Developing molecular identification numbers by an all-paths method

A new topological index is devised from an all-paths method. This molecular topological index has highly discriminating power for various kinds of organic compounds such as alkane trees, complex cyclic or polycyclic graphs, and structures containing heteroatoms and thus can be used as a Molecular IDentification number (MID) for chemical documentation. Some published MIDs derived from an all-paths method and their structural selectivity for alkane trees are also reviewed.

Study on computer perception of topological symmetry

A new algorithm for computer perception of topological symmetry is proposed. A node library containing various kinds of nodes is built, and the index number of the library is used as initial atom class identifier (CI) to discriminate the different types of non-hydrogen atoms. The path index (PI) and ringindex (RI) are calculated from the CI, and the global topological enviroment is defined as the sum of PIs and RIs. The topological symmetry can be detected by the iterative calculation of the global topological enviroment.

On highly discriminating molecular topological index

A highly discriminating molecular topological index, EAID, is proposed based on the extended adjacency matrix. A systematic search for degeneracy was performed for 3 807 434 alkane trees, 202 558 complex cyclic or polycyclic graphs, and 430 472 structures containing heteroatoms. No counterexamples (two or more nonisomorphic structures with the same EAID number) were found. This is a hitherto unheard of power of discrimination. Thus EAID might be possibly used as supplementary reference for CAS Registry Numbers for structure documentation.

A NEW SCHEME FOR ASSIGNMENT OF A CANONICAL CONNECTION TABLE

A new algorithm for deriving canonical numbering of atoms in a molecular graph has been developed. Some graph invariants, such as node properties, degree (connectivity), topological path, the smallest node ring index, etc., are encoded together to partit

Infrared heater arrays for warming ecosystem field plots

There is a need for methodology to warm open-field plots in order to study the likely effects of global warming on ecosystems in the future. Herein, we describe the development of arrays of more powerful and efficient infrared heaters with ceramic heating elements. By tilting the heaters at 45 degrees from horizontal and combining six of them in a hexagonal array, good uniformity of warming was achieved across 3-m-diameter plots. Moreover, there do not appear to be obstacles (other than financial) to scaling to larger plots. The efficiency [eta(h) (%); thermal radiation out per electrical energy in] of these heaters was higher than that of the heaters used in most previous infrared heater experiments and can be described by: eta(h) = 10 + 25exp(-0.17 u), where u is wind speed at 2 m height (m s(-1)). Graphs are presented to estimate operating costs from degrees of warming, two types of plant canopy, and site windiness. Four such arrays were deployed over plots of grass at Haibei, Qinghai, China and another at Cheyenne, Wyoming, USA, along with corresponding reference plots with dummy heaters. Proportional integral derivative systems with infrared thermometers to sense canopy temperatures of the heated and reference plots were used to control the heater outputs. Over month-long periods at both sites, about 75% of canopy temperature observations were within 0.5 degrees C of the set-point temperature differences between heated and reference plots. Electrical power consumption per 3-m-diameter plot averaged 58 and 80 kW h day(-1) for Haibei and Cheyenne, respectively. However, the desired temperature differences were set lower at Haibei (1.2 degrees C daytime, 1.7 degrees C night) than Cheyenne (1.5 degrees C daytime, 3.0 degrees C night), and Cheyenne is a windier site. Thus, we conclude that these hexagonal arrays of ceramic infrared heaters can be a successful temperature free-air-controlled enhancement (T-FACE) system for warming ecosystem field plots.

基于局部子图匹配的SLAM方法

针对现有的SLAM解决方法在机器人被"绑架"时失效的问题,提出了基于局部子图匹配的方法。该方法对现有的SLAM解决构架进行了改进,提出交点最优匹配的特征相关算法,并且将奇异值分解方法引入机器人定位。最后,在结构化环境下将本方法和基于扩展卡尔曼滤波器的方法进行比较,讨论了基于局部子图匹配的方法在结构化环境中解决机器人"绑架"问题的有效性和可行性。

大型铰接并联六维测力平台摩擦建模

在已有制造工艺及标定技术基础上,为进一步改善大型铰接并联六维测力平台的测量精度,本文基于螺旋理论和影响系数原理,引入符号函数建立了Stewart结构大型铰接六维测力平台的摩擦模型。文中提出了关节摩擦对铰接并联六维测力平台测量精度的影响矩阵及I、H类误差表达式,绘制了在不同外载和关节摩擦系数条件下,六维测力平台的I、II类误差曲线,并总结丁关节摩擦和平台自重对测力平台测量精度的影响规律。为具有普通球形铰链人型Stewart平台六维测力下台精度的提高和改善提供了理论基础。

虚拟现实辅助机器人遥操作技术研究

本文以水下机器人的遥操作作业为应用背景 ,提出并实现了虚拟现实技术和视觉感知信息辅助机器人遥操作实验系统 .该系统使用了 CAD模型和立体视觉信息完成遥操作机器人及其作业环境的几何建模和运动学建模 ,实现了虚拟作业环境的生成和实时动态图形显示 .采用了基于立体视觉的虚拟环境与真实环境的一致性校正、图形图像叠加、作业体与环境位姿关系建立、基于网络的监控通讯等关键技术 .在这个实验系统中 ,操作人员可利用所生成的虚拟环境 ,在多视点、多窗口作业状态图形和图像显示帮助下 ,实时动态地进行作业观测与机器人遥操作与运动规划 ,为先进遥操作机器人系统的实现提供了经验和关键技术 .

Piecemeal Learning of an Unknown Environment

We introduce a new learning problem: learning a graph by piecemeal search, in which the learner must return every so often to its starting point (for refueling, say). We present two linear-time piecemeal-search algorithms for learning city-block graphs: grid graphs with rectangular obstacles.

Contextual models for object detection using boosted random fields

We seek to both detect and segment objects in images. To exploit both local image data as well as contextual information, we introduce Boosted Random Fields (BRFs), which uses Boosting to learn the graph structure and local evidence of a conditional random field (CRF). The graph structure is learned by assembling graph fragments in an additive model. The connections between individual pixels are not very informative, but by using dense graphs, we can pool information from large regions of the image; dense models also support efficient inference. We show how contextual information from other objects can improve detection performance, both in terms of accuracy and speed, by using a computational cascade. We apply our system to detect stuff and things in office and street scenes.

A dichotomic search algorithm for mining and learning in domain-specific logics

Ferr?, S. and King, R. D. (2004) A dichotomic search algorithm for mining and learning in domain-specific logics. Fundamenta Informaticae. IOS Press. To appear

Generating complex connectivity structures for large-scale neural models

Martin Huelse: Generating complex connectivity structures for large-scale neural models. In: V. Kurkova, R. Neruda, and J. Koutnik (Eds.): ICANN 2008, Part II, LNCS 5164, pp. 849?858, 2008. Sponsorship: EPSRC

Rozproszone algorytmy aproksymacyjne dla grafów dyskowych

Wydział Matematyki i Informatyki: Zakład Matematyki Dyskretnej

A perceção de qualidade de vida do idoso institucionalizado

A institucionalização do idoso é cada vez mais uma realidade constante, o que faz com que a população idosa tenha um peso maior na estrutura etária, quer por necessidades próprias quer por necessidades sentidas pelos seus cuidadores. A fim de darmos resposta aos objetivos delineados; saber qual a perceção dos idosos sobre a Qualidade de vida; conhecer o quão satisfeitos estão os idosos com a sua saúde e conhecer a qualidade de vida dos idosos no domínio físico, psicológico, nas relações sociais e no meio ambiente. Como instrumento de recolha de dados, utilizamos a escala Whoqol-Bref e recolhemos os dados através de uma entrevista a 28 idosos com uma média de idades de 85,5 anos, institucionalizados na Residence Grande Fontaine, na Suíça. Após a colheita de dados, estes foram analisados através do programa informático Microsoft Office Excel 2010 e organizados em gráficos e tabelas. Tendo em conta os parâmetros utilizados pela escala supra referida para avaliação da qualidade de vida, conclui-se que os idosos inquiridos apresentam uma qualidade de vida no nível "Boa". Relativamente à satisfação com a sua saúde os idosos inquiridos apresentavam-se no nível "nem satisfeitos nem insatisfeitos com a mesma". Em relação a avaliação da qualidade de vida no que se refere aos quatro domínios da escala, o domínio com melhor percentagem é do meio ambiente e o domínio com menor classificação refere-se ao domínio das relações sociais.

How Good are Genetic Algorithms at Finding Large Cliques: An Experimental Study

This paper investigates the power of genetic algorithms at solving the MAX-CLIQUE problem. We measure the performance of a standard genetic algorithm on an elementary set of problem instances consisting of embedded cliques in random graphs. We indicate the need for improvement, and introduce a new genetic algorithm, the multi-phase annealed GA, which exhibits superior performance on the same problem set. As we scale up the problem size and test on \hard" benchmark instances, we notice a degraded performance in the algorithm caused by premature convergence to local minima. To alleviate this problem, a sequence of modi cations are implemented ranging from changes in input representation to systematic local search. The most recent version, called union GA, incorporates the features of union cross-over, greedy replacement, and diversity enhancement. It shows a marked speed-up in the number of iterations required to find a given solution, as well as some improvement in the clique size found. We discuss issues related to the SIMD implementation of the genetic algorithms on a Thinking Machines CM-5, which was necessitated by the intrinsically high time complexity (O(n3)) of the serial algorithm for computing one iteration. Our preliminary conclusions are: (1) a genetic algorithm needs to be heavily customized to work "well" for the clique problem; (2) a GA is computationally very expensive, and its use is only recommended if it is known to find larger cliques than other algorithms; (3) although our customization e ort is bringing forth continued improvements, there is no clear evidence, at this time, that a GA will have better success in circumventing local minima.