QSAR结合人工神经网络方法研究取代芳烃分子结构与Na-K-ATP酶活性

运用函数连接型神经网络研究 3 8种取代芳烃化合物的分子结构—毒性的定量构效关系 (QSAR) ,计算结果与MLR计算结果比较 ,前者比后者好。与实验结果的线性拟合相关系数 ,FLN所得结果为 0 9561～ 0 9996,MLR所得结果为 0 869～ 0 965。     

Δ3-1,2,4—噻二唑类化合物的量子化学及构效关系研究

Δ3-1,2,4—噻二唑类化合物具有抑制黄瓜霜霉病毒的杀菌活性。本文用半经验PM3方法对25个该类化合物进行了量子化学计算,并依据原子的净电荷、前沿轨道能级、轨道主要成分及原子在前沿轨道中所占比重等计算结果和多重回归分析讨论了该类化合物的活性部位,为该类化合物结构与活性的研究奠定了理论基础。     

改进SAFT方程用于链状分子流体PVT性质的计算

采用Ｃｈｉｅｗ的硬球链方程描述分子间的排斥作用,改进了ＳＡＦＴ状态化学方程。对烷烃、芳香烃、酮、卤代烃和聚合物体系ＰＶＴ性质的计算结果表明,改进后的ＳＡＦＴ状态方程进一步提高计算精度,初值的敏感性降低,模型参数呈良好的规律性,为提高模型对聚合物溶液相平衡预测能力奠定了良好的基础。     

From insect to Internet: Situated control for networked robot teams

Ant-like systems take advantage of agents' situatedness to reduce or eliminate the need for centralized control or global knowledge. This reduces the need for complexity of individuals and leads to robust, scalable systems. Such insect-inspired situated approaches have proven effective both for task performance and task allocation. The desire for general, principled techniques for situated interaction has led us to study the exploitation of abstract situatedness – situatedness in non-physical environments. The port-arbitrated behavior-based control approach provides a well-structured abstract behavior space in which agents can participate in situated interaction. We focus on the problem of role assumption, distributed task allocation in which each agent selects its own task-performing role. This paper details our general, principled Broadcast of Local Eligibility (BLE) technique for role-assumption in such behavior-space-situated systems, and provides experimental results from the CMOMMT target-tracking task. This revised version was published online in August 2006 with corrections to the Cover Date.     

Mobile Agent Coordination for Distributed Network Management

Mobile agents are a promising technology to face the problems raised by the increasing complexity and size of today's networks. In particular, in the area of network management, mobile agents can lead to a fully distributed paradigm to overcome the limits of traditional centralized approaches. A basic requirement for the management of a complex network is the definition of high-level and flexible models to coordinate the accesses to the resources—data and services—provided by the network nodes. On this basis, this paper describes the MARS coordination architecture for mobile agents. MARS is based on the definition of programmable tuple spaces associated with the network nodes: mobile agents can access the local resources and services via the tuple space, thus adopting a standard and high-level interface. The network administrator—via mobile agents—can dynamically program the behavior of the tuple space in reaction to the agents' access to the tuple space, thus leading to a flexible network model. Several examples show the effectiveness of the MARS approach in supporting network management activities.     

一种基于信任关系的网构软件安全模型及其应用研究

作为一种新的软件架构概念和技术,网构软件成为当前软件工程研究领域的焦点之一。然而新的架构技术和运行环境也使得网构软件技术面临着一些新的问题,其中包括网构软件的信息安全性问题。为了实现对网构软件的信息安全保护,本文提出了一种基于信任关系的网构软件安全保护模型,它通过建立网构软件中各软件主体之间的信任关系,达到对网构软件中信息的安全保护目的。     

Web日志挖掘与上网行为习惯分析

本文以某校校园网Web日志挖掘为例,首先阐述如何进行Web挖掘,其次运用该理论分析该校Web日志得到用户上网行为习惯,并给出合理化建议,最后引出进一步探索的方向,为以后工作奠定基础。本文采用的挖掘方法具有通用性和实用性,对于类似时序序列趋势分析都可参考本文。     

Innovations in Individual Feature History Management—The Significance of Feature-based Temporal Model

A feature relies on three dimensions (space, theme, and time) for its representation. Even though spatiotemporal models have been proposed, they have principally focused on the spatial changes of a feature. In this paper, a feature-based temporal model is proposed to represent the changes of both space and theme independently. The proposed model modifies the ISO’s temporal schema and adds new explicit temporal relationship structure that stores temporal topological relationship with the ISO’s temporal primitives of a feature in order to keep track feature history. The explicit temporal relationship can enhance query performance on feature history by removing topological comparison during query process. Further, a prototype system has been developed to test a proposed feature-based temporal model by querying land parcel history in Athens, Georgia. The result of temporal query on individual feature history shows the efficiency of the explicit temporal relationship structure.

Interval optimization of rotor-bearing systems with dynamic behavior constraints using an interval genetic algorithm

A new interval optimization algorithm is presented in this paper. In engineering, most optimization algorithms focus on exact parameters and optimum objectives. However, exact parameters are not easy to be manufactured to because of manufacturing errors and expensive manufacturing cost. To account for these problems, it is necessary to estimate interval design parameters and allowable objective error. This is the first paper to propose a new interval optimization algorithm within the context of Genetic Algorithms. This new algorithm, the Interval Genetic Algorithm (IGA), can neglect interval analysis and determines the optimum interval parameters. Furthermore, it can also effectively maximize the design scope. The optimizing ability of the IGA is tested through the interval optimization of a two-dimensional function. Then the IGA is applied to rotor-bearing systems. The results show that the IGA is effective in deriving optimal interval design parameters within the allowable error when minimizing shaft weight and/or transmitted force of rotor-bearing systems.     

Architectural Methodology Based on Intentional Configuration of Behaviors

Intelligence has been an object of study for a long time. Different architectures try to capture and reproduce these aspects into artificial systems (or agents), but there is still no agreement on how to integrate them into a general framework. With this objective in mind, we propose an architectural methodology based on the idea of intentional configuration of behaviors. Behavior‐producing modules are used as basic control components that are selected and modified dynamically according to the intentions of the agent. These intentions are influenced by the situation perceived, knowledge about the world, and internal variables that monitor the state of the agent. The architectural methodology preserves the emergence of functionality associated with the behavior‐based paradigm in the more abstract levels involved in configuring the behaviors. Validation of this architecture is done using a simulated world for mobile robots, in which the agent must deal with various goals such as managing its energy and its well‐being, finding targets, and acquiring knowledge about its environment. Fuzzy logic, a topologic map learning algorithm, and activation variables with a propagation mechanism are used to implement the architecture for this agent.