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

Designing Semantic Kernels as Implicit Superconcept Expansions

Recently, there has been an increased interest in the exploitation of background knowledge in the context of text mining tasks, especially text classification. At the same time, kernel-based learning algorithms like Support Vector Machines have become a dominant paradigm in the text mining community. Amongst other reasons, this is also due to their capability to achieve more accurate learning results by replacing standard linear kernel (bag-of-words) with customized kernel functions which incorporate additional apriori knowledge. In this paper we propose a new approach to the design of ‘semantic smoothing kernels’ by means of an implicit superconcept expansion using well-known measures of term similarity. The experimental evaluation on two different datasets indicates that our approach consistently improves performance in situations where (i) training data is scarce or (ii) the bag-ofwords representation is too sparse to build stable models when using the linear kernel

Learning sentiment from students’ feedback for real-time interventions in classrooms

Knowledge about users sentiments can be used for a variety of adaptation purposes. In the case of teaching, knowledge about students sentiments can be used to address problems like confusion and boredom which affect students engagement. For this purpose, we looked at several methods that could be used for learning sentiment from students feedback. Thus, Naive Bayes, Complement Naive Bayes (CNB), Maximum Entropy and Support Vector Machine (SVM) were trained using real students' feedback. Two classifiers stand out as better at learning sentiment, with SVM resulting in the highest accuracy at 94%, followed by CNB at 84%. We also experimented with the use of the neutral class and the results indicated that, generally, classifiers perform better when the neutral class is excluded