Search results for " Computer Science"
showing 10 items of 3983 documents
Force Field for Water over Pt(111): Development, Assessment, and Comparison
2018
Metal/water interfaces are key in many natural and industrial processes, such as corrosion, atmospheric, or environmental chemistry. Even today, the only practical approach to simulate large interfaces between a metal and water is to perform force-field simulations. In this work, we propose a novel force field, GAL17, to describe the interaction of water and a Pt(111) surface. GAL17 builds on three terms: (i) a standard Lennard-Jones potential for the bonding interaction between the surface and water, (ii) a Gaussian term to improve the surface corrugation, and (iii) two terms describing the angular dependence of the interaction energy. The 12 parameters of this force field are fitted again…
Efficient Linear-Scaling Density Functional Theory for Molecular Systems
2013
Despite recent progress in linear scaling (LS) density function theory (DFT), the computational cost of the existing LS methods remains too high for a widespread adoption at present. In this work, we exploit nonorthogonal localized molecular orbitals to develop a series of LS methods for molecular systems with a low computational overhead. High efficiency of the proposed methods is achieved with a new robust two-stage variational procedure or by replacing the optimization altogether with an accurate nonself-consistent approach. We demonstrate that, even for challenging condensed-phase systems, the implemented LS methods are capable of extending the range of accurate DFT simulations to molec…
Sourcing on the internet: Examining the relations among different phases of online inquiry
2021
This study examined students’ engagement in sourcing throughout online inquiry, that is, when they specified the information need, formulated search queries, evaluated online texts, and composed a written product. Participants were 167 upper secondary school students. Students completed an online inquiry task in a restricted online environment that utilized authentic online texts. Students’ prior topic knowledge and reading fluency was measured and controlled for in the analysis. The results showed that students engaged in sourcing even in the earliest phases of online inquiry. A sequential regression analysis indicated that the more frequently students engaged in sourcing in specifying the…
FMapper: Scalable read mapper based on succinct hash index on SunWay TaihuLight
2022
Abstract One of the most important application in bioinformatics is read mapping. With the rapidly increasing number of reads produced by next-generation sequencing (NGS) technology, there is a need for fast and efficient high-throughput read mappers. In this paper, we present FMapper – a highly scalable read mapper on the TaihuLight supercomputer optimized for its fourth-generation ShenWei many-core architecture (SW26010). In order to fully exploit the computational power of the SW26010, we employ dynamic scheduling of tasks, asynchronous I/O and data transfers and implement a vectorized version of the banded Myers algorithm tailored to the 256 bit vector registers of the SW26010. Our perf…
High Quality Reconstruction of Dynamic Objects using 2D-3D Camera Fusion
2017
International audience; In this paper, we propose a complete pipeline for high quality reconstruction of dynamic objects using 2D-3D camera setup attached to a moving vehicle. Starting from the segmented motion trajectories of individual objects, we compute their precise motion parameters, register multiple sparse point clouds to increase the density, and develop a smooth and textured surface from the dense (but scattered) point cloud. The success of our method relies on the proposed optimization framework for accurate motion estimation between two sparse point clouds. Our formulation for fusing it closest-point and it consensus based motion estimations, respectively in the absence and pres…
A coarse to fine 3D acquisition system
2015
International audience; The 3D chain (acquisition-processing-compression) is , most of the time , sequenced into several steps. Such approaches result into an one-dense acquisition of 3D points. In large scope of applications , the first processing step consists in simplifying the data. In this paper , we propose a coarse to fine acquisition system which permits to obtain simplified data directly from the acquisition. By calculating some complementary information from 2D images , such as 3D normals , multiple homogeneous regions will be segmented and affected to a given primitive class. Contrary to other studies , the whole process is not based on a mesh. The obtained model is simplified di…
Toward a real-time tracking of dense point-sampled geometry
2012
4 pages; International audience; In this paper, we address the problem of tracking temporal deformations between two arbitrary densely sampled point-based surfaces. We propose an intuitive and efficient resolution to the point matching problem within two frames of a sequence. The proposed method utilizes two distinct space partition trees, one for each point cloud, which both are defined on a unique discrete space. Our method takes advantage of multi-resolution concerns, voxel adjacency relations, and a specific distance function. Experimental results obtained from both simulated and real reconstructed data sets demonstrate that the proposed method can handle efficiently the tracking proces…
Semantic-based Technique for the Automation the 3D Reconstruction Process
2010
Pages: 191 to 198, ISBN: 978-1-61208-104-5; International audience; The reconstruction of 3D objects based on point clouds data presents a major task in many application field since it consumes time and require human interactions to yield a promising result. Robust and quick methods for complete object extraction or identification are still an ongoing research topic and suffer from the complex structure of the data, which cannot be sufficiently modeled by purely numerical strategies. Our work aims at defining a new way of automatically and intelligently processing of 3D point clouds from a 3D laser scanner. This processing is based on the combination of 3D processing technologies and Semant…
Localization of 2D Cameras in a Known Environment Using Direct 2D-3D Registration
2014
International audience; In this paper we propose a robust and direct 2D-to- 3D registration method for localizing 2D cameras in a known 3D environment. Although the 3D environment is known, localizing the cameras remains a challenging problem that is particularly undermined by the unknown 2D-3D correspondences, outliers, scale ambiguities and occlusions. Once the cameras are localized, the Structure-from-Motion reconstruction obtained from image correspondences is refined by means of a constrained nonlinear optimization that benefits from the knowledge of the scene. We also propose a common optimization framework for both localization and refinement steps in which projection errors in one v…
Formulations and exact algorithms for the distance-constrained generalized directed rural postman problem
2017
[EN] The generalized directed rural postman problem is an arc routing problem with many interesting real-life applications, such as routing for meter reading. In this application, a vehicle with a receiver travels through a series of neighborhoods. If the vehicle gets closer than a certain distance to a meter, the receiver is able to record the gas, water, or electricity consumption. Therefore, the vehicle does not need to traverse every street, but only a few, to get close enough to each meter. We study an extension of this problem in which a fleet of vehicles is available. Given the characteristics of the mentioned application, the vehicles have no capacities but there is a maximum distan…