Search results for "COMPUTATION"
showing 10 items of 7362 documents
About Vertex Mappings
2019
Summary In [6] partial graph mappings were formalized in the Mizar system [3]. Such mappings map some vertices and edges of a graph to another while preserving adjacency. While this general approach is appropriate for the general form of (multidi)graphs as introduced in [7], a more specialized version for graphs without parallel edges seems convenient. As such, partial vertex mappings preserving adjacency between the mapped verticed are formalized here.
CUDA-BLASTP: Accelerating BLASTP on CUDA-enabled graphics hardware
2011
Scanning protein sequence database is an often repeated task in computational biology and bioinformatics. However, scanning large protein databases, such as GenBank, with popular tools such as BLASTP requires long runtimes on sequential architectures. Due to the continuing rapid growth of sequence databases, there is a high demand to accelerate this task. In this paper, we demonstrate how GPUs, powered by the Compute Unified Device Architecture (CUDA), can be used as an efficient computational platform to accelerate the BLASTP algorithm. In order to exploit the GPU's capabilities for accelerating BLASTP, we have used a compressed deterministic finite state automaton for hit detection as wel…
Modeling and Mitigating Errors in Belief Propagation for Distributed Detection
2021
We study the behavior of the belief-propagation (BP) algorithm affected by erroneous data exchange in a wireless sensor network (WSN). The WSN conducts a distributed multidimensional hypothesis test over binary random variables. The joint statistical behavior of the sensor observations is modeled by a Markov random field whose parameters are used to build the BP messages exchanged between the sensing nodes. Through linearization of the BP message-update rule, we analyze the behavior of the resulting erroneous decision variables and derive closed-form relationships that describe the impact of stochastic errors on the performance of the BP algorithm. We then develop a decentralized distribute…
Rearrangements of 1,2,4-Oxadiazole: “One Ring to Rule Them All”
2017
[Figure not available: see fulltext.] 1,2,4-Oxadiazoles are heterocycles characterized by low aromaticity and the presence of a weak OâN bond and are widely studied due to their tendency to rearrange into more stable heterocyclic compounds. This review covers literature from the last fifteen years, highlighting the general features of 1,2,4-oxadiazoles and their applications. Regarding the reactivity, the development of classical reactions (thermal and photochemical rearrangements) is presented in terms of synthetic utility and mechanistic insight. Among the relevant rearrangement reactions, the BoultonâKatritzky Rearrangement (BKR), Migration â Nucleophilic Attack â Cyclization (MN…
A Computational Study of Adsorption of CO2, SO2, and H2CO on Free-Standing and Molybdenum-Supported CaO Films
2018
Oxide films play a significant role in a wide range of fields from catalysis to solar cell materials. CaO films are promising sorbents for many environmentally harmful molecules. Here, we report a systematic investigation of adsorption of CO2, SO2, and H2CO on bulk and Mo-supported CaO(100) films using density functional theory. Significant effects on adsorption energy, charge transfer to the molecules, and degree of the C–O bond activation were demonstrated on Mo-supported CaO films by changing the film thickness, composition, and the strength and direction of an applied external electric field. These findings are relevant for interpreting results from scanning tunneling microscopy of smal…
Comment on “Crystallographic Snapshot of an Arrested Intermediate in the Biomimetic Activation of CO2”
2015
Out of focus: A recent Communication published in this journal describes the synthesis of [nBu4 N]HCO3 . The authors performed a single-crystal X-ray study that revealed a putative species described as an incipient hydroxide ion engaging in a long, and presumably weak, interaction with CO2 . Our recent exploration of the coordination chemistry of CO2 with small ions leads us to believe that such an exceptional bonding situation is unlikely. Instead, we argue that the crystal structure is that of [nBu4 N]O2 CCH3 and therefore not representative of the bulk powder from the synthesis.
A Computational Study of Adsorption of CO2, SO2, and H2CO on Free-Standing and Molybdenum-Supported CaO Films
2019
Oxide films play a significant role in a wide range of fields from catalysis to solar cell materials. CaO films are promising sorbents for many environmentally harmful molecules. Here, we report a systematic investigation of adsorption of CO2, SO2, and H2CO on bulk and Mo-supported CaO(100) films using density functional theory. Significant effects on adsorption energy, charge transfer to the molecules, and degree of the C−O bond activation were demonstrated on Mo-supported CaO films by changing the film thickness, composition, and the strength and direction of an applied external electric field. These findings are relevant for interpreting results from scanning tunneling microscopy of smal…
easyPAC: A Tool for Fast Prediction, Testing and Reference Mapping of Degenerate PCR Primers from Alignments or Consensus Sequences
2012
Video abstract A video abstract by the authors of this paper is available. video-abstract8870.mov
Time Unification on Local Binary Patterns Three Orthogonal Planes for Facial Expression Recognition
2019
International audience; Machine learning has known a tremendous growth within the last years, and lately, thanks to that, some computer vision algorithms started to access what is difficult or even impossible to perceive by the human eye. While deep learning based computer vision algorithms have made themselves more and more present in the recent years, more classical feature extraction methods, such as the ones based on Local Binary Patterns (LBP), still present a non negligible interest, especially when dealing with small datasets. Furthermore, this operator has proven to be quite useful for facial emotions and human gestures recognition in general. Micro-Expression (ME) classification is…
Vesiclepedia:A Compendium for Extracellular Vesicles with Continuous Community Annotation
2012
Vesiclepedia is a community-annotated compendium of molecular data on extracellular vesicles.