A GENERAL FREQUENCY DEPENDENT DIGITAL OPTIMAL PREVIEW SERVO SYSTEM

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基于IETM的图像类装备保障数据语义标注研究

为了有效的组织、查询和浏览海量的图像类装备保障数据,分析了现有图模型图像语义标注方法的弊端,选取了装备IETM内的图像类装备保障数据信息作为图像语义标注的样本数据,并结合TF*IDF权值理论,改进了图模型语义标注方法的语义标注词选定方法,构建了基于装备IETM的图像类装备保障数据语义标注模型。实验结果表明,所提出的图像类装备保障数据语义标注模型及算法能够有效地提升图像数据信息查询的查准率与查全率,能够在一定程度上满足用户对图像类装备保障数据语义标注的需求。     

A novel graphical representation of protein sequences and its application

On the basis of information on the evolution of the 20 amino acids and their physiochemical characteristics, we propose a new two-dimensional (2D) graphical representation of protein sequences in this article. By this representation method, we use 2D data to represent three-dimensional information constructed by the amino acids' evolution index, the class information of amino acid based on physiochemical characteristics, and the order of the amino acids appearing in the protein sequences. Then, using discrete Fourier transform, the sequence signals with different lengths can be transformed to the frequency domain, in which the sequences are with the same length. A new method is used to analyze the protein sequence similarity and to predict the protein structural class. The experiments indicate that our method is effective and useful.     

Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs)

We present results of molecular dynamics simulations of fully hydrated DMPC bilayers performed on graphics processing units (GPUs) using current state-of-the-art non-polarizable force fields and a local GPU-enabled molecular dynamics code named FEN ZI. We treat the conditionally convergent electrostatic interaction energy exactly using the particle mesh Ewald method (PME) for solution of Poisson's Equation for the electrostatic potential under periodic boundary conditions. We discuss elements of our implementation of the PME algorithm on GPUs as well as pertinent performance issues. We proceed to show results of simulations of extended lipid bilayer systems using our program, FEN ZI. We performed simulations of DMPC bilayer systems consisting of 17,004, 68,484, and 273,936 atoms in explicit solvent. We present bilayer structural properties (atomic number densities, electron density profiles), deuterium order parameters (S(CD)), electrostatic properties (dipole potential, water dipole moments), and orientational properties of water. Predicted properties demonstrate excellent agreement with experiment and previous all-atom molecular dynamics simulations. We observe no statistically significant differences in calculated structural or electrostatic properties for different system sizes, suggesting the small bilayer simulations (less than 100 lipid molecules) provide equivalent representation of structural and electrostatic properties associated with significantly larger systems (over 1000 lipid molecules). We stress that the three system size representations will have differences in other properties such as surface capillary wave dynamics or surface tension related effects that are not probed in the current study. The latter properties are inherently dependent on system size. This contribution suggests the suitability of applying emerging GPU technologies to studies of an important class of biological environments, that of lipid bilayers and their associated integral membrane proteins. We envision that this technology will push the boundaries of fully atomic-resolution modeling of these biological systems, thus enabling unprecedented exploration of meso-scale phenomena (mechanisms, kinetics, energetics) with atomic detail at commodity hardware prices.     

基于Eclipse平台的本体图形编辑器的设计与实现

文章通过对Eclipse平台和GEF框架的介绍,分析了Eclipse平台在图形编辑方面的优越性.结合本体编辑,设计并实现了基于Eclipse平台下的本体编辑器,对编辑器的系统结构做了详细地分析.编辑器由模型、视图、控制以及文件四大部分组成,由于采用基于MVC模式的GEF框架,使得软件结构清晰,明显缩短了软件的开发周期,提高了软件的可维护性和代码的重用性.     

Systematic and statistical errors in quantitative evaluation in TLC and HPTLC. 1. Evaluation by graphic methods

The paper discusses errors and error propagation in respect of graphic methods in quantitative in situ measurements in TLC. An error of 0.3% is possible by measuring only peak height if optimal conditions are chosen. This is in good agreement with analysis done practically which gives errors in the order of 0.3–0.6%. If the peak area is evaluated using the approximation peak height × half width, the error is in the order of 0.6%, but in real experiments only 1.5% had been found. Systematic errors in determining peak heights are introduced by the time constant of the amplifiers and the recorder.     

The graphical relaxation: A new framework for the symmetric traveling salesman polytope

A present trend in the study of theSymmetric Traveling Salesman Polytope (STSP(n)) is to use, as a relaxation of the polytope, thegraphical relaxation (GTSP(n)) rather than the traditionalmonotone relaxation which seems to have attained its limits. In this paper, we show the very close relationship between STSP(n) and GTSP(n). In particular, we prove that every non-trivial facet of STSP(n) is the intersection ofn + 1 facets of GTSP(n),n of which are defined by the degree inequalities. This fact permits us to define a standard form for the facet-defining inequalities for STSP(n), that we calltight triangular, and to devise a proof technique that can be used to show that many known facet-defining inequalities for GTSP(n) define also facets of STSP(n). In addition, we give conditions that permit to obtain facet-defining inequalities by composition of facet-defining inequalities for STSP(n) and general lifting theorems to derive facet-defining inequalities for STSP(n +k) from inequalities defining facets of STSP(n).Partially financed by P.R.C. Mathématique et Informatique.     

Registering the Amica electronic structure code in the extensible computational chemistry environment

We describe the integration and use of the Amica software package ("Atoms & Molecules In Chemical Accuracy") within the Extensible Computational Chemistry Environment (Ecce). Amica is capable of accurately solving the electronic Schrodinger equation of small atoms and molecules using terms that are linear in the interelectronic distances, r(12), on multireference level of theory, but it requires expert knowledge to configure and execute its algorithms. Ecce is a comprehensive suite of tools that support the computational chemistry research processes of computation setup, execution, and analysis through a convenient graphical user interface. Additionally, Ecce was architected with mechanisms to integrate alternative electronic structure codes. The successful integration of Amica within Ecce validates the architecture of the latter and brings the high-accuracy capabilities of Amica to a wider audience.     

An efficient algorithm for finding the largest chain graph according to a given chain graph

Chain graph (CG) is a general model of graphical Markov models. Some different chain graphs may describe the same conditional independence structure, then we say that these CGs are Markov equivalent. In 1990 Frydenberg showed that every class of Markov equivalent CGs has a CG which is called the largest chain graph with the greatest number of lines. This paper presents an efficient algorithm for finding the largest chain graph of the corresponding Markov equivalent class of a given CG. The computational complexity of the algorithm is O(n3). It is more efficient than the complexity O(n!) of the present algorithms. Also a more intuitive graphical characterization of the largest chain graph is provided based on the algorithm in this paper.     

Differentially Private Precision Matrix Estimation

In this paper, we study the problem of precision matrix estimation when the dataset contains sensitive information. In the differential privacy framework, we develop a differentially private ridge estimator by perturbing the sample covariance matrix. Then we develop a differentially private graphical lasso estimator by using the alternating direction method of multipliers (ADMM) algorithm. Furthermore, we prove theoretical results showing that the differentially private ridge estimator for the precision matrix is consistent under fixed-dimension asymptotic, and establish a convergence rate of differentially private graphical lasso estimator in the Frobenius norm as both data dimension p and sample size n are allowed to grow. The empirical results that show the utility of the proposed methods are also provided.