Designing algorithms to aid discovery by chemical robots

Recently, automated robotic systems have become very efficient, thanks to improved coupling between sensor systems and algorithms, of which the latter have been gaining significance thanks to the increase in computing power over the past few decades. However, intelligent automated chemistry platforms for discovery orientated tasks need to be able to cope with the unknown, which is a profoundly hard problem. In this Outlook, we describe how recent advances in the design and application of algorithms, coupled with the increased amount of chemical data available, and automation and control systems may allow more productive chemical research and the development of chemical robots able to target discovery. This is shown through examples of workflow and data processing with automation and control, and through the use of both well-used and cutting-edge algorithms illustrated using recent studies in chemistry. Finally, several algorithms are presented in relation to chemical robots and chemical intelligence for knowledge discovery

A generic optimising feature extraction method using multiobjective genetic programming

In this paper, we present a generic, optimising feature extraction method using multiobjective genetic programming. We re-examine the feature extraction problem and show that effective feature extraction can significantly enhance the performance of pattern recognition systems with simple classifiers. A framework is presented to evolve optimised feature extractors that transform an input pattern space into a decision space in which maximal class separability is obtained. We have applied this method to real world datasets from the UCI Machine Learning and StatLog databases to verify our approach and compare our proposed method with other reported results. We conclude that our algorithm is able to produce classifiers of superior (or equivalent) performance to the conventional classifiers examined, suggesting removal of the need to exhaustively evaluate a large family of conventional classifiers on any new problem. (C) 2010 Elsevier B.V. All rights reserved

A survey on utilization of data mining approaches for dermatological (skin) diseases prediction

Due to recent technology advances, large volumes of medical data is obtained. These data contain valuable information. Therefore data mining techniques can be used to extract useful patterns. This paper is intended to introduce data mining and its various techniques and a survey of the available literature on medical data mining. We emphasize mainly on the application of data mining on skin diseases. A categorization has been provided based on the different data mining techniques. The utility of the various data mining methodologies is highlighted. Generally association mining is suitable for extracting rules. It has been used especially in cancer diagnosis. Classification is a robust method in medical mining. In this paper, we have summarized the different uses of classification in dermatology. It is one of the most important methods for diagnosis of erythemato-squamous diseases. There are different methods like Neural Networks, Genetic Algorithms and fuzzy classifiaction in this topic. Clustering is a useful method in medical images mining. The purpose of clustering techniques is to find a structure for the given data by finding similarities between data according to data characteristics. Clustering has some applications in dermatology. Besides introducing different mining methods, we have investigated some challenges which exist in mining skin data

Application of Particle Swarm Optimization to Formative E-Assessment in Project Management

The current paper describes the application of Particle Swarm Optimization algorithm to the formative e-assessment problem in project management. The proposed approach resolves the issue of personalization, by taking into account, when selecting the item tests in an e-assessment, the following elements: the ability level of the user, the targeted difficulty of the test and the learning objectives, represented by project management concepts which have to be checked. The e-assessment tool in which the Particle Swarm Optimization algorithm is integrated is also presented. Experimental results and comparison with other algorithms used in item tests selection prove the suitability of the proposed approach to the formative e-assessment domain. The study is presented in the framework of other evolutionary and genetic algorithms applied in e-education.Particle Swarm Optimization, Genetic Algorithms, Evolutionary Algorithms, Formative E-assessment, E-education

DATA MINING: A SEGMENTATION ANALYSIS OF U.S. GROCERY SHOPPERS

Consumers make choices about where to shop based on their preferences for a shopping environment and experience as well as the selection of products at a particular store. This study illustrates how retail firms and marketing analysts can utilize data mining techniques to better understand customer profiles and behavior. Among the key areas where data mining can produce new knowledge is the segmentation of customer data bases according to demographics, buying patterns, geographics, attitudes, and other variables. This paper builds profiles of grocery shoppers based on their preferences for 33 retail grocery store characteristics. The data are from a representative, nationwide sample of 900 supermarket shoppers collected in 1999. Six customer profiles are found to exist, including (1) "Time Pressed Meat Eaters", (2) "Back to Nature Shoppers", (3) "Discriminating Leisure Shoppers", (4) "No Nonsense Shoppers", (5) "The One Stop Socialites", and (6) "Middle of the Road Shoppers". Each of the customer profiles is described with respect to the underlying demographics and income. Consumer shopping segments cut across most demographic groups but are somewhat correlated with income. Hierarchical lists of preferences reveal that low price is not among the top five most important store characteristics. Experience and preferences for internet shopping shows that of the 44% who have access to the internet, only 3% had used it to order food.Consumer/Household Economics, Food Consumption/Nutrition/Food Safety,

Investigating Decision Support Techniques for Automating Cloud Service Selection

The compass of Cloud infrastructure services advances steadily leaving users in the agony of choice. To be able to select the best mix of service offering from an abundance of possibilities, users must consider complex dependencies and heterogeneous sets of criteria. Therefore, we present a PhD thesis proposal on investigating an intelligent decision support system for selecting Cloud based infrastructure services (e.g. storage, network, CPU).Comment: Accepted by IEEE Cloudcom 2012 - PhD consortium trac

Fuzzy clustering of univariate and multivariate time series by genetic multiobjective optimization

Given a set of time series, it is of interest to discover subsets that share similar properties. For instance, this may be useful for identifying and estimating a single model that may fit conveniently several time series, instead of performing the usual identification and estimation steps for each one. On the other hand time series in the same cluster are related with respect to the measures assumed for cluster analysis and are suitable for building multivariate time series models. Though many approaches to clustering time series exist, in this view the most effective method seems to have to rely on choosing some features relevant for the problem at hand and seeking for clusters according to their measurements, for instance the autoregressive coe±cients, spectral measures or the eigenvectors of the covariance matrix. Some new indexes based on goodnessof-fit criteria will be proposed in this paper for fuzzy clustering of multivariate time series. A general purpose fuzzy clustering algorithm may be used to estimate the proper cluster structure according to some internal criteria of cluster validity. Such indexes are known to measure actually definite often conflicting cluster properties, compactness or connectedness, for instance, or distribution, orientation, size and shape. It is argued that the multiobjective optimization supported by genetic algorithms is a most effective choice in such a di±cult context. In this paper we use the Xie-Beni index and the C-means functional as objective functions to evaluate the cluster validity in a multiobjective optimization framework. The concept of Pareto optimality in multiobjective genetic algorithms is used to evolve a set of potential solutions towards a set of optimal non-dominated solutions. Genetic algorithms are well suited for implementing di±cult optimization problems where objective functions do not usually have good mathematical properties such as continuity, differentiability or convexity. In addition the genetic algorithms, as population based methods, may yield a complete Pareto front at each step of the iterative evolutionary procedure. The method is illustrated by means of a set of real data and an artificial multivariate time series data set.Fuzzy clustering, Internal criteria of cluster validity, Genetic algorithms, Multiobjective optimization, Time series, Pareto optimality