In computational science literature including, e.g., bioinformatics, computational statistics or machine learning, most published articles are devoted to the development of “new methods”, while comparison studies are generally appreciated by readers but surprisingly given poor consideration by many journals. This paper stresses the importance of neutral comparison studies for the objective evaluation of existing methods and the establishment of standards by drawing parallels with clinical research. The goal of the paper is twofold. Firstly, we present a survey of recent computational papers on supervised classification published in seven high-ranking computational science journals. The aim is to provide an up-to-date picture of current scientific practice with respect to the comparison of methods in both articles presenting new methods and articles focusing on the comparison study itself. Secondly, based on the results of our survey we critically discuss the necessity, impact and limitations of neutral comparison studies in computational sciences. We define three reasonable criteria a comparison study has to fulfill in order to be considered as neutral, and explicate general considerations on the individual components of a “tidy neutral comparison study”. R codes for completely replicating our statistical analyses and figures are available from the companion website http://www.ibe.med.uni-muenchen.de/organisation/mitarbeiter/020_professuren/boulesteix/plea2013.

Archetypal analysis has the aim to represent observations in a multivariate data set as convex combinations of extremal points. This approach was introduced by Cutler and Breiman (1994); they defined the concrete problem, laid out the theoretical foundations and presented an algorithm written in Fortran. In this paper we present the R package archetypes which is available on the Comprehensive R Archive Network. The package provides an implementation of the archetypal analysis algorithm within R and different exploratory tools to analyze the algorithm during its execution and its final result. The application of the package is demonstrated on two examples.

Exploratory search requires the system to assist the user in comprehending the information space and expressing evolving search intents for iterative exploration and retrieval of information. We introduce interactive intent modeling, a technique that models a user's evolving search intents and visualizes them as keywords for interaction. The user can provide feedback on the keywords, from which the system learns and visualizes an improved intent estimate and retrieves information. We report experiments comparing variants of a system implementing interactive intent modeling to a control system. Data comprising search logs, interaction logs, essay answers, and questionnaires indicate significant improvements in task performance, information retrieval performance over the session, information comprehension performance, and user experience. The improvements in retrieval effectiveness can be attributed to the intent modeling and the effect on users' task performance, breadth of information comprehension, and user experience are shown to be dependent on a richer visualization. Our results demonstrate the utility of combining interactive modeling of search intentions with interactive visualization of the models that can benefit both directing the exploratory search process and making sense of the information space. Our findings can help design personalized systems that support exploratory information seeking and discovery of novel information.