermodynamic limit z bar = 1/(q - 1)N = const the principle of additivity and the zero law of thermodynamics are satisfied. In particular, the Tsallis entropy of the system is extensive and the temperature is intensive. Thus, the Tsallis statistics completely satisfies all the postulates of the equilibrium thermodynamics. Moreover, evaluation of the thermodynamic identities in the microcanonical ensemble is provided by the Euler theorem. The principle of additivity and the Euler theorem are explicitly proved by using the illustration of the classical microcanonical ideal gas in the thermodynamic limit

  1. Decimated Input Ensembles for Improved Generalization

    Science.gov (United States)

    Tumer, Kagan; Oza, Nikunj C.; Norvig, Peter (Technical Monitor)

    1999-01-01

    Recently, many researchers have demonstrated that using classifier ensembles (e.g., averaging the outputs of multiple classifiers before reaching a classification decision) leads to improved performance for many difficult generalization problems. However, in many domains there are serious impediments to such "turnkey" classification accuracy improvements. Most notable among these is the deleterious effect of highly correlated classifiers on the ensemble performance. One particular solution to this problem is generating "new" training sets by sampling the original one. However, with finite number of patterns, this causes a reduction in the training patterns each classifier sees, often resulting in considerably worsened generalization performance (particularly for high dimensional data domains) for each individual classifier. Generally, this drop in the accuracy of the individual classifier performance more than offsets any potential gains due to combining, unless diversity among classifiers is actively promoted. In this work, we introduce a method that: (1) reduces the correlation among the classifiers; (2) reduces the dimensionality of the data, thus lessening the impact of the 'curse of dimensionality'; and (3) improves the classification performance of the ensemble.

  2. Microcanonical ensemble extensive thermodynamics of Tsallis statistics

    International Nuclear Information System (INIS)

    Parvan, A.S.

    2006-01-01

    The microscopic foundation of the generalized equilibrium statistical mechanics based on the Tsallis entropy is given by using the Gibbs idea of statistical ensembles of the classical and quantum mechanics. The equilibrium distribution functions are derived by the thermodynamic method based upon the use of the fundamental equation of thermodynamics and the statistical definition of the functions of the state of the system. It is shown that if the entropic index ξ=1/(q-1) in the microcanonical ensemble is an extensive variable of the state of the system, then in the thermodynamic limit z-bar =1/(q-1)N=const the principle of additivity and the zero law of thermodynamics are satisfied. In particular, the Tsallis entropy of the system is extensive and the temperature is intensive. Thus, the Tsallis statistics completely satisfies all the postulates of the equilibrium thermodynamics. Moreover, evaluation of the thermodynamic identities in the microcanonical ensemble is provided by the Euler theorem. The principle of additivity and the Euler theorem are explicitly proved by using the illustration of the classical microcanonical ideal gas in the thermodynamic limit

  3. Regional interdependency of precipitation indices across Denmark in two ensembles of high-resolution RCMs

    DEFF Research Database (Denmark)

    Sunyer Pinya, Maria Antonia; Madsen, Henrik; Rosbjerg, Dan

    2013-01-01

    all these methods is that the climate models are independent. This study addresses the validity of this assumption for two ensembles of regional climate models (RCMs) from the Ensemble-Based Predictions of Climate Changes and their Impacts (ENSEMBLES) project based on the land cells covering Denmark....... Daily precipitation indices from an ensemble of RCMs driven by the 40-yrECMWFRe-Analysis (ERA-40) and an ensemble of the same RCMs driven by different general circulation models (GCMs) are analyzed. Two different methods are used to estimate the amount of independent information in the ensembles....... These are based on different statistical properties of a measure of climate model error. Additionally, a hierarchical cluster analysis is carried out. Regardless of the method used, the effective number of RCMs is smaller than the total number of RCMs. The estimated effective number of RCMs varies depending...

  4. Quantum ensembles of quantum classifiers.

    Science.gov (United States)

    Schuld, Maria; Petruccione, Francesco

    2018-02-09

    Quantum machine learning witnesses an increasing amount of quantum algorithms for data-driven decision making, a problem with potential applications ranging from automated image recognition to medical diagnosis. Many of those algorithms are implementations of quantum classifiers, or models for the classification of data inputs with a quantum computer. Following the success of collective decision making with ensembles in classical machine learning, this paper introduces the concept of quantum ensembles of quantum classifiers. Creating the ensemble corresponds to a state preparation routine, after which the quantum classifiers are evaluated in parallel and their combined decision is accessed by a single-qubit measurement. This framework naturally allows for exponentially large ensembles in which - similar to Bayesian learning - the individual classifiers do not have to be trained. As an example, we analyse an exponentially large quantum ensemble in which each classifier is weighed according to its performance in classifying the training data, leading to new results for quantum as well as classical machine learning.

  5. Generalized canonical correlation analysis of matrices with missing rows : A simulation study

    NARCIS (Netherlands)

    van de Velden, Michel; Bijmolt, Tammo H. A.

    A method is presented for generalized canonical correlation analysis of two or more matrices with missing rows. The method is a combination of Carroll's (1968) method and the missing data approach of the OVERALS technique (Van der Burg, 1988). In a simulation study we assess the performance of the

  6. Canonical forms for single-qutrit Clifford+T operators

    OpenAIRE

    Glaudell, Andrew N.; Ross, Neil J.; Taylor, Jacob M.

    2018-01-01

    We introduce canonical forms for single qutrit Clifford+T circuits and prove that every single-qutrit Clifford+T operator admits a unique such canonical form. We show that our canonical forms are T-optimal in the sense that among all the single-qutrit Clifford+T circuits implementing a given operator our canonical form uses the least number of T gates. Finally, we provide an algorithm which inputs the description of an operator (as a matrix or a circuit) and constructs the canonical form for ...

  7. Ensemble forecasting of species distributions.

    Science.gov (United States)

    Araújo, Miguel B; New, Mark

    2007-01-01

    Concern over implications of climate change for biodiversity has led to the use of bioclimatic models to forecast the range shifts of species under future climate-change scenarios. Recent studies have demonstrated that projections by alternative models can be so variable as to compromise their usefulness for guiding policy decisions. Here, we advocate the use of multiple models within an ensemble forecasting framework and describe alternative approaches to the analysis of bioclimatic ensembles, including bounding box, consensus and probabilistic techniques. We argue that, although improved accuracy can be delivered through the traditional tasks of trying to build better models with improved data, more robust forecasts can also be achieved if ensemble forecasts are produced and analysed appropriately.

  8. On the forecast skill of a convection-permitting ensemble

    Science.gov (United States)

    Schellander-Gorgas, Theresa; Wang, Yong; Meier, Florian; Weidle, Florian; Wittmann, Christoph; Kann, Alexander

    2017-01-01

    The 2.5 km convection-permitting (CP) ensemble AROME-EPS (Applications of Research to Operations at Mesoscale - Ensemble Prediction System) is evaluated by comparison with the regional 11 km ensemble ALADIN-LAEF (Aire Limitée Adaption dynamique Développement InterNational - Limited Area Ensemble Forecasting) to show whether a benefit is provided by a CP EPS. The evaluation focuses on the abilities of the ensembles to quantitatively predict precipitation during a 3-month convective summer period over areas consisting of mountains and lowlands. The statistical verification uses surface observations and 1 km × 1 km precipitation analyses, and the verification scores involve state-of-the-art statistical measures for deterministic and probabilistic forecasts as well as novel spatial verification methods. The results show that the convection-permitting ensemble with higher-resolution AROME-EPS outperforms its mesoscale counterpart ALADIN-LAEF for precipitation forecasts. The positive impact is larger for the mountainous areas than for the lowlands. In particular, the diurnal precipitation cycle is improved in AROME-EPS, which leads to a significant improvement of scores at the concerned times of day (up to approximately one-third of the scored verification measure). Moreover, there are advantages for higher precipitation thresholds at small spatial scales, which are due to the improved simulation of the spatial structure of precipitation.

  9. DroidEnsemble: Detecting Android Malicious Applications with Ensemble of String and Structural Static Features

    KAUST Repository

    Wang, Wei

    2018-05-11

    Android platform has dominated the Operating System of mobile devices. However, the dramatic increase of Android malicious applications (malapps) has caused serious software failures to Android system and posed a great threat to users. The effective detection of Android malapps has thus become an emerging yet crucial issue. Characterizing the behaviors of Android applications (apps) is essential to detecting malapps. Most existing work on detecting Android malapps was mainly based on string static features such as permissions and API usage extracted from apps. There also exists work on the detection of Android malapps with structural features, such as Control Flow Graph (CFG) and Data Flow Graph (DFG). As Android malapps have become increasingly polymorphic and sophisticated, using only one type of static features may result in false negatives. In this work, we propose DroidEnsemble that takes advantages of both string features and structural features to systematically and comprehensively characterize the static behaviors of Android apps and thus build a more accurate detection model for the detection of Android malapps. We extract each app’s string features, including permissions, hardware features, filter intents, restricted API calls, used permissions, code patterns, as well as structural features like function call graph. We then use three machine learning algorithms, namely, Support Vector Machine (SVM), k-Nearest Neighbor (kNN) and Random Forest (RF), to evaluate the performance of these two types of features and of their ensemble. In the experiments, We evaluate our methods and models with 1386 benign apps and 1296 malapps. Extensive experimental results demonstrate the effectiveness of DroidEnsemble. It achieves the detection accuracy as 95.8% with only string features and as 90.68% with only structural features. DroidEnsemble reaches the detection accuracy as 98.4% with the ensemble of both types of features, reducing 9 false positives and 12 false

  10. A model of individualized canonical microcircuits supporting cognitive operations.

    Directory of Open Access Journals (Sweden)

    Tim Kunze

    Full Text Available Major cognitive functions such as language, memory, and decision-making are thought to rely on distributed networks of a large number of basic elements, called canonical microcircuits. In this theoretical study we propose a novel canonical microcircuit model and find that it supports two basic computational operations: a gating mechanism and working memory. By means of bifurcation analysis we systematically investigate the dynamical behavior of the canonical microcircuit with respect to parameters that govern the local network balance, that is, the relationship between excitation and inhibition, and key intrinsic feedback architectures of canonical microcircuits. We relate the local behavior of the canonical microcircuit to cognitive processing and demonstrate how a network of interacting canonical microcircuits enables the establishment of spatiotemporal sequences in the context of syntax parsing during sentence comprehension. This study provides a framework for using individualized canonical microcircuits for the construction of biologically realistic networks supporting cognitive operations.

  11. Developing an Ensemble Prediction System based on COSMO-DE

    Science.gov (United States)

    Theis, S.; Gebhardt, C.; Buchhold, M.; Ben Bouallègue, Z.; Ohl, R.; Paulat, M.; Peralta, C.

    2010-09-01

    The numerical weather prediction model COSMO-DE is a configuration of the COSMO model with a horizontal grid size of 2.8 km. It has been running operationally at DWD since 2007, it covers the area of Germany and produces forecasts with a lead time of 0-21 hours. The model COSMO-DE is convection-permitting, which means that it does without a parametrisation of deep convection and simulates deep convection explicitly. One aim is an improved forecast of convective heavy rain events. Convection-permitting models are in operational use at several weather services, but currently not in ensemble mode. It is expected that an ensemble system could reveal the advantages of a convection-permitting model even better. The probabilistic approach is necessary, because the explicit simulation of convective processes for more than a few hours cannot be viewed as a deterministic forecast anymore. This is due to the chaotic behaviour and short life cycle of the processes which are simulated explicitly now. In the framework of the project COSMO-DE-EPS, DWD is developing and implementing an ensemble prediction system (EPS) for the model COSMO-DE. The project COSMO-DE-EPS comprises the generation of ensemble members, as well as the verification and visualization of the ensemble forecasts and also statistical postprocessing. A pre-operational mode of the EPS with 20 ensemble members is foreseen to start in 2010. Operational use is envisaged to start in 2012, after an upgrade to 40 members and inclusion of statistical postprocessing. The presentation introduces the project COSMO-DE-EPS and describes the design of the ensemble as it is planned for the pre-operational mode. In particular, the currently implemented method for the generation of ensemble members will be explained and discussed. The method includes variations of initial conditions, lateral boundary conditions, and model physics. At present, pragmatic methods are applied which resemble the basic ideas of a multi-model approach

  12. Learning to Run with Actor-Critic Ensemble

    OpenAIRE

    Huang, Zhewei; Zhou, Shuchang; Zhuang, BoEr; Zhou, Xinyu

    2017-01-01

    We introduce an Actor-Critic Ensemble(ACE) method for improving the performance of Deep Deterministic Policy Gradient(DDPG) algorithm. At inference time, our method uses a critic ensemble to select the best action from proposals of multiple actors running in parallel. By having a larger candidate set, our method can avoid actions that have fatal consequences, while staying deterministic. Using ACE, we have won the 2nd place in NIPS'17 Learning to Run competition, under the name of "Megvii-hzw...

  13. On the use and computation of the Jordan canonical form in system theory

    Science.gov (United States)

    Sridhar, B.; Jordan, D.

    1974-01-01

    This paper investigates various aspects of the application of the Jordan canonical form of a matrix in system theory and develops a computational approach to determining the Jordan form for a given matrix. Applications include pole placement, controllability and observability studies, serving as an intermediate step in yielding other canonical forms, and theorem proving. The computational method developed in this paper is both simple and efficient. The method is based on the definition of a generalized eigenvector and a natural extension of Gauss elimination techniques. Examples are included for demonstration purposes.

  14. Canonical formulation of IIB D-branes

    International Nuclear Information System (INIS)

    Kamimura, K.

    1998-01-01

    We find Wess-Zumino actions for kappa invariant type IIB D-branes in explicit forms. A simple and compact expression is obtained by the use of spinor variables which are defined as power series of differential forms. Using the Wess-Zumino actions we develop the canonical formulation and find the complete set of the constraint equations for generic type IIB Dp-branes. The conserved global supersymmetry charges are determined and the algebra containing the central charges can be obtained explicitly. (orig.)

  15. Canonically conjugate pairs and phase operators

    International Nuclear Information System (INIS)

    Schoenhammer, K.

    2002-01-01

    For quantum mechanics on a lattice the position ('particle number') operator and the quasimomentum ('phase') operator obey canonical commutation relations (CCRs) only on a dense set of the Hilbert space. We compare exact numerical results for a particle in a linear and a quadratic potential on the lattice with the expectations, when the CCRs are assumed to be strictly obeyed. Only for sufficiently smooth eigenfunctions does this lead to reasonable results. In the long time limit the use of the CCRs can lead to a qualitatively wrong dynamics even if the initial state is in the dense set

  16. Path integrals for arbitrary canonical transformations

    International Nuclear Information System (INIS)

    Oliveira, L.A.R. de.

    1980-01-01

    Some aspects of the path integral formulation of quantum mechanics are studied. This formalism is generalized to arbitrary canonical transformations, by means of an association between path integral probalility amplitudes and classical generators of transformations, analogous to the usual Hamiltonian time development phase space expression. Such association turns out to be equivalent to the Weyl quantization rule, and it is also shown that this formalism furnishes a path integral representation for a Lie algebra of a given set of classical generators. Some physical considerations about the path integral quantization procedure and about the relationship between classical and quantum dynamical structures are also discussed. (Author) [pt

  17. Canonical transformations and hamiltonian path integrals

    International Nuclear Information System (INIS)

    Prokhorov, L.V.

    1982-01-01

    Behaviour of the Hamiltonian path integrals under canonical transformations produced by a generator, is investigated. An exact form is determined for the kernel of the unitary operator realizing the corresponding quantum transformation. Equivalence rules are found (the Hamiltonian formalism, one-dimensional case) enabling one to exclude non-standard terms from the action. It is shown that the Hamiltonian path integral changes its form under cononical transformations: in the transformed expression besides the classical Hamiltonian function there appear some non-classical terms

  18. Convergence analysis of canonical genetic algorithms.

    Science.gov (United States)

    Rudolph, G

    1994-01-01

    This paper analyzes the convergence properties of the canonical genetic algorithm (CGA) with mutation, crossover and proportional reproduction applied to static optimization problems. It is proved by means of homogeneous finite Markov chain analysis that a CGA will never converge to the global optimum regardless of the initialization, crossover, operator and objective function. But variants of CGA's that always maintain the best solution in the population, either before or after selection, are shown to converge to the global optimum due to the irreducibility property of the underlying original nonconvergent CGA. These results are discussed with respect to the schema theorem.

  19. Teaching Strategies for Specialized Ensembles.

    Science.gov (United States)

    Teaching Music, 1999

    1999-01-01

    Provides a strategy, from the book "Strategies for Teaching Specialized Ensembles," that addresses Standard 9A of the National Standards for Music Education. Explains that students will identify and describe the musical and historical characteristics of the classical era in music they perform and in audio examples. (CMK)

  20. Multimodel ensembles of wheat growth

    DEFF Research Database (Denmark)

    Martre, Pierre; Wallach, Daniel; Asseng, Senthold

    2015-01-01

    , but such studies are difficult to organize and have only recently begun. We report on the largest ensemble study to date, of 27 wheat models tested in four contrasting locations for their accuracy in simulating multiple crop growth and yield variables. The relative error averaged over models was 24...

  1. Spectral Diagonal Ensemble Kalman Filters

    Czech Academy of Sciences Publication Activity Database

    Kasanický, Ivan; Mandel, Jan; Vejmelka, Martin

    2015-01-01

    Roč. 22, č. 4 (2015), s. 485-497 ISSN 1023-5809 R&D Projects: GA ČR GA13-34856S Grant - others:NSF(US) DMS-1216481 Institutional support: RVO:67985807 Keywords : data assimilation * ensemble Kalman filter * spectral representation Subject RIV: DG - Athmosphere Sciences, Meteorology Impact factor: 1.321, year: 2015

  2. Genetic Algorithm Optimized Neural Networks Ensemble as ...

    African Journals Online (AJOL)

    Marquardt algorithm by varying conditions such as inputs, hidden neurons, initialization, training sets and random Gaussian noise injection to ... Several such ensembles formed the population which was evolved to generate the fittest ensemble.

  3. Global Ensemble Forecast System (GEFS) [1 Deg.

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Global Ensemble Forecast System (GEFS) is a weather forecast model made up of 21 separate forecasts, or ensemble members. The National Centers for Environmental...

  4. Localization of atomic ensembles via superfluorescence

    International Nuclear Information System (INIS)

    Macovei, Mihai; Evers, Joerg; Keitel, Christoph H.; Zubairy, M. Suhail

    2007-01-01

    The subwavelength localization of an ensemble of atoms concentrated to a small volume in space is investigated. The localization relies on the interaction of the ensemble with a standing wave laser field. The light scattered in the interaction of the standing wave field and the atom ensemble depends on the position of the ensemble relative to the standing wave nodes. This relation can be described by a fluorescence intensity profile, which depends on the standing wave field parameters and the ensemble properties and which is modified due to collective effects in the ensemble of nearby particles. We demonstrate that the intensity profile can be tailored to suit different localization setups. Finally, we apply these results to two localization schemes. First, we show how to localize an ensemble fixed at a certain position in the standing wave field. Second, we discuss localization of an ensemble passing through the standing wave field

  5. Curve Boxplot: Generalization of Boxplot for Ensembles of Curves.

    Science.gov (United States)

    Mirzargar, Mahsa; Whitaker, Ross T; Kirby, Robert M

    2014-12-01

    In simulation science, computational scientists often study the behavior of their simulations by repeated solutions with variations in parameters and/or boundary values or initial conditions. Through such simulation ensembles, one can try to understand or quantify the variability or uncertainty in a solution as a function of the various inputs or model assumptions. In response to a growing interest in simulation ensembles, the visualization community has developed a suite of methods for allowing users to observe and understand the properties of these ensembles in an efficient and effective manner. An important aspect of visualizing simulations is the analysis of derived features, often represented as points, surfaces, or curves. In this paper, we present a novel, nonparametric method for summarizing ensembles of 2D and 3D curves. We propose an extension of a method from descriptive statistics, data depth, to curves. We also demonstrate a set of rendering and visualization strategies for showing rank statistics of an ensemble of curves, which is a generalization of traditional whisker plots or boxplots to multidimensional curves. Results are presented for applications in neuroimaging, hurricane forecasting and fluid dynamics.

  6. The Application of Canonical Correlation to Two-Dimensional Contingency Tables

    Directory of Open Access Journals (Sweden)

    Alberto F. Restori

    2010-03-01

    Full Text Available This paper re-introduces and demonstrates the use of Mickey’s (1970 canonical correlation method in analyzing large two-dimensional contingency tables. This method of analysis supplements the traditional analysis using the Pearson chi-square. Examples and a MATLAB source listing are provided.

  7. A novel hybrid ensemble learning paradigm for nuclear energy consumption forecasting

    International Nuclear Information System (INIS)

    Tang, Ling; Yu, Lean; Wang, Shuai; Li, Jianping; Wang, Shouyang

    2012-01-01

    Highlights: ► A hybrid ensemble learning paradigm integrating EEMD and LSSVR is proposed. ► The hybrid ensemble method is useful to predict time series with high volatility. ► The ensemble method can be used for both one-step and multi-step ahead forecasting. - Abstract: In this paper, a novel hybrid ensemble learning paradigm integrating ensemble empirical mode decomposition (EEMD) and least squares support vector regression (LSSVR) is proposed for nuclear energy consumption forecasting, based on the principle of “decomposition and ensemble”. This hybrid ensemble learning paradigm is formulated specifically to address difficulties in modeling nuclear energy consumption, which has inherently high volatility, complexity and irregularity. In the proposed hybrid ensemble learning paradigm, EEMD, as a competitive decomposition method, is first applied to decompose original data of nuclear energy consumption (i.e. a difficult task) into a number of independent intrinsic mode functions (IMFs) of original data (i.e. some relatively easy subtasks). Then LSSVR, as a powerful forecasting tool, is implemented to predict all extracted IMFs independently. Finally, these predicted IMFs are aggregated into an ensemble result as final prediction, using another LSSVR. For illustration and verification purposes, the proposed learning paradigm is used to predict nuclear energy consumption in China. Empirical results demonstrate that the novel hybrid ensemble learning paradigm can outperform some other popular forecasting models in both level prediction and directional forecasting, indicating that it is a promising tool to predict complex time series with high volatility and irregularity.

  8. Are neoclassical canons valid for southern Chinese faces?

    Directory of Open Access Journals (Sweden)

    Yasas S N Jayaratne

    Full Text Available BACKGROUND: Proportions derived from neoclassical canons, initially described by Renaissance sculptors and painters, are still being employed as aesthetic guidelines during the clinical assessment of the facial morphology. OBJECTIVE: 1. to determine the applicability of neoclassical canons for Southern Chinese faces and 2. to explore gender differences in relation to the applicability of the neoclassical canons and their variants. METHODOLOGY: 3-D photographs acquired from 103 young adults (51 males and 52 females without facial dysmorphology were used to test applicability of four neoclassical canons. Standard anthropometric measurements that determine the facial canons were made on these 3-D images. The validity of the canons as well as their different variants were quantified. PRINCIPAL FINDINGS: The neoclassical cannons seldom applied to these individuals, and facial three-section and orbital canons did not apply at all. The orbitonasal canon was most frequently applicable, with a frequency of 19%. Significant sexual dimorphism was found relative to the prevalence of the variants of facial three-section and orbitonasal canons. CONCLUSION: The neoclassical canons did not appear to apply to our sample when rigorous quantitative measurements were employed. Thus, they should not be used as esthetic goals for craniofacial surgical interventions.

  9. Squeezing of Collective Excitations in Spin Ensembles

    DEFF Research Database (Denmark)

    Kraglund Andersen, Christian; Mølmer, Klaus

    2012-01-01

    We analyse the possibility to create two-mode spin squeezed states of two separate spin ensembles by inverting the spins in one ensemble and allowing spin exchange between the ensembles via a near resonant cavity field. We investigate the dynamics of the system using a combination of numerical an...

  10. Canonical decomposition of magnetotelluric responses: Experiment on 1D anisotropic structures

    Science.gov (United States)

    Guo, Ze-qiu; Wei, Wen-bo; Ye, Gao-feng; Jin, Sheng; Jing, Jian-en

    2015-08-01

    Horizontal electrical heterogeneity of subsurface earth is mostly originated from structural complexity and electrical anisotropy, and local near-surface electrical heterogeneity will severely distort regional electromagnetic responses. Conventional distortion analyses for magnetotelluric soundings are primarily physical decomposition methods with respect to isotropic models, which mostly presume that the geoelectric distribution of geological structures is of local and regional patterns represented by 3D/2D models. Due to the widespread anisotropy of earth media, the confusion between 1D anisotropic responses and 2D isotropic responses, and the defects of physical decomposition methods, we propose to conduct modeling experiments with canonical decomposition in terms of 1D layered anisotropic models, and the method is one of the mathematical decomposition methods based on eigenstate analyses differentiated from distortion analyses, which can be used to recover electrical information such as strike directions, and maximum and minimum conductivity. We tested this method with numerical simulation experiments on several 1D synthetic models, which turned out that canonical decomposition is quite effective to reveal geological anisotropic information. Finally, for the background of anisotropy from previous study by geological and seismological methods, canonical decomposition is applied to real data acquired in North China Craton for 1D anisotropy analyses, and the result shows that, with effective modeling and cautious interpretation, canonical decomposition could be another good method to detect anisotropy of geological media.

  11. Products of random matrices from fixed trace and induced Ginibre ensembles

    Science.gov (United States)

    Akemann, Gernot; Cikovic, Milan

    2018-05-01

    We investigate the microcanonical version of the complex induced Ginibre ensemble, by introducing a fixed trace constraint for its second moment. Like for the canonical Ginibre ensemble, its complex eigenvalues can be interpreted as a two-dimensional Coulomb gas, which are now subject to a constraint and a modified, collective confining potential. Despite the lack of determinantal structure in this fixed trace ensemble, we compute all its density correlation functions at finite matrix size and compare to a fixed trace ensemble of normal matrices, representing a different Coulomb gas. Our main tool of investigation is the Laplace transform, that maps back the fixed trace to the induced Ginibre ensemble. Products of random matrices have been used to study the Lyapunov and stability exponents for chaotic dynamical systems, where the latter are based on the complex eigenvalues of the product matrix. Because little is known about the universality of the eigenvalue distribution of such product matrices, we then study the product of m induced Ginibre matrices with a fixed trace constraint—which are clearly non-Gaussian—and M  ‑  m such Ginibre matrices without constraint. Using an m-fold inverse Laplace transform, we obtain a concise result for the spectral density of such a mixed product matrix at finite matrix size, for arbitrary fixed m and M. Very recently local and global universality was proven by the authors and their coworker for a more general, single elliptic fixed trace ensemble in the bulk of the spectrum. Here, we argue that the spectral density of mixed products is in the same universality class as the product of M independent induced Ginibre ensembles.

  12. Data assimilation the ensemble Kalman filter

    CERN Document Server

    Evensen, Geir

    2007-01-01

    Data Assimilation comprehensively covers data assimilation and inverse methods, including both traditional state estimation and parameter estimation. This text and reference focuses on various popular data assimilation methods, such as weak and strong constraint variational methods and ensemble filters and smoothers. It is demonstrated how the different methods can be derived from a common theoretical basis, as well as how they differ and/or are related to each other, and which properties characterize them, using several examples. Rather than emphasize a particular discipline such as oceanography or meteorology, it presents the mathematical framework and derivations in a way which is common for any discipline where dynamics is merged with measurements. The mathematics level is modest, although it requires knowledge of basic spatial statistics, Bayesian statistics, and calculus of variations. Readers will also appreciate the introduction to the mathematical methods used and detailed derivations, which should b...

  13. An intercomparison of a large ensemble of statistical downscaling methods for Europe: Overall results from the VALUE perfect predictor cross-validation experiment

    Science.gov (United States)

    Gutiérrez, Jose Manuel; Maraun, Douglas; Widmann, Martin; Huth, Radan; Hertig, Elke; Benestad, Rasmus; Roessler, Ole; Wibig, Joanna; Wilcke, Renate; Kotlarski, Sven

    2016-04-01

    VALUE is an open European network to validate and compare downscaling methods for climate change research (http://www.value-cost.eu). A key deliverable of VALUE is the development of a systematic validation framework to enable the assessment and comparison of both dynamical and statistical downscaling methods. This framework is based on a user-focused validation tree, guiding the selection of relevant validation indices and performance measures for different aspects of the validation (marginal, temporal, spatial, multi-variable). Moreover, several experiments have been designed to isolate specific points in the downscaling procedure where problems may occur (assessment of intrinsic performance, effect of errors inherited from the global models, effect of non-stationarity, etc.). The list of downscaling experiments includes 1) cross-validation with perfect predictors, 2) GCM predictors -aligned with EURO-CORDEX experiment- and 3) pseudo reality predictors (see Maraun et al. 2015, Earth's Future, 3, doi:10.1002/2014EF000259, for more details). The results of these experiments are gathered, validated and publicly distributed through the VALUE validation portal, allowing for a comprehensive community-open downscaling intercomparison study. In this contribution we describe the overall results from Experiment 1), consisting of a European wide 5-fold cross-validation (with consecutive 6-year periods from 1979 to 2008) using predictors from ERA-Interim to downscale precipitation and temperatures (minimum and maximum) over a set of 86 ECA&D stations representative of the main geographical and climatic regions in Europe. As a result of the open call for contribution to this experiment (closed in Dec. 2015), over 40 methods representative of the main approaches (MOS and Perfect Prognosis, PP) and techniques (linear scaling, quantile mapping, analogs, weather typing, linear and generalized regression, weather generators, etc.) were submitted, including information both data

  14. Turbulent transport across invariant canonical flux surfaces

    International Nuclear Information System (INIS)

    Hollenberg, J.B.; Callen, J.D.

    1994-07-01

    Net transport due to a combination of Coulomb collisions and turbulence effects in a plasma is investigated using a fluid moment description that allows for kinetic and nonlinear effects via closure relations. The model considered allows for ''ideal'' turbulent fluctuations that distort but preserve the topology of species-dependent canonical flux surfaces ψ number-sign,s triple-bond ∫ dF · B number-sign,s triple-bond ∇ x [A + (m s /q s )u s ] in which u s is the flow velocity of the fluid species. Equations for the net transport relative to these surfaces due to ''nonideal'' dissipative processes are found for the total number of particles and total entropy enclosed by a moving canonical flux surface. The corresponding particle transport flux is calculated using a toroidal axisymmetry approximation of the ideal surfaces. The resulting Lagrangian transport flux includes classical, neoclassical-like, and anomalous contributions and shows for the first time how these various contributions should be summed to obtain the total particle transport flux

  15. Canonical quantization of the generalized axial gauge

    International Nuclear Information System (INIS)

    Haller, K.

    1990-01-01

    The incompatibility of the constraint A 3 =0 with canonical commutation rules is discussed. A canonical formulation is given of QED and QCD in the axial gauge with n 1 =n 2 =0, n 3 =α and n 0 =β, where α and β are arbitrary real numbers. A Hilbert space is established for the perturbative theory, and a propagator is derived by obtaining an expression for the interaction picture gauge fields, and evaluating the vacuum expectation value of its time-ordered products in the perturbative vacuum. The propagator is expressed in terms of the parameter γ=α/β and is shown to reproduce the light cone gauge propagator when γ=1, and the temporal gauge propagator when γ=0, accommodating various prescriptions for the spurious propagator pole, including the Mandelstam-Leibbrandt and principal value prescriptions. When γ→∞, the generalized axial gauge propagator leads to an expression for the propagator in the A 3 =0 gauge, though in that case the order in which the integration over k 0 is performed, and the limit γ→∞ is taken, affects the resulting expression. Another Hilbert space is established, in which the constraints that include all interactions are implemented in a time independent fashion. It is pointed out that this Hilbert space, and the Hilbert space of the perturbative theory are unitarily equivalent in QED, but that they cannot be unitarily equivalent in QCD. Implications of this fact for the nonperturbative states of QCD are discussed. (orig.)

  16. New constraints for canonical general relativity

    International Nuclear Information System (INIS)

    Reisenberger, M.P.

    1995-01-01

    Ashtekar's canonical theory of classical complex Euclidean GR (no Lorentzian reality conditions) is found to be invariant under the full algebra of infinitesimal 4-diffeomorphisms, but non-invariant under some finite proper 4-diffeos when the densitized dreibein, E a i , is degenerate. The breakdown of 4-diffeo invariance appears to be due to the inability of the Ashtekar Hamiltonian to generate births and deaths of E flux loops (leaving open the possibility that a new 'causality condition' forbidding the birth of flux loops might justify the non-invariance of the theory).A fully 4-diffeo invariant canonical theory in Ashtekar's variables, derived from Plebanski's action, is found to have constraints that are stronger than Ashtekar's for rank E< 2. The corresponding Hamiltonian generates births and deaths of E flux loops.It is argued that this implies a finite amplitude for births and deaths of loops in the physical states of quantum GR in the loop representation, thus modifying this (partly defined) theory substantially.Some of the new constraints are second class, leading to difficulties in quantization in the connection representation. This problem might be overcome in a very nice way by transforming to the classical loop variables, or the 'Faraday line' variables of Newman and Rovelli, and then solving the offending constraints.Note that, though motivated by quantum considerations, the present paper is classical in substance. (orig.)

  17. Power, Gender, and Canon Formation in Mexico

    Directory of Open Access Journals (Sweden)

    Cynthia Steele

    1996-01-01

    Full Text Available I propose to analyze Castellanos's trajectory from marginalized ethnographer and critic of "latino" society, to presidential insider and ambassador, and the first modern Mexican woman writer to be accepted into the literary canon. I will explore the intersection of politics, gender, and the (self- creation of a literary persona with regard to the following issues: 1 the tension between self-exposure and self-censorship in Castellanos's literary work; 2 Castellanos's intense and problematic relationship with her illegitimate, mestizo half-brother; 3 the coincidences and contradictions between Castellanos's journalistic account of her relationship with her servant Maria Escandon, and Maria's own oral history twenty years later; 4 the tension between depression and dependency, on the one hand, and self-assertiveness and audacity, on the other; 5 the relation between Castellanos's role as ambassador and the personal, apolitical, often frivolous character of her journalistic articles written in Israel; 6 the contradictory readings of Castellanos's death, and the respective implications for her place in the canon; and 7 the implications, for their reception, of the love letters published in Cartas a Ricardo 1994, as opposed to 1974.

  18. Study of Monte Carlo Simulation Method for Methane Phase Diagram Prediction using Two Different Potential Models

    KAUST Repository

    Kadoura, Ahmad

    2011-06-06

    Lennard‐Jones (L‐J) and Buckingham exponential‐6 (exp‐6) potential models were used to produce isotherms for methane at temperatures below and above critical one. Molecular simulation approach, particularly Monte Carlo simulations, were employed to create these isotherms working with both canonical and Gibbs ensembles. Experiments in canonical ensemble with each model were conducted to estimate pressures at a range of temperatures above methane critical temperature. Results were collected and compared to experimental data existing in literature; both models showed an elegant agreement with the experimental data. In parallel, experiments below critical temperature were run in Gibbs ensemble using L‐J model only. Upon comparing results with experimental ones, a good fit was obtained with small deviations. The work was further developed by adding some statistical studies in order to achieve better understanding and interpretation to the estimated quantities by the simulation. Methane phase diagrams were successfully reproduced by an efficient molecular simulation technique with different potential models. This relatively simple demonstration shows how powerful molecular simulation methods could be, hence further applications on more complicated systems are considered. Prediction of phase behavior of elemental sulfur in sour natural gases has been an interesting and challenging field in oil and gas industry. Determination of elemental sulfur solubility conditions helps avoiding all kinds of problems caused by its dissolution in gas production and transportation processes. For this purpose, further enhancement to the methods used is to be considered in order to successfully simulate elemental sulfur phase behavior in sour natural gases mixtures.

  19. Reservoir History Matching Using Ensemble Kalman Filters with Anamorphosis Transforms

    KAUST Repository

    Aman, Beshir M.

    2012-12-01

    This work aims to enhance the Ensemble Kalman Filter performance by transforming the non-Gaussian state variables into Gaussian variables to be a step closer to optimality. This is done by using univariate and multivariate Box-Cox transformation. Some History matching methods such as Kalman filter, particle filter and the ensemble Kalman filter are reviewed and applied to a test case in the reservoir application. The key idea is to apply the transformation before the update step and then transform back after applying the Kalman correction. In general, the results of the multivariate method was promising, despite the fact it over-estimated some variables.

  20. Robust Ensemble Filtering and Its Relation to Covariance Inflation in the Ensemble Kalman Filter

    KAUST Repository

    Luo, Xiaodong

    2011-12-01

    A robust ensemble filtering scheme based on the H∞ filtering theory is proposed. The optimal H∞ filter is derived by minimizing the supremum (or maximum) of a predefined cost function, a criterion different from the minimum variance used in the Kalman filter. By design, the H∞ filter is more robust than the Kalman filter, in the sense that the estimation error in the H∞ filter in general has a finite growth rate with respect to the uncertainties in assimilation, except for a special case that corresponds to the Kalman filter. The original form of the H∞ filter contains global constraints in time, which may be inconvenient for sequential data assimilation problems. Therefore a variant is introduced that solves some time-local constraints instead, and hence it is called the time-local H∞ filter (TLHF). By analogy to the ensemble Kalman filter (EnKF), the concept of ensemble time-local H∞ filter (EnTLHF) is also proposed. The general form of the EnTLHF is outlined, and some of its special cases are discussed. In particular, it is shown that an EnKF with certain covariance inflation is essentially an EnTLHF. In this sense, the EnTLHF provides a general framework for conducting covariance inflation in the EnKF-based methods. Some numerical examples are used to assess the relative robustness of the TLHF–EnTLHF in comparison with the corresponding KF–EnKF method.