Using graphics calculators and spreadsheets in chemistry : solving equilibrium problems

Discusses tabular and graphical approaches to equilibrium calculations.

Dynamic feature selection for spam filtering using support vector machine

Spam is commonly defined as unsolicited email messages and the goal of spam filtering is to differentiate spam from legitimate email. Much work have been done to filter spam from legitimate emails using machine learning algorithm and substantial performance has been achieved with some amount of false positive (FP) tradeoffs. In this paper, architecture of spam filtering has been proposed based on support vector machine (SVM,) which will get better accuracy by reducing FP problems. In this architecture an innovative technique for feature selection called dynamic feature selection (DFS) has been proposed which is enhanced the overall performance of the architecture with reduction of FP problems. The experimental result shows that the proposed technique gives better performance compare to similar existing techniques.

A meta-learning approach to automatic kernel selection for support vector machines

Appropriate choice of a kernel is the most important ingredient of the kernel-based learning methods such as support vector machine (SVM). Automatic kernel selection is a key issue given the number of kernels available, and the current trial-and-error nature of selecting the best kernel for a given problem. This paper introduces a new method for automatic kernel selection, with empirical results based on classification. The empirical study has been conducted among five kernels with 112 different classification problems, using the popular kernel based statistical learning algorithm SVM. We evaluate the kernels’ performance in terms of accuracy measures. We then focus on answering the question: which kernel is best suited to which type of classification problem? Our meta-learning methodology involves measuring the problem characteristics using classical, distance and distribution-based statistical information. We then combine these measures with the empirical results to present a rule-based method to select the most appropriate kernel for a classification problem. The rules are generated by the decision tree algorithm C5.0 and are evaluated with 10 fold cross validation. All generated rules offer high accuracy ratings.

Improved support vector machine generalization using normalized input space

Data pre-processing always plays a key role in learning algorithm performance. In this research we consider data pre-processing by normalization for Support Vector Machines (SVMs). We examine the normalization affect across 112 classification problems with SVM using the rbf kernel. We observe a significant classification improvement due to normalization. Finally we suggest a rule based method to find when normalization is necessary for a specific classification problem. The best normalization method is also automatically selected by SVM itself.

Z-pin bridging in composite laminates and some related problems

This paper reviews our recent studies on z-pinning of composite laminates. The contents include theoretical, numerical and experimental studies on the Mode I and Mode II z-pinned delamination growth and the corresponding bridging laws. Test methods to evaluate the z-pin bridging law will be discussed. Comparisons of experimental results and theoretical predictions for the z-pinned double-cantilever-beam (DCB) subjected to mode I delamination with a pre-determined bridging law are provided to confirm the reliability of the methods. A parametric study by finite element method (FEM) is presented for both Mode I and Mode II z-pinned delaminations. In addition, the effect of loading rate on z-pinned DCB delamination and the bridging effect of z-pinning on the buckling of composite laminates are also given.

A novel monotonic fixed-point algorithm for l1-regularized least square vector and matrix problem

Least square problem with l₁ regularization has been proposed as a promising method for sparse signal reconstruction (e.g., basis pursuit de-noising and compressed sensing) and feature selection (e.g., the Lasso algorithm) in signal processing, statistics, and related fields. These problems can be cast as l₁-regularized least-square program (LSP). In this paper, we propose a novel monotonic fixed point method to solve large-scale l₁-regularized LSP. And we also prove the stability and convergence of the proposed method. Furthermore we generalize this method to least square matrix problem and apply it in nonnegative matrix factorization (NMF). The method is illustrated on sparse signal reconstruction, partner recognition and blind source separation problems, and the method tends to convergent faster and sparser than other l₁-regularized algorithms.

Hypothesis verification using parametric models and active vision strategies

This paper proposes a methodology for determining the shape and ultimately the functionality of objects from intensity images; 2D analytic functions are used to track 3D features during known camera motions. Three analytic functions are proposed that describe the relationship between pairs of points that are either stationary or moving depending on whether the points are on occluding boundaries or otherwise. Many of the problems of correspondence are reduced by using foveation, known camera motion, and active vision methods. The three analytic functions are shown to enable hypothesis refinement of the functionality of a number of 3D objects without full 3D information about the shape.

A new approach based on support vector machine for solving stochastic optimization

Making decision usually occurs in the state of being uncertain. These kinds of problems often expresses in a formula as optimization problems. It is desire for decision makers to find a solution for optimization problems. Typically, solving optimization problems in uncertain environment is difficult. This paper proposes a new hybrid intelligent algorithm to solve a kind of stochastic optimization i.e. dependent chance programming (DCP) model. In order to speed up the solution process, we used support vector machine regression (SVM regression) to approximate chance functions which is the probability of a sequence of uncertain event occurs based on the training data generated by the stochastic simulation. The proposed algorithm consists of three steps: (1) generate data to estimate the objective function, (2) utilize SVM regression to reveal a trend hidden in the data (3) apply genetic algorithm (GA) based on SVM regression to obtain an estimation for the chance function. Numerical example is presented to show the ability of algorithm in terms of time-consuming and precision.

Prediction interval estimation for electricity price and demand using support vector machines

Uncertainty is known to be a concomitant factor of almost all the real world commodities such as oil prices, stock prices, sales and demand of products. As a consequence, forecasting problems are becoming more and more challenging and ridden with uncertainty. Such uncertainties are generally quantified by statistical tools such as prediction intervals (Pis). Pis quantify the uncertainty related to forecasts by estimating the ranges of the targeted quantities. Pis generated by traditional neural network based approaches are limited by high computational burden and impractical assumptions about the distribution of the data. A novel technique for constructing high quality Pis using support vector machines (SVMs) is being proposed in this paper. The proposed technique directly estimates the upper and lower bounds of the PI in a short time and without any assumptions about the data distribution. The SVM parameters are tuned using particle swarm optimization technique by minimization of a modified Pi-based objective function. Electricity price and demand data of the Ontario electricity market is used to validate the performance of the proposed technique. Several case studies for different months indicate the superior performance of the proposed method in terms of high quality PI generation and shorter computational times.

Parametric investigation of batch adsorption of proteins onto polymeric particles

Background: Effective bimolecular adsorption of proteins onto solid matrices is characterized by in-depth understanding of the biophysical features essential to optimize the adsorption performance. Results: The adsorption of bovine serum albumin (BSA) onto anion-exchange Q-sepharose solid particulate support was investigated in batch adsorption experiments. Adsorption kinetics and isotherms were developed as a function of key industrially relevant parameters such as polymer loading, stirring speed, buffer pH, protein concentration and the state of protein dispersion (solid/aqueous) in order to optimize binding performance and adsorption capacity. Experimental results showed that the first order rate constant is higher at higher stirring speed, higher polymer loading, and under alkaline conditions, with a corresponding increase in equilibrium adsorption capacity. Increasing the stirring speed and using aqueous dispersion protein system increased the adsorption rate, but the maximum protein adsorption was unaffected. Regardless of the stirring speed, the adsorption capacity of the polymer was 2.8 mg/ml. However, doubling the polymer loading increased the adsorption capacity to 9.4 mg/ml. Conclusions: The result demonstrates that there exists a minimum amount of polymer loading required to achieve maximum protein adsorption capacity under specific process conditions.