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40th ACM/IEEE International Conference on Software Engineering, ICSE 2018

作者： Huang, Yuan Jia, Nan Zhou, Qiang Chen, Xiangping Xiong, Yingfei Luo, Xiaonan Sun Yat-sen University Guangzhou GuangDong China Hebei GEO University Shijiazhuang HeBei China Peking University Haidian Qu Beijing China

ISBN: (纸本)9781450356633

Code commenting is a common programming practice of practical importance to help developers review and comprehend source code. However, there is a lack of thorough specifications to help developers make their commenting decisions in current practice. To reduce the effort of making commenting decisions, we propose a novel method, CommentSuggester, to guide developers regarding appropriate commenting locations in the source code. We extract context information of source code and employ machine learning techniques to identify possible commenting locations in the source code. The encouraging experimental results demonstrated the feasibility and effectiveness of our commenting suggestion method. © 2018 Authors.

关键词： computer programming languages

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Hindered rotation and nuclear spin isomers separation of molecularly chemisorbed H₂ on Pd(210)

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JOURNAL OF APPLIED PHYSICS 2018年第11期123卷 115301-115301页

作者： Arguelles, Elvis F. Kasai, Hideaki Osaka Univ Dept Appl Phys Suita Osaka 5650871 Japan Akashi Coll Natl Inst Technol Akashi Hyogo 6748501 Japan Osaka Univ Grad Sch Engn Suita Osaka 5650871 Japan

We investigated the hindered rotation and nuclear spin isomer separation of H-2 on Pd(210) for various pre-adsorbed atomic hydrogen coverages (Theta), by total energy calculations based on density functional theory. Our results revealed that H-2 is in the molecularly chemisorbed state and the adsorption is characterized by a highly anisotropic potential energy surface. Further, we found that J = 1 degenerate level splitting is insensitive to the increase in Theta from 1 to 2 ML. This is due to the comparable potential strengths hindering/restricting the polar rotations in both coverages. On a fully H passivated (3 ML) Pd(210), H-2 is in a weakly physisorbed state with a negligible potential anisotropy. Our findings suggest that the activation barrier for polar rotational motion does not strongly depend on the adsorption energy but rather on the surface-molecule bond. The estimated rotational state desorption energies show a separation of ortho and para isomers by around 7.0 meV. Published by AIP Publishing.

关键词： computer programming languages Coverage total energy isomers Adsorption energy Nuclear spin density functional theory

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Automated Approach for Construction of Long-Term, Data-Intensive Watershed Models

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JOURNAL OF COMPUTING IN CIVIL ENGINEERING 2018年第4期32卷 6018001.1-6018001.1页

作者： Lampert, David J. Wu, May Oklahoma State Univ Sch Civil & Environm Engn 207 Engn S Stillwater OK 74078 USA Argonne Natl Lab Energy Syst Div 9700 South Cass AveBldg 362 Argonne IL 60439 USA

Watershed models such as the Hydrological Simulation Program in FORTRAN (HSPF) are frequently used to analyze large-scale water quantity and water quality issues. The construction of HSPF models is a difficult and time-consuming process, because it requires compilation of extensive quantities of data into formatted files followed by a simultaneous fitting of many uncertain parameters. Because of these complications, studies are often limited to calibration periods of only a few years even when analyzing long time-scale issues such as climate and land-use changes that are difficult or impossible to reproduce. High-level, open source programming languages provide an environment for automating the extraction and processing of various sources of data in addition to the calibration process required by HSPF. Recently developed software can be used to build HSPF input files, run simulations, and postprocess simulation results using the Python programming language. The combination of tools in Python, public data sets on the Internet, and software extensions enables rapid development of long-term, reproducible, and sophisticated models for new hydrologic insight. Herein, the utility of these tools is illustrated by developing an automated 30-year HSPF model with a Nash-Sutcliffe efficiency of 0.88 for monthly flows and 0.75 for daily flows in a simulation time of approximately 3h. The integration of HSPF with a high-level programming language creates opportunities to more rigorously explore model assumptions, calibration methods, and alternative data sets.

关键词： computer programming languages Python Automation Pythonidae water quantity high-level programming languages emulator program simulating Watershed Models Data sources Collected papers

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Using Hands-On Physical Computing Projects to Teach computer programming to Biomedical Engineering Students

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JOURNAL OF BIOMECHANICAL ENGINEERING-TRANSACTIONS OF THE ASME 2018年第8期140卷 081007-081007页

作者： Ham, Trevor Rezvanifar, S. Cyrus Thomas, Vineet S. Amini, Rouzbeh Univ Akron Dept Biomed Engn Akron OH 44325 USA

Rapid advancements in the multidisciplinary field of biomedical engineering (BME) require competitive engineers with skill sets in a broad range of subjects including biology, physiology, mechanics, circuits, and programming. Accordingly, such a need should be reflected in the training of BME students. Among those skills, computer programming is an essential tool that is used in a wide variety of applications. in this paper, we have provided our experience in incorporating project-based learning, a promising approach in active learning, for teaching computer programming to BME students. We describe a low-cost method for using physical, hands-on computing that directly relates to BME. Additionally, we detail our efforts to teach multiple programming languages in one semester and provide a detailed analysis of the outcomes. We also provide basic materials for other instructors to adapt to fit their own needs.

关键词： Biomedical engineering Students computer programming Matlab Springs computer programming languages

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A multiscale FEA framework for bridging cell-wall to tissue-scale mechanical properties: the contributions of middle lamella interface and cell shape

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JOURNAL OF MATERIALS SCIENCE 2017年第13期52卷 7947-7968页

作者： Zamil, M. Shafayet Yi, Hojae Puri, Virendra M. Penn State Univ Dept Agr & Biol Engn University Pk PA 16802 USA McGill Univ Montreal PQ Canada

Plant tissue represents cellular material with multiple structural hierarchies enabling a wide range of multifunctionalities and extraordinary mechanical properties. However, it is yet to be elucidated how subcellular-scale mechanical properties and cell-to-cell interactions by a middle lamella (ML) layer are translated to larger scale responses. In this study, we examined an onion epidermal cell wall profile as a representative multicellular material system and developed a novel framework for a multiscale finite element analysis (FEA) model that allows two-scale coupling in a commercial FEA package. The core of this multiscale approach is a 3D repetitive volume element (RVE), which is composed of four cell wall fragments from four adjacent cells attached by a distinct ML layer. We parameterized ML mechanical properties and cell shape anisotropy at RVE to investigate resulting mechanical responses, which were then scaled up to the tissue level. It was observed that, within the elastic limit, the RVE- and tissue-scale mechanical responses are barely affected by ML modulus value;however, they are moderately affected by cell shape factor. The detailed 3D feature of ML interface was found critical for creating anisotropic mechanical behavior and localized stress concentration at RVE scale. Based on the observed results, a soft nanoscopic ML layer with its specified 3D architecture was suggested as the key mediator for attributing multifunctionality in plant cellular material system. The reported computational model framework offers new insight into how different length scales may affect the material properties of multicellular materials exhibiting hierarchical multiscale structures.

关键词： Plant tissue computer programming languages Cell wall Cell interactions Finite element method Stress concentration tissue level Material properties Mechanical properties Cell Shape

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Submonolayer adsorption of Na onto the Cu(110) surface: Structure and vibrational properties

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JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS 2017年第2期125卷 278-289页

作者： Rusina, G. G. Borisova, S. D. Chulkov, E. V. Russian Acad Sci Siberian Branch Inst Strength Phys & Mat Sci Akad Pr 2-4 Tomsk 634021 Russia Tomsk State Univ Pr Lenina 36 Tomsk 634050 Russia St Petersburg State Univ St Petersburg 198504 Russia Dept Fis Mat San Sebastian 20080 Spain

The submonolayer adsorption of Na onto the Cu(110) surface is studied. At small Na coverages (Iy = 0.16-0.25 ML), the substrate surface subjected to missing-row reconstruction (1 x 2) is shown to be most stable dynamically. When the coverage increases to Iy = 0.5 ML, the unreconstructed substrate surface with a c(2 x 2) sodium adlayer becomes dynamically stable. For an analysis, we used data on the equilibrium atomic configuration, the adsorption energy, the phonon spectra, the local density of phonon states, and the polarization of localized vibrational modes. All calculations were performed using the interatomic potentials obtained in terms of the embedded-atom method. The calculated frequencies of localized vibrational modes agree well with the existing experimental data.

关键词： Coverage Adsorption vibrational properties Interatomic potential Density of states computer programming languages Surjective surface structure Substrate surface Polarization Experimental data phonon spectra Vibrations modes Adsorption energy

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Cs and Cs/O adsorption mechanism on GaN nanowires photocathode

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JOURNAL OF MATERIALS SCIENCE 2017年第10期52卷 5661-5671页

作者： Xia, Sihao Liu, Lei Diao, Yu Kong, Yike Nanjing Univ Sci & Technol Sch Elect & Opt Engn Dept Optoelect Technol Nanjing 210094 Jiangsu Peoples R China

We have investigated the stability and electronic properties of GaN nanowires photocathode based on first-principle calculations. The most stable adsorption configuration of Cs adatoms on the (001) surface of [001]-oriented GaN nanowires changes accordingly as Cs coverage increases. The work function of Cs-only-covered surface falls off with increasing Cs coverage. For the nanowire surface covered with either excessive or minor Cs coverage, the work function surprisingly increases slightly after O activation;however, for Cs coverage of 0.5 (monolayer) ML and 0.75 ML, O activation process still works for the nanowires photocathode. A downward band bending region is formed after Cs adsorption and will further bend downward after O adsorption only for models with Cs coverage of 0.5 ML and 0.75 ML. The optimized atomic ratio of Cs/O is 3:1. The diversification of the band structures is mainly attributed to the orbital hybridization between Cs-5 s, Cs-5p, O-2p states and Ga-4 s, N-2p states.

关键词： computer programming languages Photocathodes Nanowire Coverage gallium nitrate Work function

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Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To Predict Free-Energy Differences

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JOURNAL OF CHEMICAL INFORMATION AND MODELING 2017年第4期57卷 726-741页

作者： Riniker, Sereina ETH Phys Chem Lab Vladimir Prelog Weg 2 CH-8093 Zurich Switzerland

While the use of machine-learning (ML) techniques is well established in cheminformatics for the prediction of physicochemical properties and binding affinities, the training of ML models based on data from molecular dynamics (MD) simulations remains largely unexplored. Here, we present a fingerprint termed MDFP which is constructed from the distributions of properties such as potential -energy components, radius of gyration, and solvent-accessible surface area extracted from MD simulations. The corresponding fingerprint elements are the first two statistical moments of the distributions and the median. By considering not only the average but also the spread of the distribution in the fingerprint, some degree of entropic information is encoded. Short MD simulations of the molecules in water (and in vacuum) are used to generate MDFP. These are further combined with simple counts based on the 2D structure of the molecules into MDFP+. The resulting information-rich MDFP+ is used to train ML models for the prediction of solvation free energies in five different solvents (water, octanol, chloroform, hexadecane, and cyclohexane) as well as partition coefficients in octanol/water, hexadecane/water, and-cyclohexane/water. The approach is easy to implement and computationally relatively inexpensive. Yet, it performs similarly well compared to more rigorous MD-based free-energy methods such as free -energy perturbation (FEP) as well as end-state methods such as linear interaction energy (LIE), the conductor-like screening model for realistic solvation (COSMO-RS), and the SMx family of solvation models.

关键词： cyclohexanes Fingerprints molecules Free energy cheminformatics solvation Molecular Dynamics partition coefficients moment distribution computer programming languages Machine Learning Artificial Intelligence WELLS Molecular Dynamics Simulation

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A Survey on Visual programming languages in Internet of Things

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SCIENTIFIC programming 2017年第Pt.1期2017卷 1231430.1-1231430.1页

作者： Ray, Partha Pratim Sikkim Univ Dept Comp Applicat Gangtok 737102 Sikkim India

Visual programming has transformed the art of programming in recent years. Several organizations are in race to develop novel ideas to run visual programming in multiple domains with Internet of Things. IoT, being the most emerging area of computing, needs substantial contribution from the visual programming paradigm for its technological propagation. This paper surveys visual programming languages being served for application development, especially in Internet of Things field. 13 such languages are visited from several popular research-electronic databases (e. g., IEEE Xplore, Science Direct, Springer Link, Google Scholar, Web of Science, and Postscapes) and compared under four key attributes such as programming environment, license, project repository, and platform supports. Grouped into two segments, open source and proprietary platform, these visual languages pertain few crucial challenges that have been elaborated in this literature. The main goal of this paper is to present existing VPLs per their parametric proforma to enable na " ive developers and researchers in the field of IoT to choose appropriate variant of VPL for particular type of application. It is also worth validating the usability and adaptability of VPLs that is essential for selection of beneficiary in terms of IoT.

关键词： visual programming computer programming languages Thing Internets Internet of things Visual programming languages WAREHOUSE

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Evaluation of UAV imagery for mapping Silybum marianum weed patches

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INTERNATIONAL JOURNAL OF REMOTE SENSING 2017年第8-10期38卷 2246-2259页

作者： Tamouridou, A. A. Alexandridis, T. K. Pantazi, X. E. Lagopodi, A. L. Kashefi, J. Moshou, D. Aristotle Univ Thessaloniki Fac Agr Lab Remote Sensing Univ CampusUniv Box 259 Thessaloniki 54124 Greece Aristotle Univ Thessaloniki Fac Agr GIS Univ CampusUniv Box 259 Thessaloniki 54124 Greece Aristotle Univ Thessaloniki Fac Agr Agr Engn Lab Thessaloniki Greece Aristotle Univ Thessaloniki Fac Agr Plant Pathol Lab Thessaloniki Greece ARS USDA European Biol Control Lab Thessaloniki Greece

Silybum marianum (L.) Gaertn weed has the tendency to grow in patches. In order to perform site-specific weed management, determining the spatial distribution of weeds is important for its eradication. Remote sensing has been used to perform species discrimination and it offers promising techniques for operational weed mapping. In the present study, the feasibility of high-resolution imaging for S. marianum detection and mapping is reported. A multispectral camera (green-red-near-infrared) mounted on a fixed wing unmanned aerial vehicle (UAV) was used for the acquisition of high-resolution images with pixel size of 0.1 m. The maximum likelihood (ML) classifier was used to classify the S. marianum among other weed species present in a field, with Avena sterilisL. being predominant. As input to the classifier, the three spectral bands and the texture were used. The scale of the mapping was varied by degrading the image resolution to evaluate classification performance, with 1 m resolution providing the highest classification accuracy. The classification rates obtained using ML reached an overall accuracy of 87.04% with a K-hat statistic of 74%. The results prove the feasibility of operational S. marianum mapping using UAV and multispectral imaging.

关键词： multispectral imagery computer programming languages drone honey bees Weeds Unmanned Aerial Vehicle Patches images fixed wings Carduus marianus image resolution spatial distribution High resolution imaging

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