Measuring the (dis)similarity of molecules is important for many cheminformatics applications like compound ranking, clustering, and property prediction. In this work, we focus on real-valued vector representations of molecules (as opposed to the binary spaces of fingerprints). We demonstrate the influence which the choice of (dis)similarity measure can have on results, and provide recommendati...

A new evolutionary technique for evolving mathematical expressions called Mathematical Expressions Evolver (MEXE) is proposed in this paper. Each MEXE chromosome is a string of operands and operators. Each subexpressions encoded in a chromosome is considered a potential solution of the problem. The best of these expressions is chosen to represent the chromosome. In this way variable length expr...

The analysis of discourse is the study of language in communication. Such a study involves contextual considerations and so it necessarily belongs to that area of linguistics called pragmatics. Pragmatics is concerned with the threetermed relation which unites linguistic forms and the communicative functions; these forms are capable of serving with the contexts or settings in which given lingui...

This paper presents some experiences in the exploitation of a database interface development architecture in which the interface is implemented using the facilities of the database. It is shown how novel interfaces, specifically a multiparadigm query interface and a debugger for an active rule system, can benefit from and exploit the uniform representation of interface and database system conce...

Recent studies have suggested that educators should avoid concrete instantiations when the goal is to promote transfer. However, concrete instantiations may benefit transfer in the long run, particularly if they are “faded” into more abstract instantiations. Undergraduates were randomly assigned to learn a mathematical concept in one of three conditions: generic, in which the concept was instan...

We investigate the relation between two quantitative measures characterizing short term memory in input driven dynamical systems, namely the short term memory capacity (MC) [3] and the Fisher memory curve (FMC) [2]. We show that even though MC and FMC map the memory structure of the system under investigation from two quite different perspectives, for linear input driven dynamical systems they ...

In this project, we introduce some new algorithms that build an Image Annotation Engine via machine learning. We also consider new methods to improve such algorithms. Numerical experiments that provide empirical support to the theory is provided.

The DØ experiment is facing many exciting challenges providing a computing environment for its worldwide collaboration. Transparent access to data for processing and analysis has been enabled through deployment of its SAM system to collaborating sites and additional functionality will be provided soon with SAMGrid components. In order to maximize access to global storage, computational and inte...