Morphological filtering on hypergraphs

The focus of this article is to develop computationally efficient mathematical morphology operators on hypergraphs. To this aim we consider lattice structures on hypergraphs on which we build morphological operators. We develop a pair of dual adjunctions between the vertex set and the hyper edge set of a hypergraph H, by defining a vertex-hyperedge correspondence. This allows us to recover the classical notion of a dilation/erosion of a subset of vertices and to extend it to subhypergraphs of H. Afterward, we propose several new openings, closings, granulometries and alternate sequential filters acting (i) on the subsets of the vertex and hyperedge set of H and (ii) on the subhypergraphs of a hypergraph

Grey Level Co-Occurrence Matrices: Generalisation And Some New Features

Grey Level Co-occurrence Matrices (GLCM) are one of the earliest techniques used for image texture analysis. In this paper we defined a new feature called trace extracted from the GLCM and its implications in texture analysis are discussed in the context of Content Based Image Retrieval (CBIR). The theoretical extension of GLCM to n-dimensional gray scale images are also discussed. The results indicate that trace features outperform Haralick features when applied to CBIR.Cochin University of Science and TechnologyInternational Journal of Computer Science, Engineering and Information Technology (IJCSEIT), Vol.2, No.2, April 201

An automated framework for NMR chemical shift calculations of small organic molecules

When using nuclear magnetic resonance (NMR) to assist in chemical identification in complex samples, researchers commonly rely on databases for chemical shift spectra. However, authentic standards are typically depended upon to build libraries experimentally. Considering complex biological samples, such as blood and soil, the entirety of NMR spectra required for all possible compounds would be infeasible to ascertain due to limitations of available standards and experimental processing time. As an alternative, we introduce the in silico Chemical Library Engine (ISiCLE) NMR chemical shift module to accurately and automatically calculate NMR chemical shifts of small organic molecules through use of quantum chemical calculations. ISiCLE performs density functional theory (DFT)-based calculations for predicting chemical properties—specifically NMR chemical shifts in this manuscript—via the open source, high-performance computational chemistry software, NWChem. ISiCLE calculates the NMR chemical shifts of sets of molecules using any available combination of DFT method, solvent, and NMR-active nuclei, using both user-selected reference compounds and/or linear regression methods. Calculated NMR chemical shifts are provided to the user for each molecule, along with comparisons with respect to a number of metrics commonly used in the literature. Here, we demonstrate ISiCLE using a set of 312 molecules, ranging in size up to 90 carbon atoms. For each, calculation of NMR chemical shifts have been performed with 8 different levels of DFT theory, and with solvation effects using the implicit solvent Conductor-like Screening Model. The DFT method dependence of the calculated chemical shifts have been systematically investigated through benchmarking and subsequently compared to experimental data available in the literature. Furthermore, ISiCLE has been applied to a set of 80 methylcyclohexane conformers, combined via Boltzmann weighting and compared to experimental values. We demonstrate that our protocol shows promise in the automation of chemical shift calculations and, ultimately, the expansion of chemical shift libraries

ILC Reference Design Report Volume 1 - Executive Summary

The International Linear Collider (ILC) is a 200-500 GeV center-of-mass high-luminosity linear electron-positron collider, based on 1.3 GHz superconducting radio-frequency (SCRF) accelerating cavities. The ILC has a total footprint of about 31 km and is designed for a peak luminosity of 2x10^34 cm^-2s^-1. This report is the Executive Summary (Volume I) of the four volume Reference Design Report. It gives an overview of the physics at the ILC, the accelerator design and value estimate, the detector concepts, and the next steps towards project realization.The International Linear Collider (ILC) is a 200-500 GeV center-of-mass high-luminosity linear electron-positron collider, based on 1.3 GHz superconducting radio-frequency (SCRF) accelerating cavities. The ILC has a total footprint of about 31 km and is designed for a peak luminosity of 2x10^34 cm^-2s^-1. This report is the Executive Summary (Volume I) of the four volume Reference Design Report. It gives an overview of the physics at the ILC, the accelerator design and value estimate, the detector concepts, and the next steps towards project realization