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Magallanes, J.F.; Zupan, J.; Gomez, D.; Reich, S.; Dawidowski, L.; Groselj, N. "The Mean Angular Distance Among Objects and its Relationships with Kohonen Artificial Neural Networks" (2003) Journal of Chemical Information and Computer Sciences. 43(5):1403-1411
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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.

Registro:

Documento: Artículo
Título:The Mean Angular Distance Among Objects and its Relationships with Kohonen Artificial Neural Networks
Autor:Magallanes, J.F.; Zupan, J.; Gomez, D.; Reich, S.; Dawidowski, L.; Groselj, N.
Filiación:Comn. Nac. de Ener. Atómica, Av. Gral, Paz 1499, B1650KNA, Prov. de Buenos Aires, Argentina
Universidad de Buenos Aires, Ciudad Universitaria de Nuñez, CP 1428, Capital Federal, Argentina
National Institute of Chemistry, Hajdrihova 19, SLO-1000 Ljubljana, Slovenia
Universidad Nacional de Gral, San Martín, Calle Alem 3901, 1653 Villa Ballester, Argentina
Palabras clave:Air quality; Angle measurement; Chemical analysis; Sulfur dioxide; Vectors; Data sets; Neural networks
Año:2003
Volumen:43
Número:5
Página de inicio:1403
Página de fin:1411
DOI: http://dx.doi.org/10.1021/ci034062v
Título revista:Journal of Chemical Information and Computer Sciences
Título revista abreviado:J. Chem. Inf. Comput. Sci.
ISSN:00952338
CODEN:JCISD
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00952338_v43_n5_p1403_Magallanes

Referencias:

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  • Roweis, S.T., Saul, L.K., Nonlinear Dimensionality Reduction by Locally Linear Embedding (2000) Science, 290, pp. 2323-2326
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  • Zupan, J., Gasteiger, J., (1999) Neural Networks in Chemistry and Drug Design, 2nd Ed., , Wiley-VCH; Weinheim, Chapter 6
  • Kohonen, T., (1995) Self-Organizing Maps, , Springer-Verlag; Berlin
  • Ruisanchez, I., Potokar, P., Zupan, J., Classification of Energy Dispersion X-ray Spectra of Mineralogical samples by Artificial Neural Networks (1996) J. Chem. Inf. Comput. Sci., 36, pp. 214-220
  • Magallanes, J., Vazquez, C., Automatic Classification of Steels by Processing Energy-Dispersive X-ray Spectra with Artificial neural Networks (1998) J. Chem. Inf. Comput. Sci., 38, pp. 605-609
  • Massart, D.L., Vandeginste, B.G.M., Buydens, L.M.C., De Jong, S., Lewi, P.J., Smeyers-Verbeke, J., (1997) Handbook of Chemometrics and Qualimetrics. Part B, p. 47. , Eisevier; Amsterdam
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Citas:

---------- APA ----------
Magallanes, J.F., Zupan, J., Gomez, D., Reich, S., Dawidowski, L. & Groselj, N. (2003) . The Mean Angular Distance Among Objects and its Relationships with Kohonen Artificial Neural Networks. Journal of Chemical Information and Computer Sciences, 43(5), 1403-1411.
http://dx.doi.org/10.1021/ci034062v
---------- CHICAGO ----------
Magallanes, J.F., Zupan, J., Gomez, D., Reich, S., Dawidowski, L., Groselj, N. "The Mean Angular Distance Among Objects and its Relationships with Kohonen Artificial Neural Networks" . Journal of Chemical Information and Computer Sciences 43, no. 5 (2003) : 1403-1411.
http://dx.doi.org/10.1021/ci034062v
---------- MLA ----------
Magallanes, J.F., Zupan, J., Gomez, D., Reich, S., Dawidowski, L., Groselj, N. "The Mean Angular Distance Among Objects and its Relationships with Kohonen Artificial Neural Networks" . Journal of Chemical Information and Computer Sciences, vol. 43, no. 5, 2003, pp. 1403-1411.
http://dx.doi.org/10.1021/ci034062v
---------- VANCOUVER ----------
Magallanes, J.F., Zupan, J., Gomez, D., Reich, S., Dawidowski, L., Groselj, N. The Mean Angular Distance Among Objects and its Relationships with Kohonen Artificial Neural Networks. J. Chem. Inf. Comput. Sci. 2003;43(5):1403-1411.
http://dx.doi.org/10.1021/ci034062v