Full configuration interaction algorithm on a massively parallel architecture: Direct-list implementation

A parallel full configuration interaction (FCI) code, implemented on a distributed memory MPP computer, has been modified in order to use a direct algorithm to compute the lists of mono- and biexcitations each time they are needed. We were able to perform FCI calculations on the ground state of the acetylene molecule with two different basis sets, corresponding to more than 2.5 and 5 billion Slater determinants, respectively. The calculations were performed on a Cray-T3D and a Cray-T3E, both machines having 128 processors. Performance and comparison between the two computers are reported and discussed. © 1998 John Wiley & Sons, Inc. J Comput Chem 19: 658–672, 1998     

Variational Message Passing and Local Constraint Manipulation in Factor Graphs

Accurate evaluation of Bayesian model evidence for a given data set is a fundamental problem in model development. Since evidence evaluations are usually intractable, in practice variational free energy (VFE) minimization provides an attractive alternative, as the VFE is an upper bound on negative model log-evidence (NLE). In order to improve tractability of the VFE, it is common to manipulate the constraints in the search space for the posterior distribution of the latent variables. Unfortunately, constraint manipulation may also lead to a less accurate estimate of the NLE. Thus, constraint manipulation implies an engineering trade-off between tractability and accuracy of model evidence estimation. In this paper, we develop a unifying account of constraint manipulation for variational inference in models that can be represented by a (Forney-style) factor graph, for which we identify the Bethe Free Energy as an approximation to the VFE. We derive well-known message passing algorithms from first principles, as the result of minimizing the constrained Bethe Free Energy (BFE). The proposed method supports evaluation of the BFE in factor graphs for model scoring and development of new message passing-based inference algorithms that potentially improve evidence estimation accuracy.     

Extended Variational Message Passing for Automated Approximate Bayesian Inference

Variational Message Passing (VMP) provides an automatable and efficient algorithmic framework for approximating Bayesian inference in factorized probabilistic models that consist of conjugate exponential family distributions. The automation of Bayesian inference tasks is very important since many data processing problems can be formulated as inference tasks on a generative probabilistic model. However, accurate generative models may also contain deterministic and possibly nonlinear variable mappings and non-conjugate factor pairs that complicate the automatic execution of the VMP algorithm. In this paper, we show that executing VMP in complex models relies on the ability to compute the expectations of the statistics of hidden variables. We extend the applicability of VMP by approximating the required expectation quantities in appropriate cases by importance sampling and Laplace approximation. As a result, the proposed Extended VMP (EVMP) approach supports automated efficient inference for a very wide range of probabilistic model specifications. We implemented EVMP in the Julia language in the probabilistic programming package ForneyLab.jl and show by a number of examples that EVMP renders an almost universal inference engine for factorized probabilistic models.     

WINDOWS环境下输入法编程技术

本文论述了中文WINDOWS系统下输入法编程技术的基本原理、相关技术及其实现的方法.     

基于北斗的高精度时空服务设备的研制

为提供基于北斗的高精度授时/定位服务,设计了一种小型化、多通路的时空服务设备。该设备采用高性能多核DSP和FPGA作为主处理器,实时采集和处理北斗卫星数据,从而为终端提供精准的北斗时间/位置,以及北斗短报文通信功能。同时,利用设备内部高性能恒温晶振产生与北斗时间高度同步的时间基准,为卫星失锁时提供可靠的守时数据。此外,为满足不同设备使用需求,主处理器进行了多种类型接口的扩展。经多台设备试验证明,该设备提供的授时、守时以及位置等各项信息精度指标均满足设计要求。     

双下匝道系统的交通流动态特征及其优化

利用多车道元胞自动机模型研究双下匝道系统的交通流动态演化特征.采用可变情报板来实现交通诱导,着重分析驾驶员选择目标匝道的决策行为及其对道路通行能力的影响.分别建立了无可变情报板的基本模型和有可变情报板的诱导模型.通过数值模拟,分别给出了相应的相图、道路通行能力、流量图和时空斑图,分析了进车概率、出车比例和出车道长度对交通行为的影响.通过对两个模型模拟结果的比较分析,发现当出车道长度较小而进车概率、出车比例都较大时,可变情报板的诱导信息能明显提高下游匝道的利用率,改善道路交通流状况,从而缓解交通拥堵.     

基于现场可编程门阵列的手机短信息混沌加密系统设计方案及硬件实现

手机的普及使得个人信息安全问题受到广泛关注, 其中手机短信息的安全性尤为重要. 本文致力于设计实现手机短信息加密与安全传输的硬件系统, 采用混沌A5/1混合算法, 提出一种基于现场可编程门阵列(FPGA)的手机短信息加密系统设计方案. 使用由Logistic混沌序列做初始密钥而改进的A5/1混合算法作为加密算法, 分析其伪随机性并证明圆周相关与线性相关的关系; 采用SIM300模块设计实现手机功能, 仿真普通手机短信息和加密短信息的传输; 开发一套软件测试平台, 可以在计算机上呈现硬件系统的测试结果. 经测试表明, 本文提出并实现的硬件系统可以加密手机短信息并保证其正常传输, 从而提高了手机短信息的安全性.     

Stability of token passing rings

A sufficient stability condition for the standard token passing ring has been known since the seminal paper by Kuehn in 1979. However, this condition was derived without formal proof, and the proof seems to be of considerable interest to the research community. In fact, Watson observed that in the performance evaluation of token passing rings, it is convenient to derive stability conditions ... (without proof). Our intention is to fill this gap, and to provide a formal proof of thesufficient and necessary stability condition for the token passing ring. In this paper, we present the case when the arrival process to each queue is Poisson but service times and switchover times are generally distributed. We consider in depth a gatedl-limited (l ) service discipline for each station. We also indicate that the basic steps of our technique can be used to study the stability of some other multiqueue systems.This research was supported by NSF Grant CCR-8900305, and in part by AFOSR Grant 90-0107, and by Grant R01 LM05118 from the National Library of Medicine.     

Study on catastrophic mechanism for rotor drop transient vibration following magnetic bearing failure

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