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Neural Network Solution of an Inverse Problem in Raman Spectroscopy of Multi-component Solutions of Inorganic Salts

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Biologically Inspired Cognitive Architectures (BICA) for Young Scientists

Part of the book series: Advances in Intelligent Systems and Computing ((AISC,volume 449))

Abstract

The paper presents a study into several aspects of solution of the inverse problem on determination of concentrations of components in a multi-component water solution of inorganic salts by processing Raman spectra of the solutions by perceptron type artificial neural networks. The studied aspects are: (1) determination of the optimal architecture of a multi-layer perceptron, (2) influence of the input dimensionality reduction by aggregation of adjacent spectral channels on the error of problem solution. The results are compared for two data arrays including spectra of solutions of: (1) 5 salts composed of 10 different ions (salt determination problem), and (2) 10 salts composed of 10 different ions (ion determination problem).

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References

  1. Baldwin, S.F., Brown, C.W.: Detection of ionic water pollutants by laser excited Raman spectroscopy. Water Res. 6, 1601–1604 (1972)

    Article  Google Scholar 

  2. Rudolph, W.W., Irmer, G.: Raman and infrared spectroscopic investigation on aqueous alkali metal phosphate solutions and density functional theory calculations of phosphate-water clusters. Appl. Spectrosc. 61(12), 274A–292A (2007)

    Article  Google Scholar 

  3. Furic, K., Ciglenecki, I., Cosovic, B.: Raman spectroscopic study of sodium chloride water solutions. J. Mol. Struct. 6, 225–234 (2000)

    Article  Google Scholar 

  4. Dolenko, T.A., Churina, I.V., Fadeev, V.V., Glushkov, S.M.: Valence band of liquid water raman scattering: some peculiarities and applications in the diagnostics of water media. J. Raman Spectrosc. 31(8–9), 863–870 (2000)

    Article  Google Scholar 

  5. Terpstra, P., Combes, D., Zwick, A.: Effect of salts on dynamics of water: a Raman spectroscopy study. J. Chem. Phys. 92(1), 65–70 (1989)

    Article  Google Scholar 

  6. Gogolinskaia, T.A., Dolenko, T.A., Patsaeva, S.V., Fadeev, V.V.: The regularities of change of the 3100–3700 cm−1 band of water Raman scattering in salt aqueous solutions. Dokl. Akad. Nauk SSSR 290(5), 1099–1103 (1986)

    Google Scholar 

  7. Gerdova, I.V., Dolenko, S.A., Dolenko, T.A., Churina, I.V., Fadeev, V.V.: New opportunity solutions to inverse problems in laser spectroscopy involving artificial neural networks. Izv. Akad. Nauk Ser. Fiz. 66(8), 1116–1124 (2002)

    Google Scholar 

  8. Dolenko, S., Burikov, S., Dolenko, T., Efitorov, A., Gushchin, K., Persiantsev, I.: Neural network approaches to solution of the inverse problem of identification and determination of partial concentrations of salts in multi-component water solutions. In: ICANN 2014. Lecture Notes in Computer Science, vol. 8681, pp. 805–812. Springer International Publishing, Switzerland (2014)

    Google Scholar 

  9. Efitorov, A.O., Burikov, S.A., Dolenko, T.A., Persiantsev, I.G., Dolenko, S.A.: Comparison of the quality of solving the inverse problems of spectroscopy of multi-component solutions with neural network methods and with the method of projection to latent structures. Opt. Mem. Neural Networks (Inf. Opt.) 24(2), 93–101 (2015)

    Article  Google Scholar 

  10. Efitorov, A., Burikov, S., Dolenko, T., Laptinskiy, K., Dolenko, S.: Significant feature selection in neural network solution of an inverse problem in spectroscopy. Procedia Comput. Sci. 66, 93–102 (2015)

    Google Scholar 

  11. Dolenko, S., Efitorov, A., Burikov, S., Dolenko, T., Laptinskiy, K., Persiantsev, I.: Neural network approaches to solution of the inverse problem of identification and determination of the ionic composition of multi-component water solutions. In: Iliadis, L., Jayne, C. (eds.) Proceedings of EANN 2015, Communications in Computer and Information Science (CCIS), vol. 517, pp. 109–118. Springer International Publishing, Switzerland (2015)

    Google Scholar 

  12. Zhang, Y., Pulliainen, J., Koponen, S., Hallikainen, M.: Application of an empirical neural network to surface water quality estimation in the Gulf of Finland using combined optical data and microwave data. Remote Sens. Environ. 81, 327–336 (2002)

    Article  Google Scholar 

  13. Plaza, J., Martinez, P., Perez, R., Plaza, A., Cantero, C.: Nonlinear neural-network-based mixture model for estimating the concentration of nitrogen salts in turbid inland waters using hyperspectral imagery. In: Proceedings of SPIE—The International Society for Optical Engineering, vol. 5584 (2004). doi:10.1117/12.579805

  14. Chen, L., Zhang, X.: Application of artificial neural networks to classify water quality of the Yellow River. In: Fuzzy Information and Engineering. Advances in Soft Computing, vol. 54, pp. 15–23 (2009)

    Google Scholar 

  15. Liu, M., Liu, X., Jiang, J., Xia, X.: Artificial neural network and random forest approaches for modeling of sea surface salinity. Int. J. Remote Sens. Appl. 3(4), 229–234 (2013)

    Google Scholar 

  16. Hongwei, J.I., Yan, X.U., Shuang, L.I., Huizhen, X., Hengxia, C.: Simultaneous determination of calcium and magnesium in water using artificial neural network. Spectro-photometric method. J. Ocean Univ. China 9(3), 229–234 (2010)

    Google Scholar 

  17. Hongwei, J.I., Yan, X.U., Shuang, L.I., Huizhen, X., Hengxia, C.: Simultaneous determination of iron and manganese in water using artificial neural network. Catalytic spectrophotometric method. J. Ocean Univ. China 11(3), 323–330 (2012)

    Google Scholar 

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Acknowledgments

This study was supported by the grant of Russian Science Foundation no. 14-11-00579.

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Correspondence to Alexander Efitorov .

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Efitorov, A., Dolenko, T., Burikov, S., Laptinskiy, K., Dolenko, S. (2016). Neural Network Solution of an Inverse Problem in Raman Spectroscopy of Multi-component Solutions of Inorganic Salts. In: Samsonovich, A., Klimov, V., Rybina, G. (eds) Biologically Inspired Cognitive Architectures (BICA) for Young Scientists . Advances in Intelligent Systems and Computing, vol 449. Springer, Cham. https://doi.org/10.1007/978-3-319-32554-5_35

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  • DOI: https://doi.org/10.1007/978-3-319-32554-5_35

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  • Publisher Name: Springer, Cham

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  • Online ISBN: 978-3-319-32554-5

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