The analysis of solvation in ionic liquids and organic solvents using the Abraham linear free energy relationship

The contentions made in an earlier paper [J Chem Technol Biotechnol 80 : 133–137 (2005)] that the coefficients of the Abraham solvation equation do not provide meaningful information on the molecular properties of ionic liquid solvents is refuted. The objections noted in the earlier paper disappear when the solvation equation model is correctly applied to the experimental data. It is further shown that the coefficients of the Abraham solvation equations can be used to characterize ionic liquids and can be used to select solvents for the solubility of gaseous solutes. Copyright © 2006 Society of Chemical Industry     

Development of calibration models for quality control in the production of ethylene/propylene copolymers by FTIR spectroscopy,multivariate statistical tools,and artificial neural networks

Principal component regression (PCR), partial least squares (PLS), StepWise ordinary least squares regression (OLS), and back‐propagation artificial neural network (BP‐ANN) are applied here for the determination of the propylene concentration of a set of 83 production samples of ethylene–propylene copolymers from their infrared spectra. The set of available samples was split into (a) a training set, for models calculation; (b) a test set, for selecting the correct number of latent variables in PCR and PLS and the end point of the training phase of BP‐ANN; (c) a production set, for evaluating the predictive ability of the models. The predictive ability of the models is thus evaluated by genuine predictions. The model obtained by StepWise OLS turned out to be the best one, both in fitting and prediction. The study of the breakdown number of samples to be included in the training set showed that at least 52 experiments are necessary to build a reliable and predictive calibration model. It can be concluded that FTIR spectroscopy and OLS can be properly employed for monitoring the synthesis or the final product of ethylene–propylene copolymers, by predicting the concentration of propylene directly along the process line. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

Reconstruction of reflectance spectra using weighted principal component analysis

The weighted principal component analysis technique is employed for reconstruction of reflectance spectra of surface colors from the related tristimulus values. A dynamic eigenvector subspace based on applying certain weights to reflectance data of Munsell color chips has been formed for each particular sample and the color difference value between the target, and Munsell dataset is chosen as a criterion for determination of weighting factors. Implementation of this method enables one to increase the influence of samples which are closer to target on extracted principal eigenvectors and subsequently diminish the effect of those samples which benefit from higher amount of color difference. The performance of the suggested method is evaluated in spectral reflectance reconstruction of three different collections of colored samples by the use of the first three Munsell bases. The resulting spectra show considerable improvements in terms of root mean square error between the actual and reconstructed reflectance curves as well as CIELAB color difference under illuminant A in comparison to those obtained from the standard PCA method. © 2008 Wiley Periodicals, Inc. Col Res Appl, 33, 360–371, 2008     

基于Gabor小波与LBP直方图序列的人脸年龄估计

提出了一种基于Gabor小波和局域二值模式(Local binary pattern,LBP)直方图序列的人脸年龄估计方法。首先对人脸图像提取多方向与多尺度的Gabor幅值域图谱(Gabor magnitude maps,GMMs);然后采用基于局部特征的LBP算子对GMMs编码,并对之分块,由各子块的直方图序列来描述人脸;为进一步降低人脸特征维数,再对人脸直方图序列特征应用主成分分析(PCA);最后使用支持向量机回归(SVR)的LOPO策略对人脸年龄库进行训练和测试。实验结果表明,该方法可以较为快速有效地对人脸图像进行年龄估计。     

BP网络模型对人脸朝向的识别

研究BP神经网络模型,通过计算机模拟人脑建立神经元网络,使用一部分人脸朝向信息作为训练的实例集,训练稳健后,可以推广应用判断其他人脸的朝向信息,以实现计算机自动识别人脸朝向。先对图片进行归一化等预处理,再应用主成分分析提取特征信息,每幅提取出的特征信息都是8个数据的列向量,构建一个8个输入、17个隐含、3个输出的三层BP网络模型。将训练实例集的特征向量代入训练,调整参数后保证其性能和收敛速度。最后通过大量实验验证,计算机识别的误判率仅为6.7%,模型可靠。     

结构正则化多视图非负矩阵分解

现存非负矩阵分解（non-negative matrix factorization,NMF）研究多考虑单一视图分解数据,忽略了数据信息的全面性。此外,NMF限制其获取数据的内在几何结构。针对以上问题,提出一个结构正则化多视图非负矩阵分解算法（structure regularized multi-view nonnegative matrix factorization,SRMNMF）。首先,通过主成分分析来对数据进行全局结构的判别式学习;其次,利用流形学习来捕获数据的局部结构;然后,通过利用多视图数据的多样性和差异性来学习表征。模型提升了算法聚类的整体性能,更加有效地挖掘数据的结构信息。此外,采用高效的交替迭代算法优化目标函数得到最优的因子矩阵。在六个数据集上与现存的代表性方法比较,所提出的SRMNMF的准确率、NMI和Purity分别最大提高4.4%、6.1%和4.05%。     

Weighted principal component extraction with genetic algorithms

Pattern recognition techniques have been widely used in a variety of scientific disciplines including computer vision, artificial intelligence, biology, and so forth. Although many methods present satisfactory performances, they still have several weak points, thus leaving a lot of space for further improvements. In this paper, we propose two performance-driven subspace learning methods by extending the principal component analysis (PCA) and the kernel PCA (KPCA). Both methods adopt a common structure where genetic algorithms are employed to pursue optimal subspaces. Because the proposed feature extractors aim at achieving high classification accuracy, enhanced generalization ability can be expected. Extensive experiments are designed to evaluate the effectiveness of the proposed algorithms in real-world problems including object recognition and a number of machine learning tasks. Comparative studies with other state-of-the-art techniques show that the methods in this paper are capable of enhancing generalization ability for pattern recognition systems.     

小波变换和特征加权融合的人脸识别

在人脸识别领域,提取人脸特征和降低维数是人脸识别的关键。传统的基于小波变换的人脸识别算法仅在小波分解的低频分量上提取用于分类的图像特征,造成了高频分量中部分对识别有利信息的丢失。为了更有效地提取人脸图像特征,提出一种基于小波变换和特征加权融合的人脸识别算法。首先通过小波变换对人脸图像进行降维处理,然后对4个小波子图分别运用主成分分析法(PCA)提取特征,并把这4部分特征加权融合,最后利用支持向量机(SVM)进行分类识别。在ORL人脸库上进行实验验证,识别准确率可达到97.5%,实验结果表明该算法能够有效提高人脸识别能力,与传统识别算法相比具有较高的识别准确率和识别速度。     

Stress due to a moving band source of heat and mechanical load on the work surface during grinding

The grinding operation is considered to be equivalent to a moving band source of heat and mechanical load on the surface of a semi-infinite solid, producing very high temperature on the surface of the workpiece. The resulting temperature may result in high stress in the workpiece. It is thus desirable to be able to predict the stress levels expected during the grinding process.     

地层主曲率在研究储层裂缝发育中的应用

曲面曲率的几何意义可以反映曲面一点邻近区域的具体形态和变形特征,因而可以用主曲率法来评价和预测油气储层裂缝分布和发育程度,应用这种方法对泌阳深凹陷中心安棚鼻状构造带进行了评价。研究结果表明,采用主曲率法预测的结果与地质解释、钻井和测井资料吻合较好,具有很好的应用前景。