Search results for "Data type"
showing 10 items of 1183 documents
Investigation of Simulated Trading — A multi agent based trading system for optimization purposes
2010
Abstract Some years ago, Bachem, Hochstattler, and Malich proposed a heuristic algorithm called Simulated Trading for the optimization of vehicle routing problems. Computational agents place buy-orders and sell-orders for customers to be handled at a virtual financial market, the prices of the orders depending on the costs of inserting the customer in the tour or for his removal. According to a proposed rule set, the financial market creates a buy-and-sell graph for the various orders in the order book, intending to optimize the overall system. Here I present a thorough investigation for the application of this algorithm to the traveling salesman problem.
A tabu search algorithm for assigning teachers to courses
2002
In this paper we deal with the problem of assigning teachers to courses in a secondary school. The problem appears when a timetable is to be built and the teaching assignments are not fixed. We have developed a tabu search algorithm to solve the problem. The parameters involved in the algorithm have been estimated by using multiple regression techniques. The computational results, obtained on a set of Spanish secondary schools, show that the solutions obtained by this automatic procedure can be favourably compared with the solutions proposed by the experts.
Overlap and diversity in antimicrobial peptide databases: Compiling a non-redundant set of sequences
2015
Abstract Motivation: The large variety of antimicrobial peptide (AMP) databases developed to date are characterized by a substantial overlap of data and similarity of sequences. Our goals are to analyze the levels of redundancy for all available AMP databases and use this information to build a new non-redundant sequence database. For this purpose, a new software tool is introduced. Results: A comparative study of 25 AMP databases reveals the overlap and diversity among them and the internal diversity within each database. The overlap analysis shows that only one database (Peptaibol) contains exclusive data, not present in any other, whereas all sequences in the LAMP_Patent database are inc…
Segmented relationships to model erosion of regression effect in Cox regression
2010
In this article we propose a parsimonious parameterisation to model the so-called erosion of the covariate effect in the Cox model, namely a covariate effect approaching to zero as the follow-up time increases. The proposed parameterisation is based on the segmented relationship where proper constraints are set to accomodate for the erosion. Relevant hypothesis testing is discussed. The approach is illustrated on two historical datasets in the survival analysis literature, and some simulation studies are presented to show how the proposed framework leads to a test for a global effect with good power as compared with alternative procedures. Finally, possible generalisations are also present…
An algebraic representation of Steiner triple systems of order 13
2021
Abstract In this paper we construct an incidence structure isomorphic to a Steiner triple system of order 13 by defining a set B of twentysix vectors in the 13-dimensional vector space V = GF ( 5 ) 13 , with the property that there exist precisely thirteen 6-subsets of B whose elements sum up to zero in V , which can also be characterized as the intersections of B with thirteen linear hyperplanes of V .
Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification
2008
The recently introduced non-stochastic and stochastic bond-based linear indices are been generalized to codify chemical structure information for chiral drugs, making use of a trigonometric 3D-chirality correction factor. These improved modified descriptors are applied to several well-known data sets to validate each one of them. Particularly, Cramer's steroid data set has become a benchmark for the assessment of novel quantitative structure activity relationship methods. This data set has been used by several researchers using 3D-QSAR approaches such as Comparative Molecular Field Analysis, Molecular Quantum Similarity Measures, Comparative Molecular Moment Analysis, E-state, Mapping Prope…
Set-valued and fuzzy stochastic differential equations driven by semimartingales
2013
Abstract In the paper we present set-valued and fuzzy stochastic integrals with respect to semimartingale integrators as well as their main properties. Then we study the existence of solutions to set-valued and fuzzy-set-valued stochastic differential equations driven by semimartingales. The stability of solutions is also established.
A convolutional neural network for virtual screening of molecular fingerprints
2019
In the last few years, Deep Learning (DL) gained more and more impact on drug design because it allows a huge increase of the prediction accuracy in many stages of such a complex process. In this paper a Virtual Screening (VS) procedure based on Convolutional Neural Networks (CNN) is presented, that is aimed at classifying a set of candidate compounds as regards their biological activity on a particular target protein. The model has been trained on a dataset of active/inactive compounds with respect to the Cyclin-Dependent Kinase 1 (CDK1) a very important protein family, which is heavily involved in regulating the cell cycle. One qualifying point of the proposed approach is the use of molec…
Measuring diversity. A review and an empirical analysis
2021
Abstract Maximum diversity problems arise in many practical settings from facility location to social networks, and constitute an important class of NP-hard problems in combinatorial optimization. There has been a growing interest in these problems in recent years, and different mathematical programming models have been proposed to capture the notion of diversity. They basically consist of selecting a subset of elements of a given set in such a way that a measure based on their pairwise distances is maximized to achieve dispersion or representativeness. In this paper, we perform an exhaustive comparison of four mathematical models to achieve diversity over the public domain library MDPLIB, …
Complex Detection in Protein-Protein Interaction Networks: A Compact Overview for Researchers and Practitioners
2012
The availability of large volumes of protein-protein interaction data has allowed the study of biological networks to unveil the complex structure and organization in the cell. It has been recognized by biologists that proteins interacting with each other often participate in the same biological processes, and that protein modules may be often associated with specific biological functions. Thus the detection of protein complexes is an important research problem in systems biology. In this review, recent graph-based approaches to clustering protein interaction networks are described and classified with respect to common peculiarities. The goal is that of providing a useful guide and referenc…