Closed-shell properties of 24^{24}O with {\em ab initio} coupled-cluster theory

We present an \emph{ab initio} calculation of spectroscopic factors for neutron and proton removal from $^{24}$O using the coupled-cluster method and a state-of-the-art chiral nucleon-nucleon interaction at next-to-next-to-next-to-leading order. In order to account for the coupling to the scattering continuum we use a Berggren single-particle basis that treats bound, resonant, and continuum states on an equal footing. We report neutron removal spectroscopic factors for the $^{23}$O states $J^{\pi} = 1/2^+$, $5/2^+$, $3/2^-$ and $1/2^-$, and proton removal spectroscopic factors for the $^{23}$N states $1/2^-$ and $3/2^-$. Our calculations support the accumulated experimental evidence that $^{24}$O is a closed-shell nucleus.Comment: 5 pages, 2 figures, 1 tabl

n-Channel Asymmetric Multiple-Description Lattice Vector Quantization

We present analytical expressions for optimal entropy-constrained multiple-description lattice vector quantizers which, under high-resolutions assumptions, minimize the expected distortion for given packet-loss probabilities. We consider the asymmetric case where packet-loss probabilities and side entropies are allowed to be unequal and find optimal quantizers for any number of descriptions in any dimension. We show that the normalized second moments of the side-quantizers are given by that of an $L$-dimensional sphere independent of the choice of lattices. Furthermore, we show that the optimal bit-distribution among the descriptions is not unique. In fact, within certain limits, bits can be arbitrarily distributed.Comment: To appear in the proceedings of the 2005 IEEE International Symposium on Information Theory, Adelaide, Australia, September 4-9, 200

Mapping Enzymatic Catalysis using the Effective Fragment Molecular Orbital Method: Towards all ab initio Biochemistry

We extend the Effective Fragment Molecular Orbital (EFMO) method to the frozen domain approach where only the geometry of an active part is optimized, while the many-body polarization effects are considered for the whole system. The new approach efficiently mapped out the entire reaction path of chorismate mutase in less than four days using 80 cores on 20 nodes, where the whole system containing 2398 atoms is treated in the ab initio fashion without using any force fields. The reaction path is constructed automatically with the only assumption of defining the reaction coordinate a priori. We determine the reaction barrier of chorismate mutase to be $18.3\pm 3.5$ kcal mol$^{-1}$ for MP2/cc-pVDZ and $19.3\pm 3.6$ for MP2/cc-pVTZ in an ONIOM approach using EFMO-RHF/6-31G(d) for the high and low layers, respectively.Comment: SI not attache

Perspectives on Bayesian Optimization for HCI

In this position paper we discuss optimization in the HCI domain based on our experiences with Bayesian methods for modeling and optimization of audio systems, including challenges related to evaluating, designing, and optimizing such interfaces. We outline and demonstrate how a combined Bayesian modeling and optimization approach provides a flexible framework for integrating various user and content attributes, while also supporting model-based optimization of HCI systems. Finally, we discuss current and future research direction and applications, such as inferring user needs and optimizing interfaces for computer assisted teaching

FGF10 signaling maintains the pancreatic progenitor cell state revealing a novel role of Notch in organ development

AbstractFGF10 plays an important role in the morphogenesis of several tissues by control of mesenchymal-to-epithelial signaling. In the pancreas, mesenchymal FGF10 is required to maintain the Pdx1-expressing epithelial progenitor cell population, and in the absence of FGF10 signaling, these cells fail to proliferate. Ectopic expression of FGF10 in the pancreatic epithelium caused increased proliferation of pancreatic progenitor cells and abrogation of pancreatic cell differentiation of all cell types. A hyperplastic pancreas consisting of undifferentiated cells expressing Pdx1, Nkx6.1, and cell adhesion markers normally characterizing early pancreatic progenitor cells resulted. Differentiation was attenuated even as proliferation of the pancreatic cells slowed during late gestation, suggesting that the trophic effect of FGF10 was independent of its effects upon cell differentiation. The FGF10-positive pancreatic cells expressed Notch1 and Notch2, the Notch-ligand genes Jagged1 and Jagged2, as well as the Notch target gene Hes1. This activation of Notch is distinct from the previously recognized mechanism of lateral inhibition. These data suggest that FGF10 signaling serves to integrate cell growth and terminal differentiation at the level of Notch activation, revealing a novel second role of this key signaling system during pancreatic development

Dimensions, Maximal Growth Sites and Optimization in the Dielectric Breakdown Model

We study the growth of fractal clusters in the Dielectric Breakdown Model (DBM) by means of iterated conformal mappings. In particular we investigate the fractal dimension and the maximal growth site (measured by the Hoelder exponent $\alpha_{min}$) as a function of the growth exponent $\eta$ of the DBM model. We do not find evidence for a phase transition from fractal to non-fractal growth for a finite $\eta$-value. Simultaneously, we observe that the limit of non-fractal growth ($D\to 1$) is consistent with $\alpha_{min} \to 1/2$. Finally, using an optimization principle, we give a recipe on how to estimate the effective value of $\eta$ from temporal growth data of fractal aggregates.Comment: 5 pages, 7 figures; v2: extra figures and new data adde