The Mean Angular Distance Among Objects and Its Relationships with Kohonen Artificial Neural Networks

Jorge F. Magallanes,* Jure Zupan,§ Darío Gomez, Silvia Reich, Laura Dawidowski, and Neva Groselj§
Comisin Nacional de Energa Atmica, Av. Gral, Paz 1499, San Martn - B1650KNA, Provincia de Buenos Aires, Argentina, Universidad de Buenos Aires, Ciudad Universitaria de Nuez, CP 1428, Capital Federal, Argentina, National Institute of Chemistry, Hajdrihova 19, SLO-1000 Ljubljana, Slovenia, and Universidad Nacional de Gral, San Martn, Calle Alem 3901, 1653 Villa Ballester Argentina
J. Chem. Inf. Comput. Sci., 2003, 43 (5), pp 1403–1411
DOI: 10.1021/ci034062v
Publication Date (Web): August 5, 2003
Copyright © 2003 American Chemical Society
*

 Corresponding author:  phone:  54-11-6772-7891; fax:  54 11 6722-7886; e-mail:  magallan@cnea.gov.ar.

,

 Comisión Nacional de Energía Atómica.

,

 Universidad de Buenos Aires.

,
§

 National Institute of Chemistry.

,

 Universidad Nacional de Gral, San Martín.

Abstract

This job refers to classification of multidimensional objects and Kohonen artificial neural networks. A new concept is introduced, called the mean angular distance among objects (MADO). Its value can be calculated as the cosine of the mean centered vectors between objects. It can be expressed in matrix form for any number of objects. The MADO allows us to interpret the final organization of the objects in a Kohonen map. Simulated examples demonstrate the relationship between MADO and Kohonen maps and show a way to take advantage of the information present in both of them. Finally, a real analytical chemistry case is analyzed as an application on a big data set of an air quality monitoring campaign. It is possible to discover in it a subgroup of objects with different characteristics than those of the general trend. This subgroup is linked to the existence of an unidentified SO2 source that, a priori, has not been taken into account.

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History

  • Published In Issue September 22, 2003
  • Received April 3, 2003

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