L2L^2 Analysis of the Multi-Configuration Time-Dependent Hartree-Fock Equations

The multiconfiguration methods are widely used by quantum physicists and chemists for numerical approximation of the many electron Schr\"odinger equation. Recently, first mathematically rigorous results were obtained on the time-dependent models, e.g. short-in-time well-posedness in the Sobolev space $H^2$ for bounded interactions (C. Lubichand O. Koch} with initial data in $H^2$, in the energy space for Coulomb interactions with initial data in the same space (Trabelsi, Bardos et al.}, as well as global well-posedness under a sufficient condition on the energy of the initial data (Bardos et al.). The present contribution extends the analysis by setting an $L^2$ theory for the MCTDHF for general interactions including the Coulomb case. This kind of results is also the theoretical foundation of ad-hoc methods used in numerical calculation when modification ("regularization") of the density matrix destroys the conservation of energy property, but keeps invariant the mass.Comment: This work was supported by the Viennese Science Foundation (WWTF) via the project "TDDFT" (MA-45), the Austrian Science Foundation (FWF) via the Wissenschaftkolleg "Differential equations" (W17) and the START Project (Y-137-TEC) and the EU funded Marie Curie Early Stage Training Site DEASE (MEST-CT-2005-021122

Angles from B Decays with Charm: Summary of Working Group 5 of the CKM Workshop 2006

We summarize the results presented in Working Group 5 (WG5) of the CKM 2006 Workshop in Nagoya. The charge of WG5 was to discuss the measurements of unitarity triangle angles $\beta/\phi_1$ and $\gamma/\phi_3$ from $B$-meson decays containing charm quark(s) in the final states.Comment: 9 pages, 8 postscript figures, to appear in the proceedings of 4th International Workshop on the CKM Unitarity Triangle (CKM 2006), Nagoya, Japan, 12-16 Dec 200

Probabilistic reconstruction of genealogies for polyploid plant species

A probabilistic reconstruction of genealogies in a polyploid population (from 2x to 4x) is investigated, by considering genetic data analyzed as the probability of allele presence in a given genotype. Based on the likelihood of all possible crossbreeding patterns, our model enables to infer and to quantify the whole potential genealogies in the population. We explain in particular how to deal with the uncertain allelic multiplicity that may occur with polyploids. Then we build an ad hoc penalized likelihood to compare genealogies and to decide whether a particular individual brings a sufficient information to be included in the taken genealogy. This decision criterion enables us in a next part to suggest a greedy algorithm in order to explore missing links and to rebuild some connections in the genealogies, retrospectively. As a by-product, we also give a way to infer the individuals that may have been favored by breeders over the years. In the last part we highlight the results given by our model and our algorithm, firstly on a simulated population and then on a real population of rose bushes. Most of the methodology relies on the maximum likelihood principle and on the graph theory

Predictions of selected flavour observables within the Standard Model

This letter gathers a selection of Standard Model predictions issued from the metrology of the CKM parameters performed by the CKMfitter group. The selection includes purely leptonic decays of neutral and charged B, D and K mesons. In the light of the expected measurements from the LHCb experiment, a special attention is given to the radiative decay modes of B mesons as well as to the B-meson mixing observables, in particular the semileptonic charge asymmetries a^d,s_SL which have been recently investigated by the D0 experiment at Tevatron. Constraints arising from rare kaon decays are addressed, in light of both current results and expected performances of future rare kaon experiments. All results have been obtained with the CKMfitter analysis package, featuring the frequentist statistical approach and using Rfit to handle theoretical uncertainties.Comment: 8 pages, 1 figure, 2 tables. Typos corrected and discussion of agreement between SM and data update

Global-in-time existence of solutions to the multiconfiguration time-dependent Hartree–Fock equations: A sufficient condition

AbstractThe multiconfiguration time-dependent Hartree–Fock (MCTDHF for short) system is an approximation of the linear many-particle Schrödinger equation with a binary interaction potential by nonlinear “one-particle” equations. MCTDHF methods are widely used for numerical calculations of the dynamics of few-electron systems in quantum physics and quantum chemistry, but the time-dependent case still poses serious open problems for the analysis, e.g. in the sense that global-in-time existence of solutions is not proved yet. In this letter we present the first result ever where global existence is proved under a condition on the initial datum that it has to be somewhat close to the “ground state”

Block to granular-like transition in dense bubble flows

We have experimentally investigated 2-dimensional dense bubble flows underneath inclined planes. Velocity profiles and velocity fluctuations have been measured. A broad second-order phase transition between two dynamical regimes is observed as a function of the tilt angle $\theta$. For low $\theta$ values, a block motion is observed. For high $\theta$ values, the velocity profile becomes curved and a shear velocity gradient appears in the flow.Comment: Europhys. Lett. (2003) in pres

Deep Complex Networks

At present, the vast majority of building blocks, techniques, and architectures for deep learning are based on real-valued operations and representations. However, recent work on recurrent neural networks and older fundamental theoretical analysis suggests that complex numbers could have a richer representational capacity and could also facilitate noise-robust memory retrieval mechanisms. Despite their attractive properties and potential for opening up entirely new neural architectures, complex-valued deep neural networks have been marginalized due to the absence of the building blocks required to design such models. In this work, we provide the key atomic components for complex-valued deep neural networks and apply them to convolutional feed-forward networks and convolutional LSTMs. More precisely, we rely on complex convolutions and present algorithms for complex batch-normalization, complex weight initialization strategies for complex-valued neural nets and we use them in experiments with end-to-end training schemes. We demonstrate that such complex-valued models are competitive with their real-valued counterparts. We test deep complex models on several computer vision tasks, on music transcription using the MusicNet dataset and on Speech Spectrum Prediction using the TIMIT dataset. We achieve state-of-the-art performance on these audio-related tasks

Decreased Sialidase Activity in Alveolar Macrophages of Guinea Pigs Exposed to Coal Mine Dust

International audienceThe origin of immune dysfunctions that are observed in pneumoconiotic miners still remains unknown. There is evidence that the carbohydrate moiety of membrane glycoconjugates is of primary importance in many functions of immunocompetent cells. The glycosylation, and especially the sialylation level of membrane components of various lymphocyte and macrophage subsets, vary depending on the state of cellular differentiation and activation. Sialidases, which may regulate the amount of sialic acids exposed on the cell membrane, can thus be considered as immunoregulatory enzymes. In this report, the sialidase activity has been measured in alveolar macrophages (AM) and in cell-free bronchoalveolar lavage fluid (BALF) from guinea pigs exposed for 4 months to coal mine dust at a concentration of 300 mg/m3. The samples were collected by bronchoalveolar lavage 2 months after cessation of exposure. The sialidase activity in the cell-free fluid and in the purified alveolar macrophages showed a 10-fold decrease (p < 0.001). Kinetic parameters of the enzyme such as K(m) and optimum pH did not change. This changed activity was specific for sialidase, as two other lysosomal glycosidases, beta-galactosidase and N-acetylglucosaminidase, showed unchanged activities. These results suggest the possibility that, by inducing a decreased sialidase activity, exposure to coal mine dust may lead to a modified expression of AM membrane-associated sialic acids giving rise to altered immune functions (i. e., phagocytosis, antigen processing response to cytokines, etc.)

Efectos de los procesos de ahumado sobre el valor nutricional y la composición de ácidos grasos de la lucioperca (Sander lucioperca)

This study aimed to estimate the nutritional quality of Sander lucioperca fillets and alterations in lipid quality following hot and cold smoking processes. Our results revealed that the total fat content of zander fillets was 1.86 g/100g. Polyunsaturated fatty acids (PUFAs) were higher than saturated and monounsaturated fatty acids in fresh tissue samples. Arachidonic, docosahexaenoic and eicosapentaenoic acids were the most abundant PUFAs. Differences in the fatty acid compositions of the smoked and fresh fillet were significant, with a decrease in (PUFAs) in the proportion of total fatty acids. The fatty acid profile of the neutral lipids was unchanged after the cold smoking process, whereas PUFAs decreased significantly during both smoking processes, especially the hot smoking process. Our findings showed a partial alteration of polar lipids. Both smoking treatments produced lipoperoxidation and lipid oxidation in the fillets. Other investigational smoking conditions should be tested to reduce such oxidation and hydrolysis in fillets, which could be susceptible to off-flavors and off-odors.Este estudio tuvo como objetivo estimar la calidad nutricional de los filetes de lucioperca y las alteraciones en la calidad de los lípidos tras el proceso de ahumado en caliente y en frío. Nuestros resultados revelaron que el contenido total de grasa de los filetes de lucioperca fue de 1.86 g/100 g. Los ácidos grasos poliinsaturados (PUFA) fueron más altos que los ácidos grasos saturados y monoinsaturados en muestras de tejido fresco. Los ácidos grasos araquidónico, docosahexaenoico y eicosapentaenoico fueron los PUFA más abundantes. Las diferencias en la composición de ácidos grasos del filete ahumado y fresco fueron significativas, con una disminución de la proporción (PUFA) en los ácidos grasos totales. El perfil de ácidos grasos de los lípidos neutros se mantuvo sin cambios en el proceso de ahumado en frío, mientras que los PUFA disminuyeron significativamente durante ambos procesos de ahumado, especialmente en el proceso de ahumado en caliente. Nuestros resultados mostraron una alteración parcial de los lípidos polares. Ambos tratamientos de ahumado indicaron lipo-peroxidación y oxidación de lípidos en los filetes. Otras condiciones de ahumado se deben probar en investigación para reducir dicha oxidación e hidrólisis en los filetes, que podrían ser responsables de sabores y olores desagradables