Performance evaluation principles for vector- and multiprocessor systems

Skilful computer system measurement, modelling and performance evaluation techniques are needed for supercomputer architectures. They allow to accurately determine characteristics performance values, to find potential hardware- and software-bottleneck; they also help to efficiently distribute and schedule user tasks. This paper is an extended version of a tutorial contribution at the IEEE CompEuro 87 and surveys fundamental performance issues and their solution for supercomputer architectures.     

前机身/进气道流场的一体化数值模拟

该文针对飞行器设计中的机体和进气道的一体化问题,采用分区结构搭接网格技术,对机体外流场采用有限体积法求解Euler方程,进气道内流场采用有限体积法求解N—S方程,发展了求解三维超音速前机身／进气道内外流的Euler／N—S方程分区处理程序,同时对某型飞机的前机身／进气道流场进行了一体化模拟。通过分析计算出的附加阻力和畸变系数等结果的合理性验证了计算程序的正确性。同时通过对计算域采用不同的密度网格进行计算,分析研究了网格疏密对计算结果的影响。     

Inference and uncertainty quantification of stochastic gene expression via synthetic models

Estimating uncertainty in model predictions is a central task in quantitative biology. Biological models at the single-cell level are intrinsically stochastic and nonlinear, creating formidable challenges for their statistical estimation which inevitably has to rely on approximations that trade accuracy for tractability. Despite intensive interest, a sweet spot in this trade-off has not been found yet. We propose a flexible procedure for uncertainty quantification in a wide class of reaction networks describing stochastic gene expression including those with feedback. The method is based on creating a tractable coarse-graining of the model that is learned from simulations, a synthetic model, to approximate the likelihood function. We demonstrate that synthetic models can substantially outperform state-of-the-art approaches on a number of non-trivial systems and datasets, yielding an accurate and computationally viable solution to uncertainty quantification in stochastic models of gene expression.     

Source–receptor relationships for heavy metals in the European atmosphere

Atmospheric concentrations of heavy metals (HMs), in particular As, Cd, Cu, Pb and Zn, were studied in an effort to contribute to the understanding of European source-receptor relationships. A comparison was made between the ambient concentrations measured at 11 background aerosol monitoring stations (in Denmark, the Czech Republic, Finland, Norway and Sweden) and the corresponding HM concentrations estimated by the Heavy Metals Eulerian Transport (HMET) meteorological dispersion model. The collected samples were analysed with Particle Induced X-ray Emission analysis (PIXE) except the Finnish samples which were analysed with Inductively Coupled Plasma – Mass Spectrometry (ICP-MS). The available data covers the period 1985–1994. The comparison showed that the European emissions of As, Cd and Pb seem to be fairly well estimated. On the other hand, the European Zn emissions are underestimated by a factor of 3 or more, while the Cu emissions appear to be slightly overestimated. The HMET dispersion model also made it possible to select occasions for which the sampling sites had a substantial contribution of HM from the highly polluted “Black Triangle” region (on the borders between the Czech Republic, Poland and Germany). The time evolution of the sources of HMs within this source region could be studied by applying various statistical receptor models on the extensive data set from two Danish stations, Keldsnor and Tange, covering the period 1985–1994. Four source types were clearly discerned throughout the 10 year time period. These sources were: soil dust; sea spray; general combustion and oil combustion. The strong time-dependence observed for the contribution from the Black Triangle region emphasizes the importance of keeping the emission inventories continuously updated if HMs deposition calculations and HMs emissions reduction protocols are to be based on dispersion modelling approaches.     

基于数值方法的平面二次包络蜗轮理论齿面的离散建模

针对平面二次包络蜗轮的数字化建模与数控加工问题,提出对蜗轮理论齿面运用截面法沿接触线进行离散,将蜗轮齿面离散成型值点云,为运用三角B—B曲面片对蜗轮齿面进行插值重构提供基础。这一算法简化了复杂共轭齿面的计算,提供了适于计算机表达的数据接口。     

关于高等数学教学改革的几点意见

对现行高等数学教学中存在的一些突出问题,提出改革措施.     

Computer simulation of the corrosion inhibition of copper in acidic solution by alkyl esters of 5-carboxybenzotriazole

A series of alkyl esters (methyl, butyl, hexyl, and octyl) synthesised from a mixture of 4- and 5-carboxybenzotriazole (4-CBTAH and 5-CBTAH) inhibited copper corrosion in aerated solution (pH∼0). Inhibition efficiency (IE%) of the protonated esters (CBTAH₂⁺-R) increased with hydrocarbon chain length and this is attributed to chemisorption (through azole ring N) and increased physical adsorption as more methyl groups are introduced. A modelling package employing molecular mechanics and molecular dynamics has been used to simulate the docking of a single protonated species (5-CBTAH₂⁺-R) onto a clean copper (1 1 0) surface. A decrease in potential energy was associated with the flattening of the ester ring system onto the surface and further decreases in energy were associated with the extension of the aliphatic chain onto the surface. The crude binding energy (E_bind) of each ester with the surface was estimated and this energy also increased regularly with carbon chain length. The study suggests that molecular modelling and calculation of E_bind of a single molecule on a specified metallic surface can be used to predict the inhibition performance of compounds whose structures change in a regular way.     

PBX炸药在摩擦作用下的点火起爆研究

为了研究PBX炸药的摩擦感度及其在摩擦作用下的点火机理,对PBX炸药进行了摩擦感度试验,并从细观结构的角度对炸药在摩擦作用下的响应过程进行了数值模拟,分析了细观结构对炸药温度场的影响,以及压力、初速度等条件对炸药摩擦点火的影响。结果表明:摩擦作用下PBX炸药的点火点位于HMX颗粒与黏结剂交界处,点火的临界温度为1 100K;向炸药施加的压力越大,其发火可靠性越高,点火时间越早;钢柱摩擦炸药的初速度增大,能够提高其发火可靠性以及点火时间。     

PriorVAE: encoding spatial priors with variational autoencoders for small-area estimation

Gaussian processes (GPs), implemented through multivariate Gaussian distributions for a finite collection of data, are the most popular approach in small-area spatial statistical modelling. In this context, they are used to encode correlation structures over space and can generalize well in interpolation tasks. Despite their flexibility, off-the-shelf GPs present serious computational challenges which limit their scalability and practical usefulness in applied settings. Here, we propose a novel, deep generative modelling approach to tackle this challenge, termed PriorVAE: for a particular spatial setting, we approximate a class of GP priors through prior sampling and subsequent fitting of a variational autoencoder (VAE). Given a trained VAE, the resultant decoder allows spatial inference to become incredibly efficient due to the low dimensional, independently distributed latent Gaussian space representation of the VAE. Once trained, inference using the VAE decoder replaces the GP within a Bayesian sampling framework. This approach provides tractable and easy-to-implement means of approximately encoding spatial priors and facilitates efficient statistical inference. We demonstrate the utility of our VAE two-stage approach on Bayesian, small-area estimation tasks.     

天然气管道肋条减阻数值分析

随着清洁能源的广泛应用,提高输气管道的输送效率成为热点问题,其中降低管输过程中的摩擦阻力至关重要。为探究三角形肋条在输气管道减阻中的应用效果,利用ANSYS-FLUENT软件对光滑管道和肋条管道中的湍流流动进行了数值模拟。结果表明,在近壁区域,肋条管道与光滑管道的速度剖面相差较大,主流区域相差较小,肋条结构的减阻效果主要基于近壁面;肋条结构将漩涡推离壁面,使肋底充满低速流体,降低近壁面处动量交换,减小摩擦阻力;与光滑壁面相比,尺寸为s=h=0.516 5 mm的肋条具有4.38%的减阻效果。