204 research outputs found
Homophily and Contagion Are Generically Confounded in Observational Social Network Studies
We consider processes on social networks that can potentially involve three
factors: homophily, or the formation of social ties due to matching individual
traits; social contagion, also known as social influence; and the causal effect
of an individual's covariates on their behavior or other measurable responses.
We show that, generically, all of these are confounded with each other.
Distinguishing them from one another requires strong assumptions on the
parametrization of the social process or on the adequacy of the covariates used
(or both). In particular we demonstrate, with simple examples, that asymmetries
in regression coefficients cannot identify causal effects, and that very simple
models of imitation (a form of social contagion) can produce substantial
correlations between an individual's enduring traits and their choices, even
when there is no intrinsic affinity between them. We also suggest some possible
constructive responses to these results.Comment: 27 pages, 9 figures. V2: Revised in response to referees. V3: Ditt
The design of organic catalysis for epoxidation by hydrogen peroxide
The potential of various organic species to catalyze epoxidation of ethene by hydrogen peroxide is explored with B3LYP/6-31G* DFT calculations
The Extended Coupled Cluster Treatment of Correlations in Quantum Magnets
The spin-half XXZ model on the linear chain and the square lattice are
examined with the extended coupled cluster method (ECCM) of quantum many-body
theory. We are able to describe both the Ising-Heisenberg phase and the
XY-Heisenberg phase, starting from known wave functions in the Ising limit and
at the phase transition point between the XY-Heisenberg and ferromagnetic
phases, respectively, and by systematically incorporating correlations on top
of them. The ECCM yields good numerical results via a diagrammatic approach,
which makes the numerical implementation of higher-order truncation schemes
feasible. In particular, the best non-extrapolated coupled cluster result for
the sublattice magnetization is obtained, which indicates the employment of an
improved wave function. Furthermore, the ECCM finds the expected qualitatively
different behaviours of the linear chain and the square lattice cases.Comment: 22 pages, 3 tables, and 15 figure
Albany: Using Component-based Design to Develop a Flexible, Generic Multiphysics Analysis Code
Abstract:
Albany is a multiphysics code constructed by assembling a set of reusable, general components. It is an implicit, unstructured grid finite element code that hosts a set of advanced features that are readily combined within a single analysis run. Albany uses template-based generic programming methods to provide extensibility and flexibility; it employs a generic residual evaluation interface to support the easy addition and modification of physics. This interface is coupled to powerful automatic differentiation utilities that are used to implement efficient nonlinear solvers and preconditioners, and also to enable sensitivity analysis and embedded uncertainty quantification capabilities as part of the forward solve. The flexible application programming interfaces in Albany couple to two different adaptive mesh libraries; it internally employs generic integration machinery that supports tetrahedral, hexahedral, and hybrid meshes of user specified order. We present the overall design of Albany, and focus on the specifics of the integration of many of its advanced features. As Albany and the components that form it are openly available on the internet, it is our goal that the reader might find some of the design concepts useful in their own work. Albany results in a code that enables the rapid development of parallel, numerically efficient multiphysics software tools. In discussing the features and details of the integration of many of the components involved, we show the reader the wide variety of solution components that are available and what is possible when they are combined within a simulation capability.
Key Words: partial differential equations, finite element analysis, template-based generic programmin
A Dynamic Pathway for Calcium-Independent Activation of CaMKII by Methionine Oxidation
SummaryCalcium/calmodulin (Ca2+/CaM)-dependent protein kinase II (CaMKII) couples increases in cellular Ca2+ to fundamental responses in excitable cells. CaMKII was identified over 20 years ago by activation dependence on Ca2+/CaM, but recent evidence shows that CaMKII activity is also enhanced by pro-oxidant conditions. Here we show that oxidation of paired regulatory domain methionine residues sustains CaMKII activity in the absence of Ca2+/CaM. CaMKII is activated by angiotensin II (AngII)-induced oxidation, leading to apoptosis in cardiomyocytes both in vitro and in vivo. CaMKII oxidation is reversed by methionine sulfoxide reductase A (MsrA), and MsrA−/− mice show exaggerated CaMKII oxidation and myocardial apoptosis, impaired cardiac function, and increased mortality after myocardial infarction. Our data demonstrate a dynamic mechanism for CaMKII activation by oxidation and highlight the critical importance of oxidation-dependent CaMKII activation to AngII and ischemic myocardial apoptosis
LSST Science Book, Version 2.0
A survey that can cover the sky in optical bands over wide fields to faint
magnitudes with a fast cadence will enable many of the exciting science
opportunities of the next decade. The Large Synoptic Survey Telescope (LSST)
will have an effective aperture of 6.7 meters and an imaging camera with field
of view of 9.6 deg^2, and will be devoted to a ten-year imaging survey over
20,000 deg^2 south of +15 deg. Each pointing will be imaged 2000 times with
fifteen second exposures in six broad bands from 0.35 to 1.1 microns, to a
total point-source depth of r~27.5. The LSST Science Book describes the basic
parameters of the LSST hardware, software, and observing plans. The book
discusses educational and outreach opportunities, then goes on to describe a
broad range of science that LSST will revolutionize: mapping the inner and
outer Solar System, stellar populations in the Milky Way and nearby galaxies,
the structure of the Milky Way disk and halo and other objects in the Local
Volume, transient and variable objects both at low and high redshift, and the
properties of normal and active galaxies at low and high redshift. It then
turns to far-field cosmological topics, exploring properties of supernovae to
z~1, strong and weak lensing, the large-scale distribution of galaxies and
baryon oscillations, and how these different probes may be combined to
constrain cosmological models and the physics of dark energy.Comment: 596 pages. Also available at full resolution at
http://www.lsst.org/lsst/sciboo
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