Distributed and multicore QuBiLS-MIDAS software v2.0: Computing chiral,fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra

Advances to the distributed, multi-core and fully cross-platform QuBiLS-MIDAS software v2.0 ( http://tomocomd.com/qubils-midas ) are reported in this article since the v1.0 release. The QuBiLS-MIDAS software is the only one that computes atom-pair and alignment-free geometrical MDs (3D-MDs) from several distance metrics other than the Euclidean distance, as well as alignment-free 3D-MDs that codify structural information regarding the relations among three and four atoms of a molecule. The most recent features added to the QuBiLS-MIDAS software v2.0 are related (a) to the calculation of atomic weightings from indices based on the vertex-degree invariant (e.g., Alikhanidi index); (b) to consider central chirality during the molecular encoding; (c) to use measures based on clustering methods and statistical functions to codify structural information among more than two atoms; (d) to the use of a novel method based on fuzzy membership functions to spherically truncate inter-atomic relations; and (e) to the use of weighted and fuzzy aggregation operators to compute global 3D-MDs according to the importance and/or interrelation of the atoms of a molecule during the molecular encoding. Moreover, a novel module to compute QuBiLS-MIDAS 3D-MDs from their headings was also developed. This module can be used either by the graphical user interface or by means of the software library. By using the library, both the predictive models built with the QuBiLS-MIDAS 3D-MDs and the QuBiLS-MIDAS 3D-MDs calculation can be embedded in other tools. A set of predefined QuBiLS-MIDAS 3D-MDs with high information content and low redundancy on a set comprised of 20,469 compounds is also provided to be employed in further cheminformatics tasks. This set of predefined 3D-MDs evidenced better performance than all the universe of Dragon (v5.5) and PaDEL 0D-to-3D MDs in variability studies, whereas a linear independence study proved that these QuBiLS-MIDAS 3D-MDs codify chemical information orthogonal to the Dragon 0D-to-3D MDs. This set of predefined 3D-MDs would be periodically updated as long as new results be achieved. In general, this report highlights our continued efforts to provide a better tool for a most suitable characterization of compounds, and in this way, to contribute to obtaining better outcomes in future applications.     

110警车配置及巡逻方案

针对110警车调度问题,引入了图论中的最短路算法以及计算几何的相关理论,建立了车辆调配模型、巡逻路线模型以及基于模糊数学的评价指标模型.另外,用C++编写了一个可视化的软件,不仅实现了手动描点,自动求出覆盖线段集合的功能,同时利用计算机模拟警车的巡逻路线,最后通过计算机检验得到结果,其合理性和实用性都令人满意.针对问题一,通过人机结合,配置17辆警车就能实现D1的目标,很好地兼顾了警车巡逻的运行成本,减少公安部门车辆和人员等的投入.针对问题二,采用模糊数学相关理论使评价指标实现了从定性到定量的转变.针对问题三和六,在D1的基础上,兼顾了巡逻效果的显著性,采用最少被巡逻道路优先的贪心算法建立了动态巡逻模型,得到了合理的巡逻方案.在此方案中,我们动用了30辆警车完成了问题一的目标.另外还额外考虑了案发事件概率不均匀分布的情况,建立了改进模型.针对问题四,在完成问题三指标的基础上,为了尽可能提高巡逻车辆的隐蔽性和增强巡逻效果,采用轮盘赌算法来引入随机性.针对问题五,采用最远距离道路优先贪心策略,使模型尽可能满足条件D1,D2.针对问题七,提出了一些额外因素及其解决方案,进一步完善了模型,使模型更贴近现实.     

Exponential stability of Takagi-Sugeno fuzzy systems with impulsive effects and small delays

This paper deals with the exponential stability of impulsive Takagi-Sugeno fuzzy systems with delay. Impulsive control and delayed fuzzy control are applied to the system, and the criterion on exponential stability expressed in terms of linear matrix inequalities （LMIs） is presented.     

A unified approach to fuzzy modelling and robust synchronization of different hyperchaotic systems

In this paper, a Takagi Sugeno （T-S） fuzzy model-based method is proposed to deal with the problem of synchronization of two identical or different hyperchaotic systems. The T S fuzzy models with a small number of fuzzy IF-THEN rules are employed to represent many typical hyperchaotic systems exactly. The benefit of employing the T-S fuzzy models lies in mathematical simplicity of analysis. Based on the T-S fuzzy hyperchaotic models, two fuzzy controllers arc designed via parallel distributed compensation （PDC） and exact linearization （EL） techniques to synchronize two identical hyperchaotic systems with uncertain parameters and two different hyperchaotic systems, respectively. The sufficient conditions for the robust synchronization of two identical hyperchaotic systems with uncertain parameters and the asymptotic synchronization of two different hyperchaotic systems are derived by applying the Lyapunov stability theory. This method is a universal one of synchronizing two identical or different hyperchaotic systems. Numerical examples are given to demonstrate the validity of the proposed fuzzy model and hyperchaotic synchronization scheme.     

Fuzzy半群中的Fuzzy理想

本文先引入Ｆｕｚｚｙ半群中Ｆｕｚｚｙ理想的概念，进而讨论它们的一些代数性质，推广了前人的一些结果。     

Fuzzy Markov Chains and Decision-Making

Decision-making in an environment of uncertainty and imprecision for real-world problems is a complex task. In this paper it is introduced general finite state fuzzy Markov chains that have a finite convergence to a stationary (may be periodic) solution. The Cesaro average and the -potential for fuzzy Markov chains are defined, then it is shown that the relationship between them corresponds to the Blackwell formula in the classical theory of Markov decision processes. Furthermore, it is pointed out that recurrency does not necessarily imply ergodicity. However, if a fuzzy Markov chain is ergodic, then the rows of its ergodic projection equal the greatest eigen fuzzy set of the transition matrix. Then, the fuzzy Markov chain is shown to be a robust system with respect to small perturbations of the transition matrix, which is not the case for the classical probabilistic Markov chains. Fuzzy Markov decision processes are finally introduced and discussed.     

On Fuzzy Probability Theory

Our main aim from this work is to see which theorems in classical probability theory are still valid in fuzzy probability theory. Following Gudder's approach [Demonestratio Mathematica 31(3), 1998, 235–254; Foundations of Physics, 30, 1663–1678] to fuzzy probability theory, the basic concepts of the theory, that is of fuzzy probability measures and fuzzy random variables (observables), are presented. We show that fuzzy random variables extend the usual ones. Moreover, we prove that for any separable metrizable space, the crisp observables coincide with random variables. Then we prove the existence of a joint observable for any collection of observables, and we prove the weak law of large numbers and the central limit theorem in the fuzzy context. We construct a new definition of almost everywhere convergence. After proving that Gudder's definition implies ours and presenting an example that indicates that the converse is not true, we prove the strong law of large numbers according to this definition.     

Fuzzy半群中的极小Fuzzy理想

本文先给出Ｆｕｚｙ半群中极小Ｆｕｚｙ理想的一些代数性质,进而利用极小Ｆｕｚｙ理想刻划Ｆｕｚｚｙ单半群的一些代数性质