BELIEF PROPAGATION FOR OPTIMAL EDGE COVER IN THE RANDOM COMPLETE GRAPH

We apply the objective method of Aldous to the problem of finding the minimum-cost edge cover of the complete graph with random independent and identically distributed edge costs. The limit, as the number of vertices goes to infinity, of the expected minimum cost for this problem is known via a combinatorial approach of Hessler and Wastlund. We provide a proof of this result using the machinery of the objective method and local weak convergence, which was used to prove the (2) limit of the random assignment problem. A proof via the objective method is useful because it provides us with more information on the nature of the edge's incident on a typical root in the minimum-cost edge cover. We further show that a belief propagation algorithm converges asymptotically to the optimal solution. This can be applied in a computational linguistics problem of semantic projection. The belief propagation algorithm yields a near optimal solution with lesser complexity than the known best algorithms designed for optimality in worst-case settings.

On the Maximum Number of Linearly Independent Cycles and Paths in a Network

Central to network tomography is the problem of identifiability, the ability to identify internal network characteristics uniquely from end-to-end measurements. This problem is often underconstrained even when internal network characteristics such as link delays are modeled as additive constants. While it is known that the network topology can play a role in determining the extent of identifiability, there is a lack in the fundamental understanding of being able to quantify it for a given network. In this paper, we consider the problem of identifying additive link metrics in an arbitrary undirected network using measurement nodes and establishing paths/cycles between them. For a given placement of measurement nodes, we define and derive the ``link rank'' of the network-the maximum number of linearly independent cycles/paths that may be established between the measurement nodes. We achieve this in linear time. The link rank helps quantify the exact extent of identifiability in a network. We also develop a quadratic time algorithm to compute a set of cycles/paths that achieves the maximum rank.

CLAP: A web-server for automatic classification of proteins with special reference to multi-domain proteins

Background: The function of a protein can be deciphered with higher accuracy from its structure than from its amino acid sequence. Due to the huge gap in the available protein sequence and structural space, tools that can generate functionally homogeneous clusters using only the sequence information, hold great importance. For this, traditional alignment-based tools work well in most cases and clustering is performed on the basis of sequence similarity. But, in the case of multi-domain proteins, the alignment quality might be poor due to varied lengths of the proteins, domain shuffling or circular permutations. Multi-domain proteins are ubiquitous in nature, hence alignment-free tools, which overcome the shortcomings of alignment-based protein comparison methods, are required. Further, existing tools classify proteins using only domain-level information and hence miss out on the information encoded in the tethered regions or accessory domains. Our method, on the other hand, takes into account the full-length sequence of a protein, consolidating the complete sequence information to understand a given protein better. Results: Our web-server, CLAP (Classification of Proteins), is one such alignment-free software for automatic classification of protein sequences. It utilizes a pattern-matching algorithm that assigns local matching scores (LMS) to residues that are a part of the matched patterns between two sequences being compared. CLAP works on full-length sequences and does not require prior domain definitions. Pilot studies undertaken previously on protein kinases and immunoglobulins have shown that CLAP yields clusters, which have high functional and domain architectural similarity. Moreover, parsing at a statistically determined cut-off resulted in clusters that corroborated with the sub-family level classification of that particular domain family. Conclusions: CLAP is a useful protein-clustering tool, independent of domain assignment, domain order, sequence length and domain diversity. Our method can be used for any set of protein sequences, yielding functionally relevant clusters with high domain architectural homogeneity. The CLAP web server is freely available for academic use at http://nslab.mbu.iisc.ernet.in/clap/.

An interior penalty method for distributed optimal control problems governed by the biharmonic operator

In this paper, a C-0 interior penalty method has been proposed and analyzed for distributed optimal control problems governed by the biharmonic operator. The state and adjoint variables are discretized using continuous piecewise quadratic finite elements while the control variable is discretized using piecewise constant approximations. A priori and a posteriori error estimates are derived for the state, adjoint and control variables under minimal regularity assumptions. Numerical results justify the theoretical results obtained. The a posteriori error estimators are useful in adaptive finite element approximation and the numerical results indicate that the sharp error estimators work efficiently in guiding the mesh refinement. (C) 2014 Elsevier Ltd. All rights reserved.

CH-RES-TOCSY: Enantiomers spectral resolution and measurement of heteronuclear residual dipolar couplings

A new 2D NMR technique cited as CH-RES-TOCSY, for complete unraveling the spectra of enantiomers and for the measurement of structurally important C-HRDC sis reported. The spectral overlap and complexity of peaks were reduced by the blend of selective excitation and homo-decoupling. Differential values of C-H RDCs of enantiomers (R and S) are exploited to separate the enantiomeric peaks. The complete unraveling of the spectra of both the enantiomers is achieved by incorporating a TOCSY mixing blockprior to signal acquisition. The additional application of the method is demonstrated for the assignment of symmetric isomers. (C) 2015 Elsevier B.V. All rights reserved.

B-Spline potential function for maximum a-posteriori image reconstruction in fluorescence microscopy

An iterative image reconstruction technique employing B-Spline potential function in a Bayesian framework is proposed for fluorescence microscopy images. B-splines are piecewise polynomials with smooth transition, compact support and are the shortest polynomial splines. Incorporation of the B-spline potential function in the maximum-a-posteriori reconstruction technique resulted in improved contrast, enhanced resolution and substantial background reduction. The proposed technique is validated on simulated data as well as on the images acquired from fluorescence microscopes (widefield, confocal laser scanning fluorescence and super-resolution 4Pi microscopy). A comparative study of the proposed technique with the state-of-art maximum likelihood (ML) and maximum-a-posteriori (MAP) with quadratic potential function shows its superiority over the others. B-Spline MAP technique can find applications in several imaging modalities of fluorescence microscopy like selective plane illumination microscopy, localization microscopy and STED. (C) 2015 Author(s).

Identification of local variations within secondary structures of proteins

Secondary-structure elements (SSEs) play an important role in the folding of proteins. Identification of SSEs in proteins is a common problem in structural biology. A new method, ASSP (Assignment of Secondary Structure in Proteins), using only the path traversed by the C atoms has been developed. The algorithm is based on the premise that the protein structure can be divided into continuous or uniform stretches, which can be defined in terms of helical parameters, and depending on their values the stretches can be classified into different SSEs, namely -helices, 3(10)-helices, -helices, extended -strands and polyproline II (PPII) and other left-handed helices. The methodology was validated using an unbiased clustering of these parameters for a protein data set consisting of 1008 protein chains, which suggested that there are seven well defined clusters associated with different SSEs. Apart from -helices and extended -strands, 3(10)-helices and -helices were also found to occur in substantial numbers. ASSP was able to discriminate non--helical segments from flanking -helices, which were often identified as part of -helices by other algorithms. ASSP can also lead to the identification of novel SSEs. It is believed that ASSP could provide a better understanding of the finer nuances of protein secondary structure and could make an important contribution to the better understanding of comparatively less frequently occurring structural motifs. At the same time, it can contribute to the identification of novel SSEs. A standalone version of the program for the Linux as well as the Windows operating systems is freely downloadable and a web-server version is also available at .

Soft Real Time Implementation of a Cognitive Radio Testbed for Frequency Hopping Primary Satisfying QoS Requirements

The Cognitive Radio (CR) is a promising technology which provides a novel way to subjugate the issue of spectrum underutilization caused due to the fixed spectrum assignment policies. In this paper we report the design and implementation of a soft-real time CR MAC, consisting of multiple secondary users, in a frequency hopping (Fit) primary scenario. This MAC is capable of sensing the spectrum and dynamically allocating the available frequency bands to multiple CR users based on their QoS requirements. As the primary is continuously hopping, a method has also been implemented to detect the hop instant of the primary network. Synchronization usually requires real time support, however we have been able to achieve this with a soft-real time technique which enables a fully software implementation of CR MAC layer. We demonstrate the wireless transmission and reception of video over this CR testbed through opportunistic spectrum access. The experiments carried out use an open source software defined radio package called GNU Radio and a basic radio hardware component USRP.

De-DUFing the DUFs: Deciphering distant evolutionary relationships of Domains of Unknown Function using sensitive homology detection methods

Background: In the post-genomic era where sequences are being determined at a rapid rate, we are highly reliant on computational methods for their tentative biochemical characterization. The Pfam database currently contains 3,786 families corresponding to ``Domains of Unknown Function'' (DUF) or ``Uncharacterized Protein Family'' (UPF), of which 3,087 families have no reported three-dimensional structure, constituting almost one-fourth of the known protein families in search for both structure and function. Results: We applied a `computational structural genomics' approach using five state-of-the-art remote similarity detection methods to detect the relationship between uncharacterized DUFs and domain families of known structures. The association with a structural domain family could serve as a start point in elucidating the function of a DUF. Amongst these five methods, searches in SCOP-NrichD database have been applied for the first time. Predictions were classified into high, medium and low-confidence based on the consensus of results from various approaches and also annotated with enzyme and Gene ontology terms. 614 uncharacterized DUFs could be associated with a known structural domain, of which high confidence predictions, involving at least four methods, were made for 54 families. These structure-function relationships for the 614 DUF families can be accessed on-line at http://proline.biochem.iisc.ernet.in/RHD_DUFS/. For potential enzymes in this set, we assessed their compatibility with the associated fold and performed detailed structural and functional annotation by examining alignments and extent of conservation of functional residues. Detailed discussion is provided for interesting assignments for DUF3050, DUF1636, DUF1572, DUF2092 and DUF659. Conclusions: This study provides insights into the structure and potential function for nearly 20 % of the DUFs. Use of different computational approaches enables us to reliably recognize distant relationships, especially when they converge to a common assignment because the methods are often complementary. We observe that while pointers to the structural domain can offer the right clues to the function of a protein, recognition of its precise functional role is still `non-trivial' with many DUF domains conserving only some of the critical residues. It is not clear whether these are functional vestiges or instances involving alternate substrates and interacting partners. Reviewers: This article was reviewed by Drs Eugene Koonin, Frank Eisenhaber and Srikrishna Subramanian.

Effects of instabilities and coherent structures on the performance of a thermocline based thermal energy storage

We investigate the transient dynamics of disturbances inside a thermocline based molten salt thermal energy storage (TES). Numerical simulations were conducted with four inlet flow configurations. The disturbances introduced at the inlet grow via Rayleigh Taylor instability. The formed vortical motions inside the tank propagate downstream and destroy the thermocline. The vortex-thermocline interaction upsets the stratification inside the TES. The disturbance growth rate, penetration length and vortex Reynolds number are measured. The growth of penetration length prior to the vortex-thermocline interaction is quadratic. The vortex Reynolds number of the eddy which causes thermocline breakdown increases with increase in Atwood number. The impingement of vortex on thermocline is studied. (C) 2015 Elsevier Ltd. All rights reserved.

Real-time maximum a-posteriori image reconstruction for fluorescence microscopy

Rapid reconstruction of multidimensional image is crucial for enabling real-time 3D fluorescence imaging. This becomes a key factor for imaging rapidly occurring events in the cellular environment. To facilitate real-time imaging, we have developed a graphics processing unit (GPU) based real-time maximum a-posteriori (MAP) image reconstruction system. The parallel processing capability of GPU device that consists of a large number of tiny processing cores and the adaptability of image reconstruction algorithm to parallel processing (that employ multiple independent computing modules called threads) results in high temporal resolution. Moreover, the proposed quadratic potential based MAP algorithm effectively deconvolves the images as well as suppresses the noise. The multi-node multi-threaded GPU and the Compute Unified Device Architecture (CUDA) efficiently execute the iterative image reconstruction algorithm that is similar to 200-fold faster (for large dataset) when compared to existing CPU based systems. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.

Simultaneous acquisition of three NMR spectra in a single experiment for rapid resonance assignments in metabolomics

NMR-based approach to metabolomics typically involves the collection of two-dimensional (2D) heteronuclear correlation spectra for identification and assignment of metabolites. In case of spectral overlap, a 3D spectrum becomes necessary, which is hampered by slow data acquisition for achieving sufficient resolution. We describe here a method to simultaneously acquire three spectra (one 3D and two 2D) in a single data set, which is based on a combination of different fast data acquisition techniques such as G-matrix Fourier transform (GFT) NMR spectroscopy, parallel data acquisition and non-uniform sampling. The following spectra are acquired simultaneously: (1) C-13 multiplicity edited GFT (3,2)D HSQC-TOCSY, (2) 2D H-1- H-1] TOCSY and (3) 2D C-13- H-1] HETCOR. The spectra are obtained at high resolution and provide high-dimensional spectral information for resolving ambiguities. While the GFT spectrum has been shown previously to provide good resolution, the editing of spin systems based on their CH multiplicities further resolves the ambiguities for resonance assignments. The experiment is demonstrated on a mixture of 21 metabolites commonly observed in metabolomics. The spectra were acquired at natural abundance of C-13. This is the first application of a combination of three fast NMR methods for small molecules and opens up new avenues for high-throughput approaches for NMR-based metabolomics.

Digital image analysis around isotropic points for photoelastic pattern recognition

Fringe tracking and fringe order assignment have become the central topics of current research in digital photoelasticity. Isotropic points (IPs) appearing in low fringe order zones are often either overlooked or entirely missed in conventional as well as digital photoelasticity. We aim to highlight image processing for characterizing IPs in an isochromatic fringe field. By resorting to a global analytical solution of a circular disk, sensitivity of IPs to small changes in far-field loading on the disk is highlighted. A local theory supplements the global closed-form solutions of three-, four-, and six-point loading configurations of circular disk. The local theoretical concepts developed in this paper are demonstrated through digital image analysis of isochromatics in circular disks subjected to three-and four-point loads. (C) 2015 Society of Photo-Optical Instrumentation Engineers (SPIE)

QEP Based Solution for Power Allocation in Amplify and Forward Networks

The problem of cooperative beamforming for maximizing the achievable data rate of an energy constrained two-hop amplify-and-forward (AF) network is considered. Assuming perfect channel state information (CSI) of all the nodes, we evaluate the optimal scaling factor for the relay nodes. Along with individual power constraint on each of the relay nodes, we consider a weighted sum power constraint. The proposed iterative algorithm initially solves a set of relaxed problems with weighted sum power constraint and then updates the solution to accommodate individual constraints. These relaxed problems in turn are solved using a sequence of Quadratic Eigenvalue Problems (QEP). The key contribution of this letter is the generalization of cooperative beamforming to incorporate both the individual and weighted sum constraint. Furthermore, we have proposed a novel algorithm based on Quadratic Eigenvalue Problem (QEP) and discussed its convergence.

Role of upward leaders in modifying the induced currents in solitary down-conductors during a nearby lightning strike to ground

Electromagnetic field produced by a lightning strike to ground causes significant induction to tall objects in the vicinity. The frequency of occurrence of such nearby ground strikes can be higher than the number of direct strikes. Therefore, a complete knowledge on these induced currents is of practical relevance. However, limited efforts towards the characterisation of such induced currents in tall down-conductors could be seen in the literature. Due to the intensification of the background field caused by the descending stepped leader, tall towers/down-conductors can launch upward leaders of significant length. The nonlinearity in the conductance of upward leader and the surrounding corona sheath can alter the characteristics of the induced currents. Preliminary aspects of this phenomenon have been studied by the author previously and the present work aims to perform a detailed investigation on the role of upward leaders in modifying the characteristics of the induced currents. A consistent model for the upward leader, which covers all the essential electrical aspects of the phenomena, is employed. A first order arc model for representing the conductance of upward leader and a field dependant quadratic conductivity model for the corona sheath is employed. The initial gradient in the upward leader and the field produced by the return stroke forms the excitation. The dynamic electromagnetic response is determined by solving the wave equation using thin-wire time-domain formulation. Simulations are carried out initially to ascertain the role of individual parameters, including the length of the upward leader. Based on the simulation results, it is shown that the upward leader enhances the induced current, and when significant in length, can alter the waveshape of induced current from bipolar oscillatory to unipolar. The duration of the induced current is governed by the length of upward leader, which in turn is dependant on the return stroke current and the effective length of the down-conductor. If the current during the upward leader developmental phase is considered along with that after the stroke termination to ground, it would present a bipolar current pulse. (C) 2015 Elsevier Ltd. All rights reserved.