Inductive queries for a drug designing robot scientist

It is increasingly clear that machine learning algorithms need to be integrated in an iterative scientific discovery loop, in which data is queried repeatedly by means of inductive queries and where the computer provides guidance to the experiments that are being performed. In this chapter, we summarise several key challenges in achieving this integration of machine learning and data mining algorithms in methods for the discovery of Quantitative Structure Activity Relationships (QSARs). We introduce the concept of a robot scientist, in which all steps of the discovery process are automated; we discuss the representation of molecular data such that knowledge discovery tools can analyse it, and we discuss the adaptation of machine learning and data mining algorithms to guide QSAR experiments

Image mining: issues, frameworks and techniques

[Abstract]: Advances in image acquisition and storage technology have led to tremendous growth in significantly large and detailed image databases. These images, if analyzed, can reveal useful information to the human users. Image mining deals with the extraction of implicit knowledge, image data relationship, or other patterns not explicitly stored in the images. Image mining is more than just an extension of data mining to image domain. It is an interdisciplinary endeavor that draws upon expertise in computer vision, image processing, image retrieval, data mining, machine learning, database, and artificial intelligence. Despite the development of many applications and algorithms in the individual research fields cited above, research in image mining is still in its infancy. In this paper, we will examine the research issues in image mining, current developments in image mining, particularly, image mining frameworks, state-of-the-art techniques and systems. We will also identify some future research directions for image mining at the end of this paper

Data mining technology for the evaluation of web-based teaching and learning systems

Instructional design for Web-based teaching and learning environments causes problems for two reasons. Firstly, virtual forms of teaching and learning result in little or no direct contact between instructor and learner, making the evaluation of course effectiveness difficult. Secondly, the Web as a relatively new teaching and learning medium still requires more research into learning processes with this technology. We propose data mining – techniques to discover and extract knowledge from a database – as a tool to support the analysis of student learning processes and the evaluation of the effectiveness and usability of Web-based courses. We present and illustrate different data mining techniques for the evaluation of Web-based teaching and learning systems

Visual and computational analysis of structure-activity relationships in high-throughput screening data

Novel analytic methods are required to assimilate the large volumes of structural and bioassay data generated by combinatorial chemistry and high-throughput screening programmes in the pharmaceutical and agrochemical industries. This paper reviews recent work in visualisation and data mining that can be used to develop structure-activity relationships from such chemical/biological datasets

Integration of decision support systems to improve decision support performance

Decision support system (DSS) is a well-established research and development area. Traditional isolated, stand-alone DSS has been recently facing new challenges. In order to improve the performance of DSS to meet the challenges, research has been actively carried out to develop integrated decision support systems (IDSS). This paper reviews the current research efforts with regard to the development of IDSS. The focus of the paper is on the integration aspect for IDSS through multiple perspectives, and the technologies that support this integration. More than 100 papers and software systems are discussed. Current research efforts and the development status of IDSS are explained, compared and classified. In addition, future trends and challenges in integration are outlined. The paper concludes that by addressing integration, better support will be provided to decision makers, with the expectation of both better decisions and improved decision making processes

Rule-based system to detect energy efficiency anomalies in smart buildings, a data mining approach

The rapidly growing world energy use already has concerns over the exhaustion of energy resources andheavy environmental impacts. As a result of these concerns, a trend of green and smart cities has beenincreasing. To respond to this increasing trend of smart cities with buildings every time more complex,in this paper we have proposed a new method to solve energy inefficiencies detection problem in smartbuildings. This solution is based on a rule-based system developed through data mining techniques andapplying the knowledge of energy efficiency experts. A set of useful energy efficiency indicators is alsoproposed to detect anomalies. The data mining system is developed through the knowledge extracted bya full set of building sensors. So, the results of this process provide a set of rules that are used as a partof a decision support system for the optimisation of energy consumption and the detection of anomaliesin smart buildings.Comisión Europea FP7-28522