Construction of weakly CUD sequences for MCMC sampling

In Markov chain Monte Carlo (MCMC) sampling considerable thought goes into constructing random transitions. But those transitions are almost always driven by a simulated IID sequence. Recently it has been shown that replacing an IID sequence by a weakly completely uniformly distributed (WCUD) sequence leads to consistent estimation in finite state spaces. Unfortunately, few WCUD sequences are known. This paper gives general methods for proving that a sequence is WCUD, shows that some specific sequences are WCUD, and shows that certain operations on WCUD sequences yield new WCUD sequences. A numerical example on a 42 dimensional continuous Gibbs sampler found that some WCUD inputs sequences produced variance reductions ranging from tens to hundreds for posterior means of the parameters, compared to IID inputs.Comment: Published in at http://dx.doi.org/10.1214/07-EJS162 the Electronic Journal of Statistics (http://www.i-journals.org/ejs/) by the Institute of Mathematical Statistics (http://www.imstat.org

Outlier Detection Using Nonconvex Penalized Regression

This paper studies the outlier detection problem from the point of view of penalized regressions. Our regression model adds one mean shift parameter for each of the $n$ data points. We then apply a regularization favoring a sparse vector of mean shift parameters. The usual $L_1$ penalty yields a convex criterion, but we find that it fails to deliver a robust estimator. The $L_1$ penalty corresponds to soft thresholding. We introduce a thresholding (denoted by $\Theta$) based iterative procedure for outlier detection ($\Theta$-IPOD). A version based on hard thresholding correctly identifies outliers on some hard test problems. We find that $\Theta$-IPOD is much faster than iteratively reweighted least squares for large data because each iteration costs at most $O(np)$ (and sometimes much less) avoiding an $O(np^2)$ least squares estimate. We describe the connection between $\Theta$-IPOD and $M$-estimators. Our proposed method has one tuning parameter with which to both identify outliers and estimate regression coefficients. A data-dependent choice can be made based on BIC. The tuned $\Theta$-IPOD shows outstanding performance in identifying outliers in various situations in comparison to other existing approaches. This methodology extends to high-dimensional modeling with $p\gg n$, if both the coefficient vector and the outlier pattern are sparse

Broken-Symmetry Unrestricted Hybrid Density Functional Calculations on Nickel Dimer and Nickel Hydride

In the present work we investigate the adequacy of broken-symmetry unrestricted density functional theory (DFT) for constructing the potential energy curve of nickel dimer and nickel hydride, as a model for larger bare and hydrogenated nickel cluster calculations. We use three hybrid functionals: the popular B3LYP, Becke's newest optimized functional Becke98, and the simple FSLYP functional (50% Hartree-Fock and 50% Slater exchange and LYP gradient-corrected correlation functional) with two basis sets: all-electron (AE) Wachters+f basis set and Stuttgart RSC effective core potential (ECP) and basis set. We find that, overall, the best agreement with experiment, comparable to that of the high-level CASPT2, is obtained with B3LYP/AE, closely followed by Becke98/AE and Becke98/ECP. FSLYP/AE and B3LYP/ECP give slightly worse agreement with experiment, and FSLYP/ECP is the only method among the ones we studied that gives an unaceptably large error, underestimating the dissociation energy of nickel dimer by 28%, and being in the largest disagreement with the experiment and the other theoretical predictions.Comment: 17 pages, 7 tables, 7 figures; submitted to J. Chem. Phys.; Revtex4/LaTeX2e. v2 (8/5/04): New (and better) ECP results, without charge density fitting (which was found to give large errors). Subtracted the relativistic corrections from all experimental value

Looking westwards and worshipping: The New York 'Creative Revolution' and British advertising, 1956-1980

This article explores the ways in which developments associated with the ?creative revolution? in New York advertising in the 1950s and 1960s were imported into the United Kingdom, helping to reshape advertising practices in London. In locating the development of UK advertising within this history of commercial exchange, this article explores the modes of transmission and the material conduits through which innovations in advertising practice crossed the Atlantic. It also focuses on the role played by a distinctive 1960s formation of practitioners who used an organisation called the Design and Art Directors Association to champion the new idioms of US advertising. Their rise to influence helped to legitimate a new set of criteria for evaluating advertising which placed ?creativity? above ?research? and the ?science of selling? as the principal measure of good advertising. In exploring the exporting of the ?new advertising? to the United Kingdom, this article develops a particular understanding of how Anglo-American advertising relations worked to shape UK advertising practices. This foregrounds the way the US ?creative revolution?, like other forms of US advertising, was adapted, hybridised and indigenised in its importing to Britain. This article shows how the ?new advertising? pioneered in New York was reworked and combined with more local cultural influences. Out of this emerged distinctive styles of British advertising in the 1960s and 1970s

Modelling and analysis of switching DC-to-DC converters in constant-frequency current-programmed mode

An analysis of dc-to-dc switching converters in constant-frequency current-programmed continuous conduction mode is performed, and leads to two significant results. The first is that a ramp function, used to eliminate a potential instability, can be chosen uniquely to assure both stability and the fastest possible transient response of the programmed current. The second is the development of an extension of the state-space averaging technique by means of which both the input and output small-signal properties of any such converter may be accurately represented by a linear small-signal equivalent-circuit model. The model is presented and experimentally verified for the cuk converter and for the conventional buck, boost, and buck-boost converters. All models exhibit basically a one-pole control-to-output transfer function response

Charmed meson decay constants in three-flavor lattice QCD

We present the first lattice QCD calculation with realistic sea quark content of the D^+ meson decay constant f_{D^+}. We use the MILC Collaboration's publicly available ensembles of lattice gauge fields, which have a quark sea with two flavors (up and down) much lighter than a third (strange). We obtain f_{D^+} = 201 +/- 3 +/- 17 MeV, where the errors are statistical and a combination of systematic errors. We also obtain f_{D_s} = 249 +/- 3 +/- 16 MeV for the D_s meson.Comment: note added on recent CLEO measurement; PRL versio

Incorporation of a high potential quinone reveals that electron transfer in Photosystem I becomes highly asymmetric at low temperature

Photosystem I (PS I) has two nearly identical branches of electron-transfer co-factors. Based on point mutation studies, there is general agreement that both branches are active at ambient temperature but that the majority of electron-transfer events occur in the A-branch. At low temperature, reversible electron transfer between P700 and A1A occurs in the A-branch. However, it has been postulated that irreversible electron transfer from P700 through A1B to the terminal iron-sulfur clusters FA and FB occurs via the B-branch. Thus, to study the directionality of electron transfer at low temperature, electron transfer to the iron-sulfur clusters must be blocked. Because the geometries of the donor–acceptor radical pairs formed by electron transfer in the A- and B-branch differ, they have different spin-polarized EPR spectra and echo- modulation decay curves. Hence, time-resolved, multiple-frequency EPR spectroscopy, both in the direct-detection and pulse mode, can be used to probe the use of the two branches if electron transfer to the iron-sulfur clusters is blocked. Here, we use the PS I variant from the menB deletion mutant strain of Synechocyctis sp. PCC 6803, which is unable to synthesize phylloquinone, to incorporate 2,3-dichloro-1,4-naphthoquinone (Cl2NQ) into the A1A and A1B binding sites. The reduction midpoint potential of Cl2NQ is approximately 400 mV more positive than that of phylloquinone and is unable to transfer electrons to the iron-sulfur clusters. In contrast to previous studies, in which the iron-sulfur clusters were chemically reduced and/or point mutations were used to prevent electron transfer past the quinones, we find no evidence for radical-pair formation in the B-branch. The implications of this result for the directionality of electron transfer in PS I are discussed

Cuts and flows of cell complexes

We study the vector spaces and integer lattices of cuts and flows associated with an arbitrary finite CW complex, and their relationships to group invariants including the critical group of a complex. Our results extend to higher dimension the theory of cuts and flows in graphs, most notably the work of Bacher, de la Harpe and Nagnibeda. We construct explicit bases for the cut and flow spaces, interpret their coefficients topologically, and give sufficient conditions for them to be integral bases of the cut and flow lattices. Second, we determine the precise relationships between the discriminant groups of the cut and flow lattices and the higher critical and cocritical groups with error terms corresponding to torsion (co)homology. As an application, we generalize a result of Kotani and Sunada to give bounds for the complexity, girth, and connectivity of a complex in terms of Hermite's constant.Comment: 30 pages. Final version, to appear in Journal of Algebraic Combinatoric

A novel codon insert in protease of clade B HIV type 1.

A novel combination of three codon inserts in the pol coding region of HIV-1 RNA was identified in a highly antiretroviral experienced study subject with HIV-1 infection. A one codon insert was observed in the protease region between codon 40 and 41 simultaneously with a two codon insert present in the reverse transcriptase region at codon 69