Skip to main content

Regularized Active Set Least Squares Algorithm for Nonnegative Matrix Factorization in Application to Raman Spectra Separation

  • Conference paper
Advances in Computational Intelligence (IWANN 2011)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 6692))

Included in the following conference series:

Abstract

Nonnegative Matrix Factorization (NMF) is an important tool in spectral data analysis. Various types of numerical optimization algorithms have been proposed for NMF, including multiplicative, projected gradient descent, alternating least squares and active-set ones. In this paper, we discuss the Tikhonov regularized version of the FC-NNLS algorithm (proposed by Benthem and Keenan in 2004) that belongs to a class of active-set methods in the context of its application to spectroscopy data. We noticed that starting iterative updates from a large value of a regularization parameter, and then decreasing it gradually to a very small value considerably reduces the risk of getting stuck into unfavorable local minima of a cost function. Moreover, our experiments demonstrate that this algorithm outperforms the well-known NMF algorithms in terms of Peak Signal-to-Noise Ratio (PSNR).

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Sajda, P., Du, S., Brown, T., Parra, L., Stoyanova, R.: Recovery of constituent spectra in 3D chemical shift imaging using nonnegative matrix factorization. In: Proc. of 4th International Symposium on Independent Component Analysis and Blind Signal Separation, Nara, Japan, pp. 71–76 (2003)

    Google Scholar 

  2. Sajda, P., Du, S., Brown, T.R., Stoyanova, R., Shungu, D.C., Mao, X., Parra, L.C.: Nonnegative matrix factorization for rapid recovery of constituent spectra in magnetic resonance chemical shift imaging of the brain. IEEE Transaction on Medical Imaging 23(12), 1453–1465 (2004)

    Article  Google Scholar 

  3. Pauca, V.P., Pipera, J., Plemmons, R.J.: Nonnegative matrix factorization for spectral data analysis. Linear Algebra and its Applications 416(1), 29–47 (2006)

    Article  MathSciNet  MATH  Google Scholar 

  4. Li, H., Adali, T., Wang, W., Emge, D., Cichocki, A.: Non-negative matrix factorization with orthogonality constraints and its application to Raman spectroscopy. The Journal of VLSI Signal Processing 48(1-2), 83–97 (2007)

    Article  Google Scholar 

  5. Gobinet, C., Perrin, E., Huez, R.: Application of nonnegative matrix factorization to fluorescence spectroscopy. In: Proc. European Signal Processing Conference (EUSIPCO 2004), Vienna, Austria, September 6–10 (2004)

    Google Scholar 

  6. Jia, S., Qian, Y.: Constrained nonnegative matrix factorization for hyperspectral unmixing. IEEE Transactions on Geoscience and Remote Sensing 47(1), 161–173 (2009)

    Article  MATH  Google Scholar 

  7. Berry, M., Browne, M., Langville, A., Pauca, P., Plemmons, R.: Algorithms and applications for approximate nonnegative matrix factorization. Computational Statistics and Data Analysis 52(1), 155–173 (2007)

    Article  MathSciNet  MATH  Google Scholar 

  8. Cichocki, A., Zdunek, R., Phan, A.H., Amari, S.I.: Nonnegative Matrix and Tensor Factorizations: Applications to Exploratory Multi-way Data Analysis and Blind Source Separation. Wiley and Sons, Chichester (2009)

    Book  Google Scholar 

  9. Lee, D.D., Seung, H.S.: Learning of the parts of objects by non-negative matrix factorization. Nature 401, 788–791 (1999)

    Article  MATH  Google Scholar 

  10. Lawson, C.L., Hanson, R.J.: Solving Least Squares Problems. Prentice-Hall, Englewood Cliffs (1974)

    MATH  Google Scholar 

  11. Bro, R., Jong, S.D.: A fast non-negativity-constrained least squares algorithm. Journal of Chemometrics 11, 393–401 (1997)

    Article  Google Scholar 

  12. Kim, H., Park, H.: Non-negative matrix factorization based on alternating non-negativity constrained least squares and active set method. SIAM Journal in Matrix Analysis and Applications 30(2), 713–730 (2008)

    Article  MATH  Google Scholar 

  13. Benthem, M.H.V., Keenan, M.R.: Fast algorithm for the solution of large-scale non-negativity-constrained least squares problems. Journal of Chemometrics 18, 441–450 (2004)

    Article  Google Scholar 

  14. Zdunek, R., Phan, A., Cichocki, A.: Damped Newton iterations for nonnegative matrix factorization. Australian Journal of Intelligent Information Processing Systems 12(1), 16–22 (2010)

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2011 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Zdunek, R. (2011). Regularized Active Set Least Squares Algorithm for Nonnegative Matrix Factorization in Application to Raman Spectra Separation. In: Cabestany, J., Rojas, I., Joya, G. (eds) Advances in Computational Intelligence. IWANN 2011. Lecture Notes in Computer Science, vol 6692. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-21498-1_62

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-21498-1_62

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-21497-4

  • Online ISBN: 978-3-642-21498-1

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics