从自模式曲线分辨到渐进类因子分析法

本文对自模式曲线分辨法的发展作了简要回顾，其中特别对近来来迅速发展的一类用于色谱波谱联用仪产生的二维分析数据的渐进类分析法作了详尽的讨论。这些新化学计量学方法的涌现，对复杂的未知分析体系的定性定量分析，将带来深刻的变化。     

渐进子窗口比较法比较分析温郁金挥发油

运用化学计量学方法探索姜科植物温郁金不同药材的挥发油色谱指纹图谱中化学成分的异同.指纹图谱数据由高效液相色谱法获得,流动相为乙腈-0.20%磷酸水溶液梯度洗脱,流速1.0 mL/min,柱温20 ℃,光谱记录范围为200～340 nm.应用渐进子窗口比较法对中药温郁金、温莪术及片姜黄挥发油指纹图谱-光谱数据进行比较分析.经比较,温郁金和温莪术的色谱指纹图谱中,至少分别有15和6种单独的化学成分存在,两者的共有的化学成分有18种;温莪术与片姜黄的共有化学成分13种,而单独存在的化学成分至少分别有4和7种.     

Information filtering in evolving online networks

Recommender systems use the records of users' activities and profiles of both users and products to predict users' preferences in the future. Considerable works towards recommendation algorithms have been published to solve the problems such as accuracy, diversity, congestion, cold-start, novelty, coverage and so on. However, most of these research did not consider the temporal effects of the information included in the users' historical data. For example, the segmentation of the training set and test set was completely random, which was entirely different from the real scenario in recommender systems. More seriously, all the objects are treated as the same, regardless of the new, the popular or obsoleted products, so do the users. These data processing methods always lose useful information and mislead the understanding of the system's state. In this paper, we detailed analyzed the difference of the network structure between the traditional random division method and the temporal division method on two benchmark data sets, Netflix and MovieLens. Then three classical recommendation algorithms, Global Ranking method, Collaborative Filtering and Mass Diffusion method, were employed. The results show that all these algorithms became worse in all four key indicators, ranking score, precision, popularity and diversity, in the temporal scenario. Finally, we design a new recommendation algorithm based on both users' and objects' first appearance time in the system. Experimental results showed that the new algorithm can greatly improve the accuracy and other metrics.     

Competing edge networks

We introduce a model for a pair of nonlinear evolving networks, defined over a common set of vertices, subject to edgewise competition. Each network may grow new edges spontaneously or through triad closure. Both networks inhibit the other?s growth and encourage the other?s demise. These nonlinear stochastic competition equations yield to a mean field analysis resulting in a nonlinear deterministic system. There may be multiple equilibria; and bifurcations of different types are shown to occur within a reduced parameter space. This situation models competitive communication networks such as BlackBerry Messenger displacing SMS; or instant messaging displacing emails.     

SPR-based Markov chain method for degree distributions of evolving networks

In this paper, we develop a stochastic process rules (SPR) based Markov chain method to calculate the degree distributions of evolving networks. This new approach overcomes two shortcomings of Shi, Chen and Liu’s use of the Markov chain method (Shi et al. 2005 [21]). In addition we show how an SPR-based Markov chain method can be effectively used to calculate degree distributions of random birth-and-death networks, which we believe to be novel. First SPR are introduced to replace traditional evolving rules (TR), making it possible to compute degree distributions in one sample space. Then the SPR-based Markov chain method is introduced and tested by using it to calculate two kinds of evolving network. Finally and most importantly, the SPR-based method is applied to the problem of calculating the degree distributions of random birth-and-death networks.     

直观推导式演进特征投影法分辨枸杞类胡萝卜素的异构体

采用高效液相色谱-二极管阵列检测方法,初步分离了枸杞子中的类胡萝卜素。以乙腈-二氯甲烷(体积比为60∶40)为流动相,流速为1.0 mL/min,用C18柱从枸杞类胡萝卜素中分离出7个峰。但由于类胡萝卜素的结构多样性,尤其是顺反异构体的出现使得分离并不完全。利用所得三维数据提供的信息和化学计量学方法直观推导式演进特征投影法(HELP),对其中某些在二维色谱中被定性为单组分的峰进行解析,结果发现原来在二维色谱中被定性为单组分的峰大多是一些多组分峰。以其中第4个峰为例对其进行解析,得到了该类胡萝卜素的同分异构体色谱流出曲线及紫外光谱信息。该方法表明,化学计量学方法与现代分析手段有机结合,大大降低了此类复杂体系对色谱分离的要求,对同分异构体的分析具有一定的借鉴和指导意义。     

Elimination mechanism promotes cooperation in coevolutionary prisoner’s dilemma games

We propose an elimination mechanism in the study of the evolutionary prisoner’s dilemma games on evolving networks. It assumes that after each round of playing, players whose payoffs are below a certain threshold will be eliminated from the game and the same number of new nodes will be added to the network to maintain the size of the network constant. Numerical results show that moderate values of elimination threshold can result in a maximum cooperation level in the evolutionary prisoner’s dilemma game. Moreover, the elimination mechanism can make the network structure evolve into a high heterogeneity in degree distribution, which is considered to be helpful in promoting cooperation in evolutionary games. The present study may provide new insight for understanding the evolution of cooperation in light of the law ‘survival of the fittest’ in nature.     

A nonlocal diffuse interface model for microstructure evolution of tin-lead solder

Microstructural length scales are relatively large in typical soldered connections. A microstructure which is continuously evolving is known to have a strong influence on damage initiation and propagation in solder materials. In order to make accurate lifetime predictions by numerical simulations, it is therefore necessary to take the microstructural evolution into account. In this work this is accomplished by using a diffuse interface model incorporating a strongly nonlocal variable. It is presented as an extension of the Cahn-Hilliard model, which is weakly nonlocal since it depends on higher order gradients which are by definition confined to the infinitesimal neighbourhood of the considered material point. Next to introducing a truly nonlocal measure in the free energy, this nonlocal formulation has the advantage that it is numerically more efficient. Additionally, the model is extended to include the elastically stored energy as a driving force for diffusion after which the entire system is solved using the finite element approach. The model results in a computational efficient algorithm which is capable of simulating the phase separation and coarsening of a solder material caused by combined thermal and mechanical loading.