Quantitative structure-property relationship study of the solubility of thiazolidine-4-carboxylic acid derivatives using ab initio and genetic algorithm-partial least squares

A quantitative structure-activity relationships （QSAR） study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calculate some quantum chemical descriptors including electrostatic potentials and local charges at each atom, HOMO and LUMO energies, etc. Modeling of the solubility of thiazolidine- 4-carboxylic acid derivatives as a function of molecular structures was established by means of the partial least squares （PLS）. The subset of descriptors, which resulted in the low prediction error, was selected by genetic algorithm. This model was applied for the prediction of the solubility of some thiazolidine-4-carboxylic acid derivatives, which were not in the modeling procedure. The relative errors of prediction lower that -4% was obtained by using GA-PLS method. The resulted model showed high prediction ability with RMSEP of 3.8836 and 2.9500 for PLS and GA-PLS models, respectively.

Real-Time Patient-Specific ECG Arrhythmia Detection by Quantum Genetic Algorithm of Least Squares Twin SVM

The automatic detection of cardiac arrhythmias through remote monitoring is still a challenging task since electrocardiograms(ECGs)are easily contaminated by physiological artifacts and external noises,and these morphological characteristics show significant variations for different patients.A fast patient-specific arrhythmia diagnosis classifier scheme is proposed,in which a wavelet adaptive threshold denoising is combined with quantum genetic algorithm(QAG)based on least squares twin support vector machine(LSTSVM).The wavelet adaptive threshold denoising is employed for noise reduction,and then morphological features combined with the timing interval features are extracted to evaluate the classifier.For each patient,an individual and fast classifier will be trained by common and patient-specific training data.Following the recommendations of the Association for the Advancements of Medical Instrumentation(AAMI),experimental results over the MIT-BIH arrhythmia benchmark database demonstrated that our proposed method achieved the average detection accuracy of 98.22%,99.65%and 99.41%for the abnormal,ventricular ectopic beats(VEBs)and supra-VEBs(SVEBs),respectively.Besides the detection accuracy,sensitivity and specificity,our proposed method consumes the less CPU running time compared with the other representative state of the art methods.It can be ported to Android based embedded system,henceforth suitable for a wearable device.

A Method for Assessing Customer Harmonic Emission Level Based on the Iterative Algorithm for Least Square Estimation

With the power system harmonic pollution problems becoming more and more serious, how to distinguish the harmonic responsibility accurately and solve the grid harmonics simply and effectively has become the main development direction in harmonic control subjects. This paper, based on linear regression analysis of basic equation and improvement equation, deduced the least squares estimation (LSE) iterative algorithm and obtained the real-time estimates of regression coefficients, and then calculated the level of the harmonic impedance and emission estimates in real time. This paper used power system simulation software Matlab/Simulink as analysis tool and analyzed the user side of the harmonic amplitude and phase fluctuations PCC (point of common coupling) at the harmonic emission level, thus the research has a certain theoretical significance. The development of this algorithm combined with the instrument can be used in practical engineering.

Multi-sensor Hybrid Fusion Algorithm Based on Adaptive Square-root Cubature Kalman Filter

处于正常操作条件，一个常规方形根的求容积法 Kalman 过滤器(SRCKF ) 给足够地好的评价结果。然而，如果大小不是可靠的， SRCKF 可以给不精密的结果并且到时间分叉。这研究与过滤器获得修正介绍一个适应 SRCKF 算法因为测量的盒子失灵。由建议一个切换的标准，一个最佳的过滤器根据测量质量从适应、常规的 SRCKF 被选择。一个分系统软差错察觉算法与过滤器剩余被造。利用一个清楚的分系统差错系数，有缺点的分系统由于系统重建被孤立。以便改进多传感器系统的性能，一个混合熔化算法基于适应 SRCKF 被介绍。状态和错误协变性矩阵被 priori 熔化估计也预言，并且被分系统的预言并且估计的信息更新。建议算法被用于容器动态放系统模拟。他们与正常 SRCKF 和本地评价相比是加权的熔化算法。模拟结果证明介绍适应 SRCKF 改进分系统过滤的坚韧性，并且混合熔化算法有更好的表演。模拟验证建议算法的有效性。

Vibration Suppression for Active Magnetic Bearings Using Adaptive Filter with Iterative Search Algorithm

Active Magnetic Bearing(AMB) is a kind of electromagnetic support that makes the rotor movement frictionless and can suppress rotor vibration by controlling the magnetic force. The most common approach to restrain the rotor vibration in AMBs is to adopt a notch filter or adaptive filter in the AMB controller. However, these methods cannot obtain the precise amplitude and phase of the compensation current. Thus, they are not so effective in terms of suppressing the vibrations of the fundamental and other harmonic orders over the whole speed range. To improve the vibration suppression performance of AMBs,an adaptive filter based on Least Mean Square(LMS) is applied to extract the vibration signals from the rotor displacement signal. An Iterative Search Algorithm(ISA) is proposed in this paper to obtain the corresponding relationship between the compensation current and vibration signals. The ISA is responsible for searching the compensating amplitude and shifting phase online for the LMS filter, enabling the AMB controller to generate the corresponding compensation force for vibration suppression. The results of ISA are recorded to suppress vibration using the Look-Up Table(LUT) in variable speed range. Comprehensive simulations and experimental validations are carried out in fixed and variable speed range, and the results demonstrate that by employing the ISA, vibrations of the fundamental and other harmonic orders are suppressed effectively.

CONVERGENCE AND STABILITY OF RECURSIVE DAMPED LEAST SQUARE ALGORITHM

The recursive least square is widely used in parameter identification. But if is easy to bring about the phenomena of parameters burst-off. A convergence analysis of a more stable identification algorithm-recursive damped least square is proposed. This is done by normalizing the measurement vector entering into the identification algorithm. rt is shown that the parametric distance converges to a zero mean random variable. It is also shown that under persistent excitation condition, the condition number of the adaptation gain matrix is bounded, and the variance of the parametric distance is bounded.

Amplitude phase control for electro-hydraulic servo system based on normalized least-mean-square adaptive filtering algorithm

The electro-hydraulic servo system was studied to cancel the amplitude attenuation and phase delay of its sinusoidal response,by developing a network using normalized least-mean-square (LMS) adaptive filtering algorithm.The command input was corrected by weights to generate the desired input for the algorithm,and the feedback was brought into the feedback correction,whose output was the weighted feedback.The weights of the normalized LMS adaptive filtering algorithm were updated on-line according to the estimation error between the desired input and the weighted feedback.Thus,the updated weights were copied to the input correction.The estimation error was forced to zero by the normalized LMS adaptive filtering algorithm such that the weighted feedback was equal to the desired input,making the feedback track the command.The above concept was used as a basis for the development of amplitude phase control.The method has good real-time performance without estimating the system model.The simulation and experiment results show that the proposed amplitude phase control can efficiently cancel the amplitude attenuation and phase delay with high precision.

Seasonal Least Squares Support Vector Machine with Fruit Fly Optimization Algorithm in Electricity Consumption Forecasting

Electricity is the guarantee of economic development and daily life. Thus, accurate monthly electricity consumption forecasting can provide reliable guidance for power construction planning. In this paper, a hybrid model in combination of least squares support vector machine(LSSVM) model with fruit fly optimization algorithm(FOA) and the seasonal index adjustment is constructed to predict monthly electricity consumption. The monthly electricity consumption demonstrates a nonlinear characteristic and seasonal tendency. The LSSVM has a good fit for nonlinear data, so it has been widely applied to handling nonlinear time series prediction. However, there is no unified selection method for key parameters and no unified method to deal with the effect of seasonal tendency. Therefore, the FOA was hybridized with the LSSVM and the seasonal index adjustment to solve this problem. In order to evaluate the forecasting performance of hybrid model, two samples of monthly electricity consumption of China and the United States were employed, besides several different models were applied to forecast the two empirical time series. The results of the two samples all show that, for seasonal data, the adjusted model with seasonal indexes has better forecasting performance. The forecasting performance is better than the models without seasonal indexes. The fruit fly optimized LSSVM model outperforms other alternative models. In other words, the proposed hybrid model is a feasible method for the electricity consumption forecasting.

Dislocation parameters of Gonghe earthquake jointly inferred by using genetic algorithms and least squares method

The Second Crustal Deformation Monitoring Center, China Seismological Bureau, has detected a marked uplift associated with the Gonghe Ms=7.0 earthquake on April 26, 1990, Qinghai Province. From the observed vertical deformations and using a rectangular uniform slip model in a homogeneous elastic half space, we first employ genetic algorithms (GA) to infer the approximate global optimal solution, and further use least squares method to get more accurate global optimal solution by taking the approximate solution of GA as the initial parameters of least squares. The inversion results show that the causative fault of Gonghe Ms=7.0 earthquake is a right-lateral reverse fault with strike NW60°, dip SW and dip angle 37°, the coseismic fracture length, width and slip are 37 km, 6 km and 2.7 m respectively. Combination of GA and least squares algorithms is an effective joint inversion method, which could not only escape from local optimum of least squares, but also solve the slow convergence problem of GA after reaching adjacency of global optimal solution.

A Study of EM Algorithm as an Imputation Method: A Model-Based Simulation Study with Application to a Synthetic Compositional Data

Compositional data, such as relative information, is a crucial aspect of machine learning and other related fields. It is typically recorded as closed data or sums to a constant, like 100%. The statistical linear model is the most used technique for identifying hidden relationships between underlying random variables of interest. However, data quality is a significant challenge in machine learning, especially when missing data is present. The linear regression model is a commonly used statistical modeling technique used in various applications to find relationships between variables of interest. When estimating linear regression parameters which are useful for things like future prediction and partial effects analysis of independent variables, maximum likelihood estimation (MLE) is the method of choice. However, many datasets contain missing observations, which can lead to costly and time-consuming data recovery. To address this issue, the expectation-maximization (EM) algorithm has been suggested as a solution for situations including missing data. The EM algorithm repeatedly finds the best estimates of parameters in statistical models that depend on variables or data that have not been observed. This is called maximum likelihood or maximum a posteriori (MAP). Using the present estimate as input, the expectation (E) step constructs a log-likelihood function. Finding the parameters that maximize the anticipated log-likelihood, as determined in the E step, is the job of the maximization (M) phase. This study looked at how well the EM algorithm worked on a made-up compositional dataset with missing observations. It used both the robust least square version and ordinary least square regression techniques. The efficacy of the EM algorithm was compared with two alternative imputation techniques, k-Nearest Neighbor (k-NN) and mean imputation (), in terms of Aitchison distances and covariance.

NEW EFFICIENT ORDER-RECURSIVE LEAST-SQUARES ALGORITHMS

Order-recursive least-squares(ORLS)algorithms are applied to the prob-lems of estimation and identification of FIR or ARMA system parameters where a fixedset of input signal samples is available and the desired order of the underlying model isunknown.On the basis of several universal formulae for updating nonsymmetric projec-tion operators,this paper presents three kinds of LS algorithms,called nonsymmetric,symmetric and square root normalized fast ORLS algorithms,respectively.As to the au-thors’ knowledge,the first and the third have not been so far provided,and the second isone of those which have the lowest computational requirement.Several simplified versionsof the algorithms are also considered.

Modified Recursive Least Squares Algorithm with Variable Parameters and Resetting for Time-Varying System

Based on the idea of the set-membership identification,a modified recursive least squares algorithm with variable gain, variable forgetting factor and resetting is presented.The concept of the error tolerance level is proposed.The selection criteria of the error tolerance level are also given according to the min-max principle.The algorithm is particularly suitable for tracing time-varying systems and is similar in computational complexity to the standard recursive least squares algorithm.The superior performance of the algorithm is verified via simulation studies on a dynamic fermentation process.

PCR ALGORITHM FOR PARALLEL COMPUTING MINIMUM-NORM LEAST-SQUARES SOLUTION OF INCONSISTENT LINEAR EQUATIONS

This paper presents a new highly parallel algorithm for computing the minimum-norm least-squares solution of inconsistent linear equations Ax = b(A∈Rm×n,b∈R (A)). By this algorithm the solution x = A + b is obtained in T = n(log2m + log2(n - r + 1) + 5) + log2m + 1 steps with P=mn processors when m × 2(n - 1) and with P = 2n(n - 1) processors otherwise.

基于diamond-square算法的数字地形模型构建与三维可视化研究

数字地形模型(DTM)的构建与可视化在很多领域都有着重要的应用,文中基于OpenGL三维图形库及其工作原理,对三维真实感地形生成的基本过程进行详细剖析,采用diamond-square算法,对其过程进行优化处理,编程实现三维地形的模拟,并进行相关的纹理设置构造逼真的三维地形。

变种Camellia对Square攻击的安全性

讨论了Camellia1对Square攻击的安全性,并就FL/FL-1函数对Camellia与Camellia1抗Square攻击能力的影响进行了分析.结果表明Camellia1对Square攻击的安全性远大于Camellia,FL/FL-1函数中的比特循环移位运算对Camellia及Camellia1抗Square攻击的能力并无明显影响。

Neural Network inverse Adaptive Controller Based on Davidon Least Square

General neural network inverse adaptive controller has two flaws: the first is the slow convergence speed; the second is the invalidation to the non-minimum phase system. These defects limit the scope in which the neural network inverse adaptive controller is used. We employ Davidon least squares in training the multi-layer feedforward neural network used in approximating the inverse model of plant to expedite the convergence, and then through constructing the pseudo-plant, a neural network inverse adaptive controller is put forward which is still effective to the nonlinear non-minimum phase system. The simulation results show the validity of this scheme.

Orthogonal-Least-Squares Forward Selection for Parsimonious Modelling from Data

The objective of modelling from data is not that the model simply fits the training data well. Rather, the goodness of a model is characterized by its generalization capability, interpretability and ease for knowledge extraction. All these desired properties depend crucially on the ability to construct appropriate parsimonious models by the modelling process, and a basic principle in practical nonlinear data modelling is the parsimonious principle of ensuring the smallest possible model that explains the training data. There exists a vast amount of works in the area of sparse modelling, and a widely adopted approach is based on the linear-in-the-parameters data modelling that include the radial basis function network, the neurofuzzy network and all the sparse kernel modelling techniques. A well tested strategy for parsimonious modelling from data is the orthogonal least squares (OLS) algorithm for forward selection modelling, which is capable of constructing sparse models that generalise well. This contribution continues this theme and provides a unified framework for sparse modelling from data that includes regression and classification, which belong to supervised learning, and probability density function estimation, which is an unsupervised learning problem. The OLS forward selection method based on the leave-one-out test criteria is presented within this unified data-modelling framework. Examples from regression, classification and density estimation applications are used to illustrate the effectiveness of this generic parsimonious modelling approach from data.

Complex Least Squares Adjustment to Improve Tree Height Inversion Problem in PolInSAR

At present,the principal data processing methods involving complex observations are based on two strategies according to characteristics of the observation process,i.e.,step-by-step and direct resolution.However,these strategies have some limitations,e.g.they cannot consider statistical observation error information,redundant observations and so on.This paper applies least squares methods to complex data processing to extend surveying adjustment theory from real to complex number space.We compared the two adjustment criteria for a complex domain in a quantitative way.In order to understand the effectiveness of complex least squares,tree height inversion from PolInSAR data is taken as an example.We firstly established both a complex adjustment function model and a stochastic model for PolInSAR tree height inversion,and then applied the complex least squares method to estimate tree height.Results show that the complex least squares approach is reliable and outperforms other classic tree height retrieval methods;the method is simple and easy to implement.

Design of Radial Basis Function Network Using Adaptive Particle Swarm Optimization and Orthogonal Least Squares

This paper presents a two-level learning method for designing an optimal Radial Basis Function Network (RBFN) using Adaptive Velocity Update Relaxation Particle Swarm Optimization algorithm (AVURPSO) and Orthogonal Least Squares algorithm (OLS) called as OLS-AVURPSO method. The novelty is to develop an AVURPSO algorithm to form the hybrid OLS-AVURPSO method for designing an optimal RBFN. The proposed method at the upper level finds the global optimum of the spread factor parameter using AVURPSO while at the lower level automatically constructs the RBFN using OLS algorithm. Simulation results confirm that the RBFN is superior to Multilayered Perceptron Network (MLPN) in terms of network size and computing time. To demonstrate the effectiveness of proposed OLS-AVURPSO in the design of RBFN, the Mackey-Glass Chaotic Time-Series as an example is modeled by both MLPN and RBFN.

Separating iterative solution model of generalized nonlinear dynamic least squares for data processing in building of digital earth

Data coming from different sources have different types and temporal states. Relations between one type of data and another ones, or between data and unknown parameters are almost nonlinear. It is not accurate and reliable to process the data in building the digital earth with the classical least squares method or the method of the common nonlinear least squares. So a generalized nonlinear dynamic least squares method was put forward to process data in building the digital earth. A separating solution model and the iterative calculation method were used to solve the generalized nonlinear dynamic least squares problem. In fact, a complex problem can be separated and then solved by converting to two sub problems, each of which has a single variable. Therefore the dimension of unknown parameters can be reduced to its half, which simplifies the original high dimensional equations.