Extended Ensemble Monte Carlo

``Extended Ensemble Monte Carlo''is a generic term that indicates a set of algorithms which are now popular in a variety of fields in physics and statistical information processing. Exchange Monte Carlo (Metropolis-Coupled Chain, Parallel Tempering), Simulated Tempering (Expanded Ensemble Monte Carlo), and Multicanonical Monte Carlo (Adaptive Umbrella Sampling) are typical members of this family. Here we give a cross-disciplinary survey of these algorithms with special emphasis on the great flexibility of the underlying idea. In Sec.2, we discuss the background of Extended Ensemble Monte Carlo. In Sec.3, 4 and 5, three types of the algorithms, i.e., Exchange Monte Carlo, Simulated Tempering, Multicanonical Monte Carlo are introduced. In Sec.6, we give an introduction to Replica Monte Carlo algorithm by Swendsen and Wang. Strategies for the construction of special-purpose extended ensembles are discussed in Sec.7. We stress that an extension is not necessary restricted to the space of energy or temperature. Even unphysical (unrealizable) configurations can be included in the ensemble, if the resultant fast mixing of the Markov chain offsets the increasing cost of the sampling procedure. Multivariate (multi-component) extensions are also useful in many examples. In Sec.8, we give a survey on extended ensembles with a state space whose dimensionality is dynamically varying. In the appendix, we discuss advantages and disadvantages of three types of extended ensemble algorithms.Comment: Major revision that includes addition of concrete examples, references, improved introduction to Multicanonical MC, change in the order of the sections, and a number of small but important corrections. 49 pages, no figure

Multicanonical sampling of rare events in random matrices

A method based on multicanonical Monte Carlo is applied to the calculation of large deviations in the largest eigenvalue of random matrices. The method is successfully tested with the Gaussian orthogonal ensemble (GOE), sparse random matrices, and matrices whose components are subject to uniform density. Specifically, the probability that all eigenvalues of a matrix are negative is estimated in these cases down to the values of $\sim 10^{-200}$, a region where naive random sampling is ineffective. The method can be applied to any ensemble of matrices and used for sampling rare events characterized by any statistics.Comment: 7 pages, 7 figure

Simulation of Lattice Polymers with Multi-Self-Overlap Ensemble

A novel family of dynamical Monte Carlo algorithms for lattice polymers is proposed. Our central idea is to simulate an extended ensemble in which the self-avoiding condition is systematically weakened. The degree of the self-overlap is controlled in a similar manner as the multicanonical ensemble. As a consequence, the ensemble --the multi-self-overlap ensemble-- contains adequate portions of self-overlapping conformations as well as higher energy ones. It is shown that the multi-self-overlap ensemble algorithm reproduce correctly the canonical averages at finite temperatures of the HP model of lattice proteins. Moreover, it outperforms massively a standard multicanonical algorithm for a difficult example of a polymer with 8-stickers. Alternative algorithm based on exchange Monte Carlo method is also discussed.Comment: 5 Pages, 4 Postscript figures, uses epsf.st

A high-throughput approach developing lithium-niobium-tantalum oxides as electrolyte/cathode interlayers for high-voltage all-solid-state lithium batteries

The ever-increasing interest in sustainable mobility is driving the development of innovative batteries with increased energy densities relative to currently commercialized lithium-ion batteries. All-solid-state batteries using 5 V-class positive electrodes are one of those batteries due to their larger volumetric energy density and their superior durability. However, their power density tends to be limited by the large charge transfer resistance at their electrolyte/5 V-electrode interfaces; one explanation for this is the development of significant Li+ deficient layers at the interface. Here we propose a new interlayer material that would effectively resolve the Li+ deficient layers. The partially-crystallized Li56Nb22Ta22 oxide was identified using the molecular beam epitaxy (MBE) based high-throughput physical vapor deposition (HT-PVD) approach. Its higher ionic conductivity of 4.2 ?S cm?1 and higher permittivity of 165 when measured at 254 kHz, relative to those of conventional LiNbO3 interlayer (1.8 ?S cm?1 and 95, respectively) will be effective for fast charge transfer reactions at the electrolyte /cathode interfaces in 5 V-class all-solid-state batteries

Raman tensor analysis of hexagonal polyoxymethylene and its application to study the molecular arrangement in highly crystalline electrospun nanofibers

The orientation dependence in space of Raman-active vibrations in the hexagonal structure of polyoxymethylene (POM) is discussed in terms of Raman tensor elements as intrinsic physical parameters of the lattice. The variation of polarized intensity for the A1 and the E1 vibrational modes with respect to the POM molecular orientation is systematically studied, from both theoretical and experimental viewpoints, according to the symmetry assignments of each vibrational mode. A set of working equations including the Raman selection rules associated with the A1 and the E1 modes and the orientation distribution function are explicitly formulated and validated by means of a least-square fitting procedure on experimental data. In addition, an approach based on the introduction of orientation distribution functions is applied to quantitatively assess and compare on a statistical base the molecular orientation of two different types of electrospun POM nanofibers. Copyright (c) 2012 John Wiley & Sons, Ltd

Critical Noise Levels for LDPC decoding

We determine the critical noise level for decoding low density parity check error correcting codes based on the magnetization enumerator (\cM), rather than on the weight enumerator (\cW) employed in the information theory literature. The interpretation of our method is appealingly simple, and the relation between the different decoding schemes such as typical pairs decoding, MAP, and finite temperature decoding (MPM) becomes clear. In addition, our analysis provides an explanation for the difference in performance between MN and Gallager codes. Our results are more optimistic than those derived via the methods of information theory and are in excellent agreement with recent results from another statistical physics approach.Comment: 9 pages, 5 figure

Testing Error Correcting Codes by Multicanonical Sampling of Rare Events

The idea of rare event sampling is applied to the estimation of the performance of error-correcting codes. The essence of the idea is importance sampling of the pattern of noises in the channel by Multicanonical Monte Carlo, which enables efficient estimation of tails of the distribution of bit error rate. The idea is successfully tested with a convolutional code

Analysis of common attacks in LDPCC-based public-key cryptosystems

We analyze the security and reliability of a recently proposed class of public-key cryptosystems against attacks by unauthorized parties who have acquired partial knowledge of one or more of the private key components and/or of the plaintext. Phase diagrams are presented, showing critical partial knowledge levels required for unauthorized decryptionComment: 14 pages, 6 figure

Experimental aspects of SU(5)xU(1) supergravity

We study various aspects of $SU(5)\times U(1)$ supergravity as they relate to the experimental verification or falsification of this model. We consider two string-inspired, universal, one-parameter, no-scale soft-supersymmetry-breaking scenarios, driven by the $F$-terms of the moduli and dilaton fields. The model is described in terms of the supersymmetry mass scale (\ie, the chargino mass $m_{\chi^\pm_1}$), $\tan\beta$, and the top-quark mass. We first determine the combined effect on the parameter space of all presently available direct and indirect experimental constraints, including the LEP lower bounds on sparticle and Higgs-boson masses, the $b\to s\gamma$ rate, the anomalous magnetic moment of the muon, the high-precision electroweak parameters $\epsilon_1,\epsilon_b$ (which imply m_t\lsim180\GeV), and the muon fluxes in underground detectors (neutrino telescopes). For the still-allowed points in $(m_{\chi^\pm_1},\tan\beta)$ parameter space, we re-evaluate the experimental situation at the Tevatron, LEPII, and HERA. In the 1994 run, the Tevatron could probe chargino masses as high as 100 GeV. At LEPII the parameter space could be explored with probes of different resolutions: Higgs boson searches, selectron searches, and chargino searches. Moreover, for m_t\lsim150\GeV, these Higgs-boson searches could explore all of the allowed parameter space with \sqrt{s}\lsim210\GeV.Comment: latex, 36 pages, 25 figures (not included). Figures are available via anonymous ftp from hplaa02.cern.ch (/pub/lopez) as either 33 ps files (Easpects*.ps, 8.1MB) or one uuencoded file (AllFigures.uu, 3.7MB

Optically-pumped dilute nitride spin-VCSEL

We report the first room temperature optical spin-injection of a dilute nitride 1300 nm vertical-cavity surface-emitting laser (VCSEL) under continuous-wave optical pumping. We also present a novel experimental protocol for the investigation of optical spin-injection with a fiber setup. The experimental results indicate that the VCSEL polarization can be controlled by the pump polarization, and the measured behavior is in excellent agreement with theoretical predictions using the spin flip model. The ability to control the polarization of a long-wavelength VCSEL at room temperature emitting at the wavelength of 1.3 μm opens up a new exciting research avenue for novel uses in disparate fields of technology ranging from spintronics to optical telecommunication networks. © 2012 Optical Society of America