Geometrization of metric boundary data for Einstein's equations

The principle part of Einstein equations in the harmonic gauge consists of a constrained system of 10 curved space wave equations for the components of the space-time metric. A well-posed initial boundary value problem based upon a new formulation of constraint-preserving boundary conditions of the Sommerfeld type has recently been established for such systems. In this paper these boundary conditions are recast in a geometric form. This serves as a first step toward their application to other metric formulations of Einstein's equations.Comment: Article to appear in Gen. Rel. Grav. volume in memory of Juergen Ehler

Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics.

Novel metabolites distinct from canonical pathways can be identified through the integration of three cheminformatics tools: BinVestigate, which queries the BinBase gas chromatography-mass spectrometry (GC-MS) metabolome database to match unknowns with biological metadata across over 110,000 samples; MS-DIAL 2.0, a software tool for chromatographic deconvolution of high-resolution GC-MS or liquid chromatography-mass spectrometry (LC-MS); and MS-FINDER 2.0, a structure-elucidation program that uses a combination of 14 metabolome databases in addition to an enzyme promiscuity library. We showcase our workflow by annotating N-methyl-uridine monophosphate (UMP), lysomonogalactosyl-monopalmitin, N-methylalanine, and two propofol derivatives

Initial data for fluid bodies in general relativity

We show that there exist asymptotically flat almost-smooth initial data for Einstein-perfect fluid's equation that represent an isolated liquid-type body. By liquid-type body we mean that the fluid energy density has compact support and takes a strictly positive constant value at its boundary. By almost-smooth we mean that all initial data fields are smooth everywhere on the initial hypersurface except at the body boundary, where tangential derivatives of any order are continuous at that boundary. PACS: 04.20.Ex, 04.40.Nr, 02.30.JrComment: 38 pages, LaTeX 2e, no figures. Accepted for publication in Phys. Rev.

On the propagation of jump discontinuities in relativistic cosmology

A recent dynamical formulation at derivative level \ptl^{3}g for fluid spacetime geometries $({\cal M}, {\bf g}, {\bf u})$, that employs the concept of evolution systems in first-order symmetric hyperbolic format, implies the existence in the Weyl curvature branch of a set of timelike characteristic 3-surfaces associated with propagation speed |v| = \sfrac{1}{2} relative to fluid-comoving observers. We show it is the physical role of the constraint equations to prevent realisation of jump discontinuities in the derivatives of the related initial data so that Weyl curvature modes propagating along these 3-surfaces cannot be activated. In addition we introduce a new, illustrative first-order symmetric hyperbolic evolution system at derivative level \ptl^{2}g for baryotropic perfect fluid cosmological models that are invariant under the transformations of an Abelian $G_{2}$ isometry group.Comment: 19 pages, 1 table, REVTeX v3.1 (10pt), submitted for publication to Physical Review D; added Report-No, corrected typo

How Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in Chemistry

Calculating the metabolome size of species by genome-guided reconstruction of metabolic pathways misses all products from orphan genes and from enzymes lacking annotated genes. Hence, metabolomes need to be determined experimentally. Annotations by mass spectrometry would greatly benefit if peer-reviewed public databases could be queried to compile target lists of structures that already have been reported for a given species. We detail current obstacles to compile such a knowledge base of metabolites.As an example, results are presented for rice. Two rice (oryza sativa) subspecies have been fully sequenced, oryza japonica and oryza indica. Several major small molecule databases were compared for listing known rice metabolites comprising PubChem, Chemical Abstracts, Beilstein, Patent databases, Dictionary of Natural Products, SetupX/BinBase, KNApSAcK DB, and finally those databases which were obtained by computational approaches, i.e. RiceCyc, KEGG, and Reactome. More than 5,000 small molecules were retrieved when searching these databases. Unfortunately, most often, genuine rice metabolites were retrieved together with non-metabolite database entries such as pesticides. Overlaps from database compound lists were very difficult to compare because structures were either not encoded in machine-readable format or because compound identifiers were not cross-referenced between databases.We conclude that present databases are not capable of comprehensively retrieving all known metabolites. Metabolome lists are yet mostly restricted to genome-reconstructed pathways. We suggest that providers of (bio)chemical databases enrich their database identifiers to PubChem IDs and InChIKeys to enable cross-database queries. In addition, peer-reviewed journal repositories need to mandate submission of structures and spectra in machine readable format to allow automated semantic annotation of articles containing chemical structures. Such changes in publication standards and database architectures will enable researchers to compile current knowledge about the metabolome of species, which may extend to derived information such as spectral libraries, organ-specific metabolites, and cross-study comparisons

Causal propagation of geometrical fields in relativistic cosmology

We employ the extended 1+3 orthonormal frame formalism for fluid spacetime geometries $({\cal M}, {\bf g}, {\bf u})$, which contains the Bianchi field equations for the Weyl curvature, to derive a 44-D evolution system of first-order symmetric hyperbolic form for a set of geometrically defined dynamical field variables. Describing the matter source fields phenomenologically in terms of a barotropic perfect fluid, the propagation velocities $v$ (with respect to matter-comoving observers that Fermi-propagate their spatial reference frames) of disturbances in the matter and the gravitational field, represented as wavefronts by the characteristic 3-surfaces of the system, are obtained. In particular, the Weyl curvature is found to account for two (non-Lorentz-invariant) Coulomb-like characteristic eigenfields propagating with $v = 0$ and four transverse characteristic eigenfields propagating with $|v| = 1$, which are well known, and four (non-Lorentz-invariant) longitudinal characteristic eigenfields propagating with |v| = \sfrac{1}{2}. The implications of this result are discussed in some detail and a parallel is drawn to the propagation of irregularities in the matter distribution. In a worked example, we specialise the equations to cosmological models in locally rotationally symmetric class II and include the constraints into the set of causally propagating dynamical variables.Comment: 25 pages, RevTeX (10pt), accepted for publication by Physical Review

Transfer learning for galaxy morphology from one survey to another

© 2018 The Author(s). Published by Oxford University Press on behalf of the Royal Astronomical Society.Deep Learning (DL) algorithms for morphological classification of galaxies have proven very successful, mimicking (or even improving) visual classifications. However, these algorithms rely on large training samples of labelled galaxies (typically thousands of them). A key question for using DL classifications in future Big Data surveys is how much of the knowledge acquired from an existing survey can be exported to a new dataset, i.e. if the features learned by the machines are meaningful for different data. We test the performance of DL models, trained with Sloan Digital Sky Survey (SDSS) data, on Dark Energy survey (DES) using images for a sample of $\sim$5000 galaxies with a similar redshift distribution to SDSS. Applying the models directly to DES data provides a reasonable global accuracy ($\sim$ 90%), but small completeness and purity values. A fast domain adaptation step, consisting in a further training with a small DES sample of galaxies ($\sim$500-300), is enough for obtaining an accuracy > 95% and a significant improvement in the completeness and purity values. This demonstrates that, once trained with a particular dataset, machines can quickly adapt to new instrument characteristics (e.g., PSF, seeing, depth), reducing by almost one order of magnitude the necessary training sample for morphological classification. Redshift evolution effects or significant depth differences are not taken into account in this study.Peer reviewedFinal Accepted Versio

Collective modes in the electronic polarization of double-layer systems in the superconducting state

Standard weak coupling methods are used to study collective modes in the superconducting state of a double-layer system with intralayer and interlayer interaction, as well as a Josephson-type coupling and single particle hopping between the layers by calculating the electronic polarization function perpendicular to the layers. New analytical results are derived for the mode frequencies corresponding to fluctuations of the relative phase and amplitude of the layer order parameters in the case of interlayer pairing and finite hopping $t$. A new effect is found for finite $k$-dependent hopping: then the amplitude and phase fluctuations are coupled. Therefore two collective modes may appear in the dynamical c-axis conductivity below the threshold energy for breaking Cooper pairs. With help of numerical calculations we investigate the temperature dependence of the collective modes and show how a plasmon corresponding to charge fluctuations between the layers evolves in the normal state.Comment: 17 pages, latex, 8 ps figure