DEVELOPMENT OF A HYBRID INVERSE ANALYSIS MODEL FOR EVALUATING SPECTRAL CHARACTERISTICS OF MULTILAYERED STRUCTURES

Authors

DOI:

https://doi.org/10.35546/kntu2078-4481.2025.1.2.3

Keywords:

multilayer structures, spectral analysis, mathematical modeling, hybrid model, iterative methods, deep learning, neural networks

Abstract

Multilayer structures are key elements in modern optics, nanotechnology and photonics, where their spectral characteristics determine the efficiency and performance of devices. However, modern analysis methods have a number of limitations, such as low accuracy and insufficient noise immunity, which complicates work with complex systems.The aim of this study is to develop a new hybrid inverse analysis model that combines classical iterative methods and deep neural networks. The proposed model uses the advantages of pre-training of neural networks for fast initialization of the parameters of multilayer structures and iterative methods for their optimization.In the course of the work, an algorithm and a corresponding software product were created, which were implemented in Python and tested on synthetic data with noise. The model was implemented using the NumPy, SciPy, Matplotlib libraries, as well as TensorFlow and Keras for building and training deep neural networks. This approach ensured efficient data processing, high accuracy of results, and the ability to adapt to various experimental conditions. The results showed that the model provides high accuracy in restoring spectral parameters even under conditions of significant noise levels. This is confirmed by low values of the mean square error and high coefficient of determination, which exceed the results of traditional approaches. In addition, the model turned out to be adaptive to changes in the geometry of the layers and optical properties, and its use allowed to reduce the number of iterations due to pre-training of deep neural networks.The application of the developed model is promising for spectroscopy, development of optical coatings, sensors and photonic devices. Its flexibility allows working with small training samples, and the ability to adapt to noise expands the analysis capabilities. Further improvement of the algorithm, including optimization of neural networks and expansion of the training base, can significantly expand the scope of its application and provide even higher accuracy.

References

Xuyang, L., Hongle, A., Wensheng, C., Xueguang, S. (2024). Deep learning in spectral analysis: Modeling and imaging. Trends in Analytical Chemistry, 172, Article 117612. https://doi.org/10.1016/j.trac.2024.117612

Mishra, P., Passos, D., Marini, F., Xu, J., Amigo, M. J., Gowen, et al. (2022). Deep learning for near-infrared spectral data modelling: Hypes and benefits. Trends in Analytical Chemistry, 157(2), 10.1016/s0731-7085(01), Article 00690-2. https://doi.org/10.1016/j.trac.2022.116804

Schuetzke, J., Szymanski, N. J., Reischl, M. (2023). Validating neural networks for spectroscopic classification on a universal synthetic dataset. npj Comput Mater, 9(100). https://doi.org/10.1038/s41524-023-01055-y

Primrose, M. S., Giblin, J., Smith, C., Anguita, M. R., Weedon, G. H. (2022). One dimensional convolutional neural networks for spectral analysis. Algorithms, Technologies, and Applications for Multispectral and Hyperspectral Imaging XXVIII, 120940C. https://doi.org/10.1117/12.2618487

Liu, J., Osadchy, M., Ashton, L., Foster, M., Solomone, C. J., Gibson, S. J. (2017). Deep convolutional neural networks for Raman spectrum recognition: a unified solution. The Analyst, 21. https://doi.org/10.1039/C7AN01371J.

Madden, M. G., Ryder, A. G. (2002). Machine learning methods for quantitative analysis of Raman spectroscopy data. Proc. SPIE 4876, Opto-Ireland 2002: Optics and Photonics Technologies and Applications. https://doi.org/ 10.1117/12.464039

Butler, K. T., Davies, D. W., Cartwright, H., Isayev, O., Walsh, A. (2018). Machine learning for molecular and materials science. Nature, 559, 547–555. https://doi.org/10.1038/s41586-018-0337-2

Mahani, M. K., Chaloosi, M., Maragheh, M. G., Khanchi, A. R., Afzali, D. (2007). Comparison of Artificial Neural Networks with Partial Least Squares Regression for Simultaneous Determinations by ICP-AES. Chinese Journal of Chemistry, 25(11), 1658–1662. https://doi.org/10.1002/cjoc.200790306

Marini, F., Bucci, R., Magrì, A. L., Magrì, A. D. (2008). Artificial neural networks in chemometrics: History, examples and perspectives. Microchemical Journal, 88(2), 178–185. https://doi.org/10.1016/j.microc.2007.11.008

Born, M., & Wolf, E. (1999). Principles of Optics: Electromagnetic Theory of Propagation, Interference, and Diffraction of Light. Cambridge University Press. https://doi.org/10.1017/CBO9781139644181

Vassallo, E., Laguardia, L., Catellani, M., Cremona, A., Dellera, F., Ghezzi, F. (2007). Characterization of Poly(3‐ Methylthiophene)‐like Films Produced by Plasma Polymerization. Plasma Processes and Polymers, 4, S801–S805. https://doi.org/10.1002/ppap.200731909

Han, K., Chang, C. H. (2014). Numerical Modeling of Sub-Wavelength Anti-Reflective Structures for Solar Module Applications. Nanomaterials, 4(1), 87–128. https://doi.org/10.3390/nano4010087

Zhou, W., Cao, Y., Zhao, H., Li, Z., Feng, P., & Feng, F. (2022). Fractal Analysis on Surface Topography of Thin Films: A Review. Fractal and Fractional, 6(3), 135. https://doi.org/10.3390/fractalfract6030135

Zhang, S., Deng, Q., Ding, Z. (2022). Multilayer graph spectral analysis for hyperspectral images. EURASIP Journal on Advances in Signal Processing. https://doi.org/10.1186/s13634-022-00926-8

Palacz, M. (2018). Spectral Methods for Modelling of Wave Propagation in Structures in Terms of Damage Detection – A Review. Applied Sciences, 8(7), 1124. https://doi.org/10.3390/app8071124

Xuyang, L., Hongle, A., Wensheng, C., Xueguang, S. (2024). Deep learning in spectral analysis: Modeling and imaging. TrAC Trends in Analytical Chemistry, 172, Article 117612. https://doi.org/10.1016/j.trac.2024.117612

Parrein, P., Moussy, N., Poupinet, L., Gidon, P. (2009). Multilayer structure for a spectral imaging sensor. Applied Optics, 48, 653–657. https://doi.org/10.1364/AO.48.000653

Koleva, M. N., Vulkov, L. G. (2024). Numerical Solution of External Boundary Conditions Inverse Multilayer Diffusion Problems. Symmetry, 16(10), 1396. https://doi.org/10.3390/sym16101396

Nishawala, V. V., Ostoja-Starzewski, M., Porcu, E., Shen, L. (2020). Random Fields with Fractal and Hurst Effects in Mechanics. In: Altenbach, H., Öchsner, A. (eds) Encyclopedia of Continuum Mechanics. Springer. https://doi.org/ 10.1007/978-3-662-55771-6_74

Terven, J., Cordova-Esparza, D. M., Ramirez-Pedraza, A., Chávez Urbiola, E. (2023). Loss Functions and Metrics in Deep Learning. A Review. https://doi.org/10.48550/arXiv.2307.02694

Paschotta, R. (2025). Fresnel Equations. RP Photonics Encyclopedia. Retrieved January 19, 2025. https://doi.org/ 10.61835/tql

Zhang, J. (2019). Gradient Descent Based Optimization Algorithms for Deep Learning Models Training. arXiv. Retrieved January 19, 2025. https://doi.org/10.48550/arXiv.1903.03614

Downey, A. B. (2017). Modeling and Simulation in Python. Green Tea Press. Needham, Massachusetts. 228 p. https://greenteapress.com/wp/modsimpy/ https://allendowney.github.io/ModSimPy/

Shuaibov, A., Minya, A., Malinina, A., Gritsak, R., Malinin, A., Bilak, Yu., Vatrala, M. (2022). Characteristics and Plasma Parameters of the Overstressed Nanosecond Discharge in Air between an Aluminum Electrode and a Chalcopyrite Electrode (CuInSe2). Surface Engineering and Applied Electrochemistry, 58(4), 369–385. https://doi.org/10.3103/ S1068375522040123

Bondar, I., Suran, V., Minya, O., Shuaibov, O., Bilak, Yu., Shevera, I., Malinina, A., Krasilinets, V. (2023). Synthesis of surface structures during laser-stimulated evaporation of a copper sulfate solution in distilled water. Ukrainian Journal of Physics, 68(2), 138. https://doi.org/10.15407/ujpe68.2.138

Shuaibov, O., Hrytsak, R., Minya, O., Malinina, A., Shevera, I., Bilak, Yu., Homoki, Z. (2024). Conditions for pulsed gas-discharge synthesis of thin tungsten oxide films from a plasma mixture of air with tungsten vapors. Physics and Chemistry of Solid State, 25(4), 684–688. https://doi.org/10.15330/pcss.25.4.684-688

Shuaibov, O. K., Hrytsak, R. V., Minya, O. I., Malinina, A. A., Bilak, Yu. Yu., & Homoki, Z. T. (2022). Spectroscopic diagnostics of overstressed nanosecond discharge plasma between zinc electrodes in air and nitrogen. Journal of Physical Studies, 26(2), 2501(8 p.). https://doi.org/10.30970/jps.26.2501

Shuaibov, O., Minya, O., Hrytsak, R., Malinina, A., Malinin, O., Bilak, Y., & Homoki, Z. (2024). Conditions for the deposition of selenium thin films from the plasma of an overvoltaged nanosecond discharge. J. Clin Bio Med Adv, 3(1), 01-09.

Kozubovsky, V. R., & Bilak, Yu. Yu. (2022). Express analysis of gas mixtures using a spectral correlator based on the Fabry–Perot interferometer. Journal of Applied Spectroscopy, 89(3), 495–499. https://doi.org/10.1007/ s10812-022-01385-7

Published

2025-02-25