Learning vector quantization classifiers for ROC-optimization

Original Paper

Abstract

This paper proposes a variant of the generalized learning vector quantizer (GLVQ) optimizing explicitly the area under the receiver operating characteristics (ROC) curve for binary classification problems instead of the classification accuracy, which is frequently not appropriate for classifier evaluation. This is particularly important in case of overlapping class distributions, when the user has to decide about the trade-off between high true-positive and good false-positive performance. The model keeps the idea of learning vector quantization based on prototypes by stochastic gradient descent learning. For this purpose, a GLVQ-based cost function is presented, which describes the area under the ROC-curve in terms of the sum of local discriminant functions. This cost function reflects the underlying rank statistics in ROC analysis being involved into the design of the prototype based discriminant function. The resulting learning scheme for the prototype vectors uses structured inputs, i.e. ordered pairs of data vectors of both classes.

Keywords

Learning vector quantization ROC analysis AUC optimization 

References

  1. Ataman K, Street WN, Zhang Y (2006) Learning to rank by maximizing AUC with linear programming. In: Proceedings of the IEEE international joint conference on neural networks (IJCNN). IEEE Press, pp 123–129Google Scholar
  2. Baldi P, Brunak S, Chauvin Y, Andersen C, Nielsen H (2000) Assessing the accuracy of prediction algorithms for classification: an overview. Bioinformatics 16(5):412–424CrossRefGoogle Scholar
  3. Bengio Y (2009) Learning deep architectures for AI. Found Trends Mach Learn 2(1):1–127MathSciNetCrossRefMATHGoogle Scholar
  4. Berger JO (1993) Statistical decision theory and Bayesian analysis. Springer series in statistics, 3rd edn. Springer, New YorkGoogle Scholar
  5. Biehl M, Hammer B, Merényi E, Sperduti A, Villman T (2011) Learning in the context of very high dimensional data (Dagstuhl Seminar 11341). Dagstuhl Rep 1(8):67–95Google Scholar
  6. Biehl M, Kaden M, Stürmer P, Villmann T (2014) ROC-optimization and statistical quality measures in learning vector quantization classifiers. Mach Learn Rep, 8(MLR-01-2014):23–34, ISSN:1865-3960, http://www.techfak.uni-bielefeld.de/~fschleif/mlr/mlr_01_2014.pdf
  7. Bishop CM (2006) Pattern recognition and machine learning. Springer, New YorkMATHGoogle Scholar
  8. Blake CL, Merz CJ (1998) UCI repository of machine learning databases. University of California, Dep. of Information and Computer Science, Irvine. http://www.ics.edu/mlearn/MLRepository.html
  9. Bradley AP (1997) The use of the area under the ROC curve in the evaluation of machine learning algorithms. Pattern Recogn 30(7):1149–1155CrossRefGoogle Scholar
  10. Brefeld U, Scheffer T (2005) AUC maximizing support vector learning. In: Proceedings of ICML 2005 workshop on ROC analysis in machine learning, pp 377–384Google Scholar
  11. Calders T, Jaroszewicz S (2007) Efficient AUC optimization for classification. In: Kok JN, Koronacki J, de Mantaras R Lopez, Matwin S, Mladenic D, Skowron A (eds) Knowledge discovery in databases: PKDD 2007, volume 4702 of LNCS. Springer-Verlag, Berlin, pp 42–53CrossRefGoogle Scholar
  12. Cortes C, Vapnik V (1995) Support vector network. Mach Learn 20:1–20MATHGoogle Scholar
  13. Crammer K, Gilad-Bachrach R, Navot A, Tishby A (2003) Margin analysis of the LVQ algorithm. In: Becker S, Thrun S, Obermayer K (eds) Advances in neural information processing (Proc. NIPS 2002), vol 15. MIT Press, Cambridge, pp 462–469Google Scholar
  14. Cristianini N, Shawe-Taylor J (2000) An introduction to support vector machines and other Kernel-based learning methods. Cambridge University Press, CambridgeCrossRefMATHGoogle Scholar
  15. Duda RO, Hart PE (1973) Pattern Classification and scene analysis. Wiley, New YorkMATHGoogle Scholar
  16. Fawcett T (2006) An introduction to ROC analysis. Pattern Recogn Lett 27:861–874CrossRefGoogle Scholar
  17. Fisher RA (1936) The use of multiple measurements in taxonomic problems. Ann Eugen 7(2):179–188CrossRefGoogle Scholar
  18. Graf S, Lushgy H (2000) Foundations of quantization for random vectors. LNM-1730. Springer, BerlinGoogle Scholar
  19. Güvenir HA, Kurtcephe M (2013) Ranking instances by maximizing the area under ROC curve. IEEE Trans Knowl Data Eng 25(10):2356–2366CrossRefGoogle Scholar
  20. Hammer B, Strickert M, Villmann T (2005) On the generalization ability of GRLVQ networks. Neural Process Lett 21(2):109–120CrossRefGoogle Scholar
  21. Hammer B, Nebel D, Riedel M, Villmann T (2014) Generative versus discriminative prototype based classification. In: Villmann T, Schleif F-M, Kaden M, Lange M (eds) Advances in self-organizing maps and learning vector quantization: proceedings of 10th international workshop WSOM 2014, Mittweida, volume 295 of advances in intelligent systems and computing. Springer, Berlin, pp 123–132CrossRefGoogle Scholar
  22. Hammer B, Villmann T (2002) Generalized relevance learning vector quantization. Neural Netw 15(8–9):1059–1068CrossRefGoogle Scholar
  23. Hanley JA, McNeil BJ (1982) The meaning and use of the area under a receiver operating characteristic. Radiology 143:29–36CrossRefGoogle Scholar
  24. Hanley JA, McNeil BJ (1983) A method of comparing the area under receiver operating characteristic curves derived from the same case. Radiology 148(3):839–843CrossRefGoogle Scholar
  25. Haykin Simon (1994) Neural networks. A comprehensive foundation. Macmillan, New YorkMATHGoogle Scholar
  26. Hermann W, Barthel H, Hesse S, Villmann Th, Wagner A (2002) Korrelation der motorisch evozierten Potentiale mit dem striatalen Glukosestoffwechsel bei Patienten mit einem Morbus Wilson. Aktuelle Neurol 5:242–246CrossRefGoogle Scholar
  27. Hermann W, Barthel H, Hesse S, Grahmann F, Kühn H-J, Wagner A, Villmann Th (2002) Comparison of clinical types of Wilson’s disease and glucose metabolism in extrapyramidal motor brain regions. J Neurol 249(7):896–901CrossRefGoogle Scholar
  28. Hermann W, Villmann Th, Grahmann F, Kühn HJ, Wagner A (2003) Investigation of fine motoric disturbances in Wilson’s disease. Neurol Sci 23(6):279–285CrossRefGoogle Scholar
  29. Herschtal A, Raskutti B (2004) Optimising area under the ROC curve using gradient descent. In: Proceedings of the 21st international conference on machine learning. Banff, pp 49–56Google Scholar
  30. Huaichun W, Dopazo J, Carazo JM (1998) Self-organizing tree growing network for classifying amino acids. Bioinformatics 14(4):376–377CrossRefGoogle Scholar
  31. Huang J, Ling CX (2005) Using AUC and accuracy in evaluating learning algorithms. IEEE Trans Knowl Data Eng 17(3):299–310CrossRefGoogle Scholar
  32. Kaden M, Hermann W, Villmann T (2014) Optimization of general statistical accuracy measures for classification based on learning vector quantization. In: Verleysen M (ed) Proceedings of European symposium on artificial neural networks, computational intelligence and machine learning (ESANN’2014). Louvain-La-Neuve, Belgium, pp 47–52Google Scholar
  33. Kaden M, Lange M, Nebel D, Riedel M, Geweniger T, Villmann T (2014) Aspects in classification learning—review of recent developments in learning vector quantization. Found Comput Decis Sci 39(2):79–105MathSciNetMATHGoogle Scholar
  34. Kaden M, Riedel M, Hermann W, Villmann T (2015) Border-sensitive learning in generalized learning vector quantization: an alternative to support vector machines. Soft Comput 19(9):2423–2434CrossRefGoogle Scholar
  35. Kästner M, Riedel M, Strickert M, Hermann W, Villmann T (2013) Border-sensitive learning in kernelized learning vector quantization. In: Rojas I, Joya G, Cabestany J (eds) Proceedings of the 12th international workshop on artificial neural networks (IWANN), volume 7902 of LNCS. Springer, Berlin, pp 357–366Google Scholar
  36. Keilwagen J, Grosse I, Grau J (2014) Area under precision-recall curves for weighted and unweighted data. PLos One 9(3):1–13CrossRefGoogle Scholar
  37. Kohonen T (1990) Improved versions of learning vector quantization. In: Proceedings of IJCNN-90, international joint conference on neural networks, vol I. Piscataway, IEEE Service Center, San Diego, pp 545–550Google Scholar
  38. Kohonen Teuvo (1986) Learning vector quantization for pattern recognition. Report TKK-F-A601, Helsinki University of Technology, EspooGoogle Scholar
  39. Kohonen T (1988) Learning vector quantization. Neural Netw 1(Supplement 1):303Google Scholar
  40. Kohonen T (1992) Learning-vector quantization and the self-organizing map. In: Taylor JG, Mannion CLT (eds) Theory and applications of neural networks. Springer, London, pp 235–242CrossRefGoogle Scholar
  41. Kohonen Teuvo (1995) Self-organizing maps, volume 30 of Springer series in information sciences. Springer, Berlin, Heidelberg (Second Extended Edition 1997)Google Scholar
  42. Landgrebe TCW, Tax D, Paclìk P, Duin RPW (2006) The interaction between classification and reject performance for distance-based reject-option classifiers. Pattern Recogn Lett 27:908–917CrossRefGoogle Scholar
  43. Lasko TA, Bhagwat JG, Zou KH, Ohno-Machado L (2005) The use of receiver operating characteristic curves in biomedical informatics. J Biomed Inf 38:404–415CrossRefGoogle Scholar
  44. LeCun Y, Bengio Y, Hinton G (2015) Deep learning. Nature 521:436–444CrossRefGoogle Scholar
  45. Mann HB, Whitney DR (1947) On a test whether one of two random variables is stochastically larger than the other. Ann Math Stat 18:50–60MathSciNetCrossRefMATHGoogle Scholar
  46. McLachlan GJ (1992) Discriminant analysis and statistical pattern recognition., Wiley series in probability and mathematical statistics: applied probability and statisticsWiley, New YorkCrossRefMATHGoogle Scholar
  47. Mitchell T (1997) Machine learning. mcgraw hill, New YorkMATHGoogle Scholar
  48. Nebel D, Villmann T (2015) Median-LVQ for classification of dissimilarity data based on ROC-optimization. In: Verleysen M (ed) Proceedings of the European symposium on artifical neural networks, computational intelligence and machine learning (ESANN’2015). Louvain-La-Neuve, Belgium, pp 1–6Google Scholar
  49. Quinlan JR (1993) C4.5: programs for machine learning. Morgan Kaufmann, San FranciscoGoogle Scholar
  50. Rakotomamonjy A (2004) Optimizing area under ROC curve with SVMs. In: Proceedings of the workshop on ROC analysis in artificial intelligence, Hamburg, pp 71–80Google Scholar
  51. Rijsbergen CJ (1979) Information retrieval, 2nd edn. Butterworths, LondonMATHGoogle Scholar
  52. Robbins H, Monro S (1951) A stochastic approximation method. Ann Math Stat 22:400–407MathSciNetCrossRefMATHGoogle Scholar
  53. Sachs L (1992) Angewandte Statistik, 7th edn. Springer Verlag, BerlinCrossRefGoogle Scholar
  54. Santos-Pereira CM, Pires AM (2005) On optimal reject rules and ROC curves. Pattern Recogn Lett 26:943–952CrossRefGoogle Scholar
  55. Sato A, Yamada K (1996) Generalized learning vector quantization. In: Touretzky DS, Mozer MC, Hasselmo ME (eds) Advances in neural information processing systems 8. Proceedings of the 1995 conference. MIT Press, Cambridge, pp 423–429Google Scholar
  56. Schmidhuber J (2015) Deep learning in neural networks: an overview. Neural Netw 61:85–117CrossRefGoogle Scholar
  57. Schneider P, Hammer B, Biehl M (2009) Adaptive relevance matrices in learning vector quantization. Neural Comput 21:3532–3561MathSciNetCrossRefMATHGoogle Scholar
  58. Schölkopf B, Smola A (2002) Learning with Kernels. MIT Press, CambridgeMATHGoogle Scholar
  59. Shawe-Taylor J, Cristianini N (2004) Kernel methods for pattern analysis and discovery. Cambridge University Press, CambridgeCrossRefMATHGoogle Scholar
  60. Steinwart I (2001) On the influence of the kernel on the consistency of support vector machines. J Mach Learn Res 2:67–93MathSciNetMATHGoogle Scholar
  61. Strickert M, Schleif F-M, Seiffert U, Villmann T (2008) Derivatives of Pearson correlation for gradient-based analysis of biomedical data. Inteligencia Artificial, Revista Iberoamericana de Inteligencia Artificial 37:37–44Google Scholar
  62. Strickert M, Keilwagenan J, Schleif F-M, Villmann T, Biehl M (2009) Matrix metric adaptation linear discriminant analysis of biomedical data. In: Cabestany J et al (eds) Proceedings international workshop on artificial neural networks (IWANN) 2009, volume 5517 of LNCS. Springer, Heidelberg, pp 933–940Google Scholar
  63. Vapnik V (1998) Statistical learning theory. Wiley, New YorkMATHGoogle Scholar
  64. Villmann T, Haase S, Kaden M (2015) Kernelized vector quantization in gradient-descent learning. Neurocomputing 147:83–95CrossRefGoogle Scholar
  65. Villmann T, Kaden M, Nebel D, Biehl M (2015) Learning vector quantization with adaptive cost-based outlier-rejection. In: Azzopardi G, Petkov N (eds) Proceedings of 16th international conference on computer analysis of images and pattern, CAIP 2015, Valetta-Malta, volume Part II of LNCS 9257. Springer, Berlin, Heidelberg, pp 772–782Google Scholar
  66. Villmann T, Kaden M, Bohnsack A, Saralajew S, Villmann J-M, Drogies T, Hammer B (2016) Self-adjusting reject options in prototype based classification. In: Merényi E, Mendenhall MJ, O’Driscoll P (eds) Advances in self-organizing maps and learning vector quantization: proceedings of 11th international workshop WSOM 2016, volume 428 of advances in intelligent systems and computing. Springer, Berlin, Heidelberg, pp 269–279CrossRefGoogle Scholar
  67. Villmann T, Schleif F-M, Kaden M, Lange M (eds) (2014) Advances in self-organizing maps and learning vector quantization - proceedings of the 10th international workshop, WSOM 2014, Mittweida. Number 295 in Advances in intelligent systems and computing. Springer, HeidelbergGoogle Scholar
  68. Wilcoxon F (1945) Andividual comparisons by ranking methods. Biometrics 1:80–83CrossRefGoogle Scholar
  69. Yan L, Dodier R, Mozer MC, Wolniewicz R (2003) Optimizing classifier performance via approximation to the Wilcoxon–Mann–Witney statistics. In: Proceedings of the 20th international conference on machine learning. AAAI Press, Menlo Park, pp 848–855Google Scholar
  70. Yu G, Russell W, Schwartz R, Makhoul J (1990) Discriminant analysis and supervised vector quantization for continuous speech recognition. In: ICASSP-90, international conference on acoustics, speech and signal processing, volume II, pp 685–688, Piscataway. IEEE, IEEE Service CenterGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2016

Authors and Affiliations

  1. 1.Computational Intelligence GroupUniversity of Applied Sciences MittweidaMittweidaGermany
  2. 2.Abt. NeurologieParacelsus-Klinikum ZwickauZwickauGermany
  3. 3.Johann-Bernoulli-Institute for Mathematics and Computer SciencesUniversity GroningenGroningenThe Netherlands

Personalised recommendations