Stability of graph communities across time scales

The complexity of biological, social and engineering networks makes it desirable to find natural partitions into communities that can act as simplified descriptions and provide insight into the structure and function of the overall system. Although community detection methods abound, there is a lack of consensus on how to quantify and rank the quality of partitions. We show here that the quality of a partition can be measured in terms of its stability, defined in terms of the clustered autocovariance of a Markov process taking place on the graph. Because the stability has an intrinsic dependence on time scales of the graph, it allows us to compare and rank partitions at each time and also to establish the time spans over which partitions are optimal. Hence the Markov time acts effectively as an intrinsic resolution parameter that establishes a hierarchy of increasingly coarser clusterings. Within our framework we can then provide a unifying view of several standard partitioning measures: modularity and normalized cut size can be interpreted as one-step time measures, whereas Fiedler's spectral clustering emerges at long times. We apply our method to characterize the relevance and persistence of partitions over time for constructive and real networks, including hierarchical graphs and social networks. We also obtain reduced descriptions for atomic level protein structures over different time scales.Comment: submitted; updated bibliography from v

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equation for neutral and ionic solutions, respectively. In the present work solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented to the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of a ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency, and allow for the treatment of different boundary conditions, as for example surface systems. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes

Variational bound on energy dissipation in turbulent shear flow

We present numerical solutions to the extended Doering-Constantin variational principle for upper bounds on the energy dissipation rate in plane Couette flow, bridging the entire range from low to asymptotically high Reynolds numbers. Our variational bound exhibits structure, namely a pronounced minimum at intermediate Reynolds numbers, and recovers the Busse bound in the asymptotic regime. The most notable feature is a bifurcation of the minimizing wavenumbers, giving rise to simple scaling of the optimized variational parameters, and of the upper bound, with the Reynolds number.Comment: 4 pages, RevTeX, 5 postscript figures are available as one .tar.gz file from [email protected]

Negative Quasi-Probability as a Resource for Quantum Computation

A central problem in quantum information is to determine the minimal physical resources that are required for quantum computational speedup and, in particular, for fault-tolerant quantum computation. We establish a remarkable connection between the potential for quantum speed-up and the onset of negative values in a distinguished quasi-probability representation, a discrete analog of the Wigner function for quantum systems of odd dimension. This connection allows us to resolve an open question on the existence of bound states for magic-state distillation: we prove that there exist mixed states outside the convex hull of stabilizer states that cannot be distilled to non-stabilizer target states using stabilizer operations. We also provide an efficient simulation protocol for Clifford circuits that extends to a large class of mixed states, including bound universal states.Comment: 15 pages v4: This is a major revision. In particular, we have added a new section detailing an explicit extension of the Gottesman-Knill simulation protocol to deal with positively represented states and measurement (even when these are non-stabilizer). This paper also includes significant elaboration on the two main results of the previous versio

High Frequency Cluster Radio Galaxies: Luminosity Functions and Implications for SZE Selected Cluster Samples

We study the overdensity of point sources in the direction of X-ray-selected galaxy clusters from the Meta-Catalog of X-ray detected Clusters of galaxies (MCXC; $\langle z \rangle = 0.14$) at South Pole Telescope (SPT) and Sydney University Molonglo Sky Survey (SUMSS) frequencies. Flux densities at 95, 150 and 220 GHz are extracted from the 2500 deg$^2$ SPT-SZ survey maps at the locations of SUMSS sources, producing a multi-frequency catalog of radio galaxies. In the direction of massive galaxy clusters, the radio galaxy flux densities at 95 and 150 GHz are biased low by the cluster Sunyaev-Zel'dovich Effect (SZE) signal, which is negative at these frequencies. We employ a cluster SZE model to remove the expected flux bias and then study these corrected source catalogs. We find that the high frequency radio galaxies are centrally concentrated within the clusters and that their luminosity functions (LFs) exhibit amplitudes that are characteristically an order of magnitude lower than the cluster LF at 843 MHz. We use the 150 GHz LF to estimate the impact of cluster radio galaxies on an SPT-SZ like survey. The radio galaxy flux typically produces a small bias on the SZE signal and has negligible impact on the observed scatter in the SZE mass-observable relation. If we assume there is no redshift evolution in the radio galaxy LF then $1.8\pm0.7$ percent of the clusters would be lost from the sample. Allowing for redshift evolution of the form $(1+z)^{2.5}$ increases the incompleteness to $5.6\pm1.0$ percent. Improved constraints on the evolution of the cluster radio galaxy LF require a larger cluster sample extending to higher redshift.Comment: Submitted to MNRA

Scalability of quantum computation with addressable optical lattices

We make a detailed analysis of error mechanisms, gate fidelity, and scalability of proposals for quantum computation with neutral atoms in addressable (large lattice constant) optical lattices. We have identified possible limits to the size of quantum computations, arising in 3D optical lattices from current limitations on the ability to perform single qubit gates in parallel and in 2D lattices from constraints on laser power. Our results suggest that 3D arrays as large as 100 x 100 x 100 sites (i.e., $\sim 10^6$ qubits) may be achievable, provided two-qubit gates can be performed with sufficiently high precision and degree of parallelizability. Parallelizability of long range interaction-based two-qubit gates is qualitatively compared to that of collisional gates. Different methods of performing single qubit gates are compared, and a lower bound of $1 \times 10^{-5}$ is determined on the error rate for the error mechanisms affecting $^{133}$Cs in a blue-detuned lattice with Raman transition-based single qubit gates, given reasonable limits on experimental parameters.Comment: 17 pages, 5 figures. Accepted for publication in Physical Review

Magnetic fields and Sunyaev-Zel'dovich effect in galaxy clusters

In this work we study the contribution of magnetic fields to the Sunyaev Zeldovich (SZ) effect in the intracluster medium. In particular we calculate the SZ angular power spectrum and the central temperature decrement. The effect of magnetic fields is included in the hydrostatic equilibrium equation by splitting the Lorentz force into two terms one being the force due to magnetic pressure which acts outwards and the other being magnetic tension which acts inwards. A perturbative approach is adopted to solve for the gas density profile for weak magnetic fields (< 4 micro G}). This leads to an enhancement of the gas density in the central regions for nearly radial magnetic field configurations. Previous works had considered the force due to magnetic pressure alone which is the case only for a special set of field configurations. However, we see that there exists possible sets of configurations of ICM magnetic fields where the force due to magnetic tension will dominate. Subsequently, this effect is extrapolated for typical field strengths (~ 10 micro G) and scaling arguments are used to estimate the angular power due to secondary anisotropies at cluster scales. In particular we find that it is possible to explain the excess power reported by CMB experiments like CBI, BIMA, ACBAR at l > 2000 with sigma_8 ~ 0.8 (WMAP 5 year data) for typical cluster magnetic fields. In addition we also see that the magnetic field effect on the SZ temperature decrement is more pronounced for low mass clusters ( ~ 2 keV). Future SZ detections of low mass clusters at few arc second resolution will be able to probe this effect more precisely. Thus, it will be instructive to explore the implications of this model in greater detail in future works.Comment: 20 pages, 8 figure

Detection of Enhancement in Number Densities of Background Galaxies due to Magnification by Massive Galaxy Clusters

We present a detection of the enhancement in the number densities of background galaxies induced from lensing magnification and use it to test the Sunyaev-Zel'dovich effect (SZE) inferred masses in a sample of 19 galaxy clusters with median redshift $z\simeq0.42$ selected from the South Pole Telescope SPT-SZ survey. Two background galaxy populations are selected for this study through their photometric colours; they have median redshifts ${z}_{\mathrm{median}}\simeq0.9$ (low-$z$ background) and ${z}_{\mathrm{median}}\simeq1.8$ (high-$z$ background). Stacking these populations, we detect the magnification bias effect at $3.3\sigma$ and $1.3\sigma$ for the low- and high-$z$ backgrounds, respectively. We fit NFW models simultaneously to all observed magnification bias profiles to estimate the multiplicative factor $\eta$ that describes the ratio of the weak lensing mass to the mass inferred from the SZE observable-mass relation. We further quantify systematic uncertainties in $\eta$ resulting from the photometric noise and bias, the cluster galaxy contamination and the estimations of the background properties. The resulting $\eta$ for the combined background populations with $1\sigma$ uncertainties is $0.83\pm0.24\mathrm{(stat)}\pm0.074\mathrm{(sys)}$, indicating good consistency between the lensing and the SZE-inferred masses. We use our best-fit $\eta$ to predict the weak lensing shear profiles and compare these predictions with observations, showing agreement between the magnification and shear mass constraints. This work demonstrates the promise of using the magnification as a complementary method to estimate cluster masses in large surveys.Comment: 16 pages, 10 figures, accepted for publication in MNRA

First-order nature of the ferromagnetic phase transition in (La-Ca)MnO_3 near optimal doping

Neutron scattering has been used to study the nature of the ferromagnetic transition in single crystals of La_0.7Ca_0.3MnO_3 and La_0.8Ca_0.2MnO_3, and polycrystalline samples of La_0.67Ca_0.33MnO_3 and La_5/8Ca_3/8MnO_3 where the naturally occurring O-16 can be replaced with the O-18 isotope. Small angle neutron scattering on the x=0.3 single crystal reveals a discontinuous change in the scattering at the Curie temperature for wave vectors below ~0.065 A^-1. Strong relaxation effects are observed for this domain scattering, for the magnetic order parameter, and for the quasielastic scattering, demonstrating that the transition is not continuous in nature. There is a large oxygen isotope effect observed for the T_C in the polycrystalline samples. For the optimally doped x=3/8 sample we observed T_C(O-16)=266.5 K and T_C(O-18)=261.5 K at 90% O-18 substitution. The temperature dependence of the spin-wave stiffness is found to be identical for the two samples despite changes in T_C. Hence, T_C is not solely determined by the magnetic subsystem, but instead the ferromagnetic phase is truncated by the formation of polarons which cause an abrupt transition to the paramagnetic, insulating state. Application of uniaxial stress in the x=0.3 single crystal sharply enhances the polaron scattering at room temperature. Measurements of the phonon density-of-states show only modest differences above and below T_C and between the two different isotopic samples.Comment: 13 pages, 16 figures, submitted to Phys. Rev.

The Rest-Frame Submillimeter Spectrum of High-Redshift, Dusty, Star-Forming Galaxies

We present the average rest-frame spectrum of high-redshift dusty, star-forming galaxies from 250-770GHz. This spectrum was constructed by stacking ALMA 3mm spectra of 22 such sources discovered by the South Pole Telescope and spanning z=2.0-5.7. In addition to multiple bright spectral features of 12CO, [CI], and H2O, we also detect several faint transitions of 13CO, HCN, HNC, HCO+, and CN, and use the observed line strengths to characterize the typical properties of the interstellar medium of these high-redshift starburst galaxies. We find that the 13CO brightness in these objects is comparable to that of the only other z>2 star-forming galaxy in which 13CO has been observed. We show that the emission from the high-critical density molecules HCN, HNC, HCO+, and CN is consistent with a warm, dense medium with T_kin ~ 55K and n_H2 >~ 10^5.5 cm^-3. High molecular hydrogen densities are required to reproduce the observed line ratios, and we demonstrate that alternatives to purely collisional excitation are unlikely to be significant for the bulk of these systems. We quantify the average emission from several species with no individually detected transitions, and find emission from the hydride CH and the linear molecule CCH for the first time at high redshift, indicating that these molecules may be powerful probes of interstellar chemistry in high-redshift systems. These observations represent the first constraints on many molecular species with rest-frame transitions from 0.4-1.2mm in star-forming systems at high redshift, and will be invaluable in making effective use of ALMA in full science operations.Comment: 19 pages, 10 figures (2 in appendices); accepted for publication in Ap