The Degrees of Freedom of Partial Least Squares Regression

The derivation of statistical properties for Partial Least Squares regression can be a challenging task. The reason is that the construction of latent components from the predictor variables also depends on the response variable. While this typically leads to good performance and interpretable models in practice, it makes the statistical analysis more involved. In this work, we study the intrinsic complexity of Partial Least Squares Regression. Our contribution is an unbiased estimate of its Degrees of Freedom. It is defined as the trace of the first derivative of the fitted values, seen as a function of the response. We establish two equivalent representations that rely on the close connection of Partial Least Squares to matrix decompositions and Krylov subspace techniques. We show that the Degrees of Freedom depend on the collinearity of the predictor variables: The lower the collinearity is, the higher the Degrees of Freedom are. In particular, they are typically higher than the naive approach that defines the Degrees of Freedom as the number of components. Further, we illustrate how the Degrees of Freedom approach can be used for the comparison of different regression methods. In the experimental section, we show that our Degrees of Freedom estimate in combination with information criteria is useful for model selection.Comment: to appear in the Journal of the American Statistical Associatio

Bounds on R-parity violating supersymmetric couplings from leptonic and semi-leptonic meson decays

We present a comprehensive update of the bounds on R-Parity violating supersymmetric couplings from lepton-flavour- and lepton-number-violating decay processes. We consider tau and mu decays as well as leptonic and semi-leptonic decays of mesons. We present several new bounds resulting from tau, eta and Kaon decays and correct some results in the literature concerning B-meson decays.Comment: 30 pages; changed title, updated some bounds from the literature from different references, added reference

Description of non-specific DNA-protein interaction and facilitated diffusion with a dynamical model

We propose a dynamical model for non-specific DNA-protein interaction, which is based on the 'bead-spring' model previously developed by other groups, and investigate its properties using Brownian Dynamics simulations. We show that the model successfully reproduces some of the observed properties of real systems and predictions of kinetic models. For example, sampling of the DNA sequence by the protein proceeds via a succession of 3d motion in the solvent, 1d sliding along the sequence, short hops between neighboring sites, and intersegmental transfers. Moreover, facilitated diffusion takes place in a certain range of values of the protein effective charge, that is, the combination of 1d sliding and 3d motion leads to faster DNA sampling than pure 3d motion. At last, the number of base pairs visited during a sliding event is comparable to the values deduced from single-molecule experiments. We also point out and discuss some discrepancies between the predictions of this model and some recent experimental results as well as some hypotheses and predictions of kinetic models

TMDlib and TMDplotter: library and plotting tools for transverse-momentum-dependent parton distributions

Transverse-momentum-dependent distributions (TMDs) are central in high-energy physics from both theoretical and phenomenological points of view. In this manual we introduce the library, TMDlib, of fits and parameterisations for transverse-momentum-dependent parton distribution functions (TMD PDFs) and fragmentation functions (TMD FFs) together with an online plotting tool, TMDplotter. We provide a description of the program components and of the different physical frameworks the user can access via the available parameterisations.Comment: version 2, referring to TMDlib 1.0.2 - comments and references adde

Spin susceptibility of charge ordered YBa2Cu3Oy across the upper critical field

The value of the upper critical field Hc2, a fundamental characteristic of the superconducting state, has been subject to strong controversy in high-Tc copper-oxides. Since the issue has been tackled almost exclusively by macroscopic techniques so far, there is a clear need for local-probe measurements. Here, we use 17O NMR to measure the spin susceptibility $\chi_{spin}$ of the CuO2 planes at low temperature in charge ordered YBa2Cu3Oy. We find that $\chi_{spin}$ increases (most likely linearly) with magnetic field H and saturates above field values ranging from 20 to 40 T. This result is consistent with Hc2 values claimed by G. Grissonnanche et al. [Nat. Commun. 5, 3280 (2014)] and with the interpretation that the charge-density-wave (CDW) reduces Hc2 in underdoped YBa2Cu3Oy. Furthermore, the absence of marked deviation in $\chi_{spin}(H)$ at the onset of long-range CDW order indicates that this Hc2 reduction and the Fermi-surface reconstruction are primarily rooted in the short-range CDW order already present in zero field, not in the field-induced long-range CDWorder. Above Hc2, the relatively low values of $\chi_{spin}$ at T=2 K show that the pseudogap is a ground-state property, independent of the superconducting gap.Comment: To appea

Non-equilibrium hysteresis and spin relaxation in the mixed-anisotropy dipolar coupled spin-glass LiHo0.5_{0.5}Er0.5_{0.5}F4_{4}

We present a study of the model spin-glass LiHo$_{0.5}$Er$_{0.5}$F$_4$ using simultaneous AC susceptibility, magnetization and magnetocaloric effect measurements along with small angle neutron scattering (SANS) at sub-Kelvin temperatures. All measured bulk quantities reveal hysteretic behavior when the field is applied along the crystallographic c axis. Furthermore avalanche-like relaxation is observed in a static field after ramping from the zero-field-cooled state up to $200 - 300$ Oe. SANS measurements are employed to track the microscopic spin reconfiguration throughout both the hysteresis loop and the related relaxation. Comparing the SANS data to inhomogeneous mean-field calculations performed on a box of one million unit cells provides a real-space picture of the spin configuration. We discover that the avalanche is being driven by released Zeeman energy, which heats the sample and creates positive feedback, continuing the avalanche. The combination of SANS and mean-field simulations reveal that the conventional distribution of cluster sizes is replaced by one with a depletion of intermediate cluster sizes for much of the hysteresis loop.Comment: 6 pages, 4 figure

Dependence of the BEC transition temperature on interaction strength: a perturbative analysis

We compute the critical temperature T_c of a weakly interacting uniform Bose gas in the canonical ensemble, extending the criterion of condensation provided by the counting statistics for the uniform ideal gas. Using ordinary perturbation theory, we find in first order $(T_c-T_c^0)/T_c^0 = -0.93 a\rho^{1/3}$, where T_c^0 is the transition temperature of the corresponding ideal Bose gas, a is the scattering length, and $\rho$ is the particle number density.Comment: 14 pages (RevTeX

Statistical analysis of Ni nanowires breaking processes: a numerical simulation study

A statistical analysis of the breaking behavior of Ni nanowires is presented. Using molecular dynamic simulations, we have determined the time evolution of both the nanowire atomic structure and its minimum cross section (Sm(t)). Accumulating thousands of independent breaking events, Sm histograms are built and used to study the influence of the temperature, the crystalline stretching direction and the initial nanowire size. The proportion of monomers, dimers and more complex structures at the latest stages of the breaking process are calculated, finding important differences among results obtained for different nanowire orientations and sizes. Three main cases have been observed. (A) [111] stretching direction and large nanowire sizes: the wire evolves from more complex structures to monomers and dimers prior its rupture; well ordered structures is presented during the breaking process. (B) Large nanowires stretched along the [100] and [110] directions: the system mainly breaks from complex structures (low probability of finding monomers and dimers), having disordered regions during their breakage; at room temperature, a huge histogram peak around Sm=5 appears, showing the presence of long staggered pentagonal Ni wires with ...-5-1-5-... structure. (C) Initial wire size is small: strong size effects independently on the temperature and stretching direction. Finally, the local structure around monomers and dimmers do not depend on the stretching direction. These configurations differ from those usually chosen in static studies of conductance.Comment: 18 pages, 13 figure

Color-Octet Contributions to J/ψJ/\psi Photoproduction

We have calculated the leading color-octet contributions to the production of $J/\psi$ particles in photon-proton collisions. Using the values for the color-octet matrix elements extracted from fits to prompt $J/\psi$ data at the Tevatron, we demonstrate that distinctive color-octet signatures should be visible in $J/\psi$ photoproduction. However, these predictions appear at variance with recent experimental data obtained at HERA, indicating that the phenomenological importance of the color-octet contributions is smaller than expected from theoretical considerations and suggested by the Tevatron fits.Comment: 10 pages, LaTeX, epsfig, 4 figure

The Structure of the Vortex Liquid at the Surface of a Layered Superconductor

A density-functional approach is used to calculate the inhomogeneous vortex density distribution in the flux liquid phase at the planar surface of a layered superconductor, where the external magnetic field is perpendicular to the superconducting layers and parallel to the surface. The interactions with image vortices are treated within a mean field approximation as a functional of the vortex density. Near the freezing transition strong vortex density fluctuations are found to persist far into the bulk liquid. We also calculate the height of the Bean-Livingston surface barrier.Comment: 8 pages, RevTeX, 2 figure