Growing neural networks for a multivariate calibration and variable selection of time-resolved measurements

Analytica Chimica Acta

Volumn 490, Issue 1-2, 2003, Pages 71-83

  Dieterle, Frank ^a   Busche, Stefan ^a   Gauglitz, Günter ^a  

^a UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

Growing neural networks; Neural network topology; Refrigerants; Time resolved measurements; Variable selection

Indexed keywords

ALGORITHMS; CALIBRATION; SURFACE PLASMON RESONANCE; TOPOLOGY;

MULTIVARIATE CALIBRATION;

NEURAL NETWORKS;

ALGORITHM; ARTIFICIAL NEURAL NETWORK; CALIBRATION; CONFERENCE PAPER; MULTIVARIATE ANALYSIS; NERVE CELL; PREDICTION; PRIORITY JOURNAL; REPRODUCIBILITY;

EID: 0142071011     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0003-2670(03)00338-6     Document Type: Conference Paper

References (74)

1. Zupan J., Gasteiger J. Anal. Chim. Acta. 248:1991;1-30.
2. Kateman G. Chemom. Intell. Lab. Syst. 19:1993;135-142.
3. Lavine B.K. Anal. Chem. 70:1998;209R-228R.
4. Lavine B.K. Anal. Chem. 72:2000;91R-97R.
5. J. Zupan, J. Gasteiger, Neural networks in chemistry and drug design, second ed., Wiley-VCH, Weinheim, 1999.
6. Despagne F., Massart D.L. Analyst. 123:1998;157R-178R.
7. Bos M., Bos A., van der Linden W.E. Analyst. 118:1993;323-328.
8. Blank T., Brown S.D. Anal. Chem. 65:1993;3081-3089.
9. Gemperline P.J., Long J.R. Anal. Chem. 63:1991;2313-2323.
10. Borggaard C., Thodberg H.H. Anal. Chem. 64:1992;545-551.
11. Dieterle F., Nopper D., Gauglitz G. Fresenius J. Anal. Chem. 370:2001;723-730.
12. Hornik K. Neural Netw. 6:1993;251-257.
13. R. Hecht-Nielsen, in: Proceedings of the IEEE International Joint Conference on Neural Networks, vol. 3, Washington, DC, 1989, pp. 11-14.
14. Tchistiakov V., Ruckebusch C., Duponchel L., Huvenne J.-P., Legrand P. Chemom. Intell. Lab. Syst. 54:2000;93-106.
15. A.J. Miller (Ed.), Subset Selection in Regression, Chapman & Hall, London, 1990.
16. S. Chatterjee, B. Proce, Regression Analysis by Example, Wiley, New York, 1977.
17. Selwood D.L., Livingstone D.J., Comley J.C., O'Dowd B.A., Hudson A.T., Jackson P., Jandu K.S., Rose V.S., Stables J.N. J. Med. Chem. 33:1990;136-142.
18. Härchner U., Kalivas J.H. Anal. Chim. Acta. 311:1995;1-13.
19. Lucasius C.B., Bekers M.L.M., Kateman G. Anal. Chim. Acta. 286:1994;135-153.
20. Mitchell B.E., Jurs P.C. J. Chem. Inf. Comput. Sci. 37:1997;538-547.
21. McClelland H.E., Jurs P.C. J. Chem. Inf. Comput. Sci. 40:2000;967-975.
22. Mattioni B.E., Jurs P.C. J. Chem. Inf. Comput. Sci. 42:2002;232-240.
23. Leardi R. J. Chemom. 15:2001;559-569.
24. Jouan-Rimbaud D., Massart D.L., Leardi R., de Noord O.E. Anal. Chem. 67:1995;4295-4301.
25. Leardi R., González A.L. Chemom. Intell. Lab. Syst. 41:1998;195-207.
26. Hasegawa K., Miyashita Y., Funatsu K. J. Chem. Inf. Comput. Sci. 37:1997;306-310.
27. Smith B.M., Gemperline P.J. Anal. Chim. Acta. 423:2000;167-177.
28. So S.S., Karplus M. J. Med. Chem. 39:1996;5246-5256.
29. Handels H., Roβ T., Kreusch J., Wolff H.H., Pöppl S.J. Art. Intell. Med. 16:1999;283-297.
30. Yoshida H., Leardi R., Funatsu K., Varmuza K. Anal. Chim. Acta. 446:2001;485-494.
31. Licic B., Trinajstic N. J. Chem. Inf. Comput. Sci. 39:1999;121-132.
32. Borggaard C. Spectrosc. Eur. 6:1994;24-27.
33. Walczak B., Wegscheider W. Anal. Chim. Acta. 283:1993;508-517.
34. Ventura S., Silva M., Pérez-Bendito D., Hervás C. J. Chem. Inf. Comput. Sci. 37:1997;287-291.
35. Brown C.W., Lo S. Anal. Chem. 70:1998;2983-2990.
36. Poppi R.J., Massart D.L. Anal. Chim. Acta. 375:1998;187-195.
37. Neurogenetic Optimizer 2.6, Biocomp Systems Inc., Redmond, 1998.
38. Jiang J.H., Wang J.H., Song X.H., Yu R.Q. J. Chemom. 10:1996;253-267.
39. Ash T. Connection Sci. 1:1989;365-375.
40. G. Chakraborty, in: Proceedings of the IEEE Conference on Neural Networks, vol. 2, 1995, pp. 1116-1120.
41. J. Hertz, A. Krotgh, R.G. Palmer, Introduction to the Theory of Neural Computation, Addison-Wesley, Reading, MA, 1991.
42. S.E. Fahlman, C. Lebiere, The cascade correlation architecture, in: D.S. Touretzky (Ed.), Advances in Neural Information Processing Systems II, Morgan Kaufmann, San Mateo, 1990.
43. S.E. Fahlman, The Cascade Correlation Architecture, Report CMU-CS-90-100, Carnegie Mellon University, Pittsburgh, 1991.
44. M. Mitchell, An Introduction to Genetic Algorithms, MIT Press, Cambridge, MA, 1998.
45. G.F. Miller, P.M. Todd, S.U. Hegde, Designing neural networks using genetic algorithms, in: J.D. Shaffer (Ed.), Proceedings of the Third International Conference on Genetic Algorithms, Morgan Kaufmann, San Mateo, 1989.
46. Schaffer J.D., Caruana R.A., Eshelman L.J. Physica D. 42:1990;244-248.
47. Kitano H. Complex Syst. 4:1990;461-476.
48. Boozarjomehry R.B., Svrcek W.Y. Comput. Chem. Eng. 25:2001;1075-1088.
49. H. Braun, J. Weisbrod, Evolving feedforward neural networks, in: R.F. Albrecht, C.R. Reeves, N.C. Steele (Eds.), Artificial Neural Nets and Genetic Algorithms, Springer-Verlag, Wien, 1993, pp. 25-32.
50. Reed R. Neural Netw. 4:1993;740-747.
51. S. Haykin, Neural Networks a Comprehensive Foundation, Prentice-Hall, Upper Saddle River, 1999.
52. A. Zell, Simlation Neuronaler Netzwerke, Addison-Wesley, Bonn, 1994.
53. Despagne F., Massart D.L. Chemom. Intell. Lab. Syst. 40:1998;145-163.
54. Vinod V.V., Ghose S. Neurocomputing. 10:1996;55-69.
55. Harrington P.B. Anal. Chem. 70:1998;1297-1306.
56. Molina M.J., Rowland F.S. Nature. 249:1974;810-812.
57. Kupinski A.M., Giger M.L. Med. Phys. 26:1999;2176-2182.
58. Jouan-Rimbaud D., Massart D.L., de Noord O.E. Chemom. Intell. Lab. Syst. 35:1996;213-220.
59. Arcos M.J., Ortiz M.C., Villahoz B., Sarabia L.A. Anal. Chim. Acta. 339:1997;63-77.
60. So S.S., Karplus M. J. Med. Chem. 39:1996;1521-1530.
61. Forina M., Drava G., Boggia R., Lanteri S., Conti P. Anal. Chim. Acta. 295:1994;109-118.
62. Kieser B., Pauluth D., Gauglitz G. Anal. Chim. Acta. 434:2001;231-237.
63. Kretschmann E., Raether H. Z. Naturforsch. 23a:1968;2135-2136.
64. Tetko I.V., Villa A.E.P. Neural Netw. 10:1997;1361-1374.
65. D. Patterson, Artificial Neural Networks, Theory and Applications, Prentice-Hall, Upper Saddle River, 1996.
66. J. Principe, N. Euliano, W. Lefebvre, Neural and adaptive systems: Fundamentals through simulations, Wiley, New York, 2000.
67. Moller M.F. Neural Netw. 6:1993;525-533.
68. A. Zell, SNNS Stuttgart Neural Network Simulator http://www-ra.informatik.uni-tuebingen.de/SNNS/, 2002.
69. Yan H.M., Kraus G., Gauglitz G. Anal. Chim. Acta. 312:1995;1-8.
70. Slama M., Zaborosch C., Wienke D., Spener F. Anal. Chem. 68:1996;3845-3850.
71. Plegge V., Slama M., Süselbeck B., Wienke D., Spener F., Knoll M., Zaborosch C. Anal. Chem. 72:2000;2937-2942.
72. Johnson S.R., Sutter J.M., Engelhardt H.L., Jurs P.C., White J., Kauer J.S., Dickinson T.A., Walt D.R. Anal. Chem. 69:1997;4641-4648.
73. Dlubek G., Clarke A., Fretwell H., Dugdale S.B., Alam M.A. Phys. Status Solidi A. 157:1996;351-364.
74. Astion M.L., Wilding P. Arch. Pathol. Lab. Med. 116:1992;995-1001.