51,783 research outputs found

    Monte Carlo Algorithm for Simulating Reversible Aggregation of Multisite Particles

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    We present an efficient and exact Monte Carlo algorithm to simulate reversible aggregation of particles with dedicated binding sites. This method introduces a novel data structure of dynamic bond tree to record clusters and sequences of bond formations. The algorithm achieves a constant time cost for processing cluster association and a cost between O(logM)\mathcal{O}(\log M) and O(M)\mathcal{O}(M) for processing bond dissociation in clusters with MM bonds. The algorithm is statistically exact and can reproduce results obtained by the standard method. We applied the method to simulate a trivalent ligand and a bivalent receptor clustering system and obtained an average scaling of O(M0.45)\mathcal{O}(M^{0.45}) for processing bond dissociation in acyclic aggregation, compared to a linear scaling with the cluster size in standard methods. The algorithm also demands substantially less memory than the conventional method.Comment: 8 pages, 3 figure

    Elastic-Net Regularization: Error estimates and Active Set Methods

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    This paper investigates theoretical properties and efficient numerical algorithms for the so-called elastic-net regularization originating from statistics, which enforces simultaneously l^1 and l^2 regularization. The stability of the minimizer and its consistency are studied, and convergence rates for both a priori and a posteriori parameter choice rules are established. Two iterative numerical algorithms of active set type are proposed, and their convergence properties are discussed. Numerical results are presented to illustrate the features of the functional and algorithms

    Semi-Inclusive B\to K(K^*) X Decays with Initial Bound State Effects

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    The effects of initial bb quark bound state for the semi-inclusive decays BK(K)XB\to K(K^*) X are studied using light cone expansion and heavy quark effective theory methods. We find that the initial bound state effects on the branching ratios and CP asymmetries are small. In the light cone expansion approach, the CP-averaged branching ratios are increased by about 2% with respect to the free bb-quark decay. For Bˉ0K(K)X\bar B^0 \to K^- (K^{*-}) X, the CP-averaged branching ratios are sensitive to the phase γ\gamma and the CP asymmetry can be as large as 7% (14%), whereas for BKˉ0(Kˉ0)XB^-\to \bar K^0 (\bar K^{*0})X the CP-averaged branching ratios are not sensitive to γ\gamma and the CP asymmetries are small (<1< 1%). The CP-averaged branching ratios are predicted to be in the ranges (0.531.5)×104(0.53 \sim 1.5)\times 10^{-4} [(0.252.0)×104(0.25 \sim 2.0)\times 10^{-4}] for Bˉ0K(K)X\bar B^0 \to K^- (K^{*-})X and (0.770.84)×104(0.77 \sim 0.84)\times 10^{-4} [(0.670.74)×104(0.67 \sim 0.74)\times 10^{-4}] for BKˉ0(Kˉ0)XB^-\to \bar K^0 (\bar K^{*0}) X, depending on the value of the CP violating phase γ\gamma. In the heavy quark effective theory approach, we find that the branching ratios are decreased by about 10% and the CP asymmetries are not affected. These predictions can be tested in the near future.Comment: 29 pages, 12 ps figure

    Benchmark generator for CEC 2009 competition on dynamic optimization

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    Evolutionary algorithms(EAs) have been widely applied to solve stationary optimization problems. However, many real-world applications are actually dynamic. In order to study the performance of EAs in dynamic environments, one important task is to develop proper dynamic benchmark problems. Over the years, researchers have applied a number of dynamic test problems to compare the performance of EAs in dynamic environments, e.g., the “moving peaks ” benchmark (MPB) proposed by Branke [1], the DF1 generator introduced by Morrison and De Jong [6], the singleand multi-objective dynamic test problem generator by dynamically combining different objective functions of exiting stationary multi-objective benchmark problems suggested by Jin and Sendhoff [2], Yang and Yao’s exclusive-or (XOR) operator [10, 11, 12], Kang’s dynamic traveling salesman problem (DTSP) [3] and dynamic multi knapsack problem (DKP), etc. Though a number of DOP generators exist in the literature, there is no unified approach of constructing dynamic problems across the binary space, real space and combinatorial space so far. This report uses the generalized dynamic benchmark generator (GDBG) proposed in [4], which construct dynamic environments for all the three solution spaces. Especially, in the rea

    Thermal expansion in carbon nanotubes and graphene: nonequilibrium Green's function approach

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    The nonequilibrium Green's function method is applied to investigate the coefficient of thermal expansion (CTE) in single-walled carbon nanotubes (SWCNT) and graphene. It is found that atoms deviate about 1% from equilibrium positions at T=0 K, resulting from the interplay between quantum zero-point motion and nonlinear interaction. The CTE in SWCNT of different sizes is studied and analyzed in terms of the competition between various vibration modes. As a result of this competition, the axial CTE is positive in the whole temperature range, while the radial CTE is negative at low temperatures. In graphene, the CTE is very sensitive to the substrate. Without substrate, CTE has large negative region at low temperature and very small value at high temperature limit, and the value of CTE at T=300 K is 6×106-6\times 10^{-6} K1^{-1} which is very close to recent experimental result, 7×106-7\times 10^{-6} K1^{-1} (Nat. Nanotechnol. \textbf{10}, 1038 (2009)). A very weak substrate interaction (about 0.06% of the in-plane interaction) can largely reduce the negative CTE region and greatly enhance the value of CTE. If the substrate interaction is strong enough, the CTE will be positive in whole temperature range and the saturate value at high temperature reaches 2.0×1052.0\times 10^{-5} K1^{-1}.Comment: final version, to appear in PR
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