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Modern machine learning in thin film device development
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Abstract
Recent advances in deep learning and scientific machine learning (SML) offer a wide spectrum of novel tools with the potential to radically transform various areas of academic research, industrial research and development (R&D), and manufacturing. These include inverse device design, data-driven equation discovery, rapid approximate partial solutions to differential equations for exploring the design space, automated metrology and manufacturing process control, new materials design, and the creation of fast and realistic digital twins for virtual testing and design optimization. The purpose of this review is to assist R&D practitioners, who are not specialists in artificial intelligence, in navigating this complex and dynamic landscape, enabling them to adopt modern machine learning (ML) methods in their work. We particularly emphasize the potential advantages of deep learning methods for the field of thin film device development, highlighting the main approaches and points of their applications in R&D design and process. The review is organized into several sections. First, we provide a brief overview of machine learning and deep learning, introducing basic neural network architectures and describing their possible use cases relevant to industrial R&D. In Sec. III, we introduce examples of ML approaches enabling the reduction of dependency on the amount of input data and improving generalization capabilities of neural networks through introduction of realistic inductive biases in the form of symmetries, conservation laws, physics equations, etc. Then we review some of the most successful large-scale SML models, including foundational materials simulation and generation models. Finally, we discuss existing and prospective applications of ML models in different aspects of thin film devices development.
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Cites
ImageNet classification with deep convolutional neural networks
Krizhevsky, A., Sutskever, I., & Hinton, G. E. (2017) · Communications of the ACM · doi:10.1145/3065386 · Cited by 112,155
Hochreiter, S., & Schmidhuber, J. (1997) · Neural Computation · doi:10.1162/neco.1997.9.8.1735 · Cited by 102,318
LeCun, Y., Bengio, Y., & Hinton, G. (2015) · Nature · doi:10.1038/nature14539 · Cited by 84,126
Cortes, C., & Vapnik, V. (1995) · Machine Learning · doi:10.1007/bf00994018 · Cited by 59,421
Gradient-based learning applied to document recognition
Lecun, Y., Bottou, L., Bengio, Y., & Haffner, P. (1998) · Proceedings of the IEEE · doi:10.1109/5.726791 · Cited by 58,805
Highly accurate protein structure prediction with AlphaFold
Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Ronneberger, O., Tunyasuvunakool, K., Bates, R., Žídek, A., Potapenko, A., et al. (2021) · Nature · doi:10.1038/s41586-021-03819-2 · Cited by 43,764
High-Resolution Image Synthesis with Latent Diffusion Models
Rombach, R., Blattmann, A., Lorenz, D., Esser, P., & Ommer, B. (2022) · 2022 IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR) · doi:10.1109/cvpr52688.2022.01042 · Cited by 20,302
Mastering the game of Go with deep neural networks and tree search
Silver, D., Huang, A., Maddison, C. J., Guez, A., Sifre, L., van den Driessche, G., Schrittwieser, J., Antonoglou, I., Panneershelvam, V., Lanctot, M., et al. (2016) · Nature · doi:10.1038/nature16961 · Cited by 15,612
The perceptron: A probabilistic model for information storage and organization in the brain.
Rosenblatt, F. (1958) · Psychological Review · doi:10.1037/h0042519 · Cited by 12,280
A general reinforcement learning algorithm that masters chess, shogi, and Go through self-play
Silver, D., Hubert, T., Schrittwieser, J., Antonoglou, I., Lai, M., Guez, A., Lanctot, M., Sifre, L., Kumaran, D., Graepel, T., et al. (2018) · Science · doi:10.1126/science.aar6404 · Cited by 3,562
Research works printed but not linked: 95
- 1997, Machine Learning
- R. Balestriero , M.Ibrahim, V.Sobal, A.Morcos, S.Shekhar, T.Goldstein, F.Bordes, A.Bardes, G.Mialon, Y.Tian, A.Schwarzschild, A. G.Wilson, J.Geiping, Q.Garrido, P.Fernandez, A.Bar, H.Pirsiavash, Y.LeCun, and M.Goldblum, “A cookbook of self-supervised learning,” arXiv:2304.12210 (2023). · arXiv
- 2009, The Elements of Statistical Learning: Data Mining, Inference, and Prediction
- 2022, Deep learning, reinforcement learning, and world models, Neural Networks, 152, 267, 10.1016/j.neunet.2022.03.037 · DOI
- 2006, Pattern Recognition and Machine Learning
- 1998, Reinforcement Learning: An Introduction
- 2019, Data-Driven Science and Engineering: Machine Learning, Dynamical Systems, and Control
- 1959, Some studies in machine learning using the game of checkers, IBM J. Res. Dev., 3, 210, 10.1147/rd.33.0210 · DOI · Paper page
- 1967, Some studies in machine learning using the game of checkers. II—Recent progress, IBM J. Res. Dev., 11, 601, 10.1147/rd.116.0601 · DOI
- 2018, The Deep Learning Revolution: Artificial Intelligence Meets Human Intelligence
- 1969, Perceptrons: An Introduction to Computational Geometry
- 1986, Learning representations by back-propagating errors, Nature, 323, 533, 10.1038/323533a0 · DOI · Paper page
- 2016, Deep Learning
- A. Vaswani , N.Shazeer, N.Parmar, J.Uszkoreit, L.Jones, A. N.Gomez, Ł.Kaiser, and I.Polosukhin, “Attention is all you need,” arXiv:1706.03762 (2017). · arXiv
- 1989, Multilayer feedforward networks are universal approximators, Neural Networks, 2, 359, 10.1016/0893-6080(89)90020-8 · DOI · Paper page
- 2017, Why does deep learning work? A physics perspective, J. Stat. Phys., 168, 1223, 10.48550/arXiv.1608.08225 · DOI
- 2019, Deep learning for audio signal processing, IEEE J. Sel. Top. Signal Process., 13, 206, 10.1109/JSTSP.2019.2908700 · DOI
- S. Bai , J. Z.Kolter, and V.Koltun, “An empirical evaluation of generic convolutional and recurrent networks for sequence modeling,” arXiv:1803.01271 (2018). · arXiv
- 1990, Finding structure in time, Cognit. Sci., 14, 179, 10.1207/s15516709cog1402_1 · DOI · Paper page
- 2023, What are graph neural networks?
- D. P. Kingma and M.Welling, “Auto-encoding variational bayes,” arXiv:1312.6114 (2022). · arXiv
- 2019, An introduction to variational autoencoders, Foundations and Trends in Machine Learning, 12, 307, 10.1561/2200000056 · DOI · Paper page
- I. Goodfellow , J.Pouget-Abadie, M.Mirza, B.Xu, D.Warde-Farley, S.Ozair, A.Courville, and Y.Bengio, “Generative adversarial networks,” arXiv:1406.2661 (2014). · arXiv
- 2023, Generative adversarial network-based fault detection in semiconductor equipment with class-imbalanced data, Sensors, 23, 1889, 10.3390/s23041889 · DOI
- L. Yang , Y.Zhang, Y.Hong, M.Xu, Y.Wang, Y.Wang, Y.Xu, C.Xu, and D.Tao, “Diffusion models: A comprehensive survey of methods and applications,” arXiv:2209.00796 (2022). · arXiv
- 2020, Mastering Atari, Go, chess and shogi by planning with a learned model, Nature, 588, 604, 10.1038/s41586-020-03051-4 · DOI · Paper page
- Konidaris, Welcome to the era of experience
- 2022, Magnetic control of tokamak plasmas through deep reinforcement learning, Nature, 602, 414, 10.1038/s41586-021-04301-9 · DOI · Paper page
- R. T. Q. Chen , Y.Rubanova, J.Bettencourt, and D.Duvenaud, “Neural ordinary differential equations,” arXiv:1806.07366 (2019). · arXiv
- Z. Liu , Y.Wang, S.Vaidya, F.Ruehle, J.Halverson, M.Soljačić, T. Y.Hou, and M.Tegmark, “KAN: Kolmogorov–Arnold networks,” arXiv:2404.19756 (2025). · DOI
- 2021, Physics-informed machine learning, Nat. Rev. Phys., 3, 422, 10.1038/s42254-021-00314-5 · DOI · Paper page
- 2019, Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations, J. Comput. Phys., 378, 686, 10.48550/arXiv.1711.10561 · DOI
- L. Fesser , L.D'Amico-Wong, and R.Qiu, “Understanding and mitigating extrapolation failures in physics-informed neural networks,” arXiv:2306.09478 (2023). · arXiv
- 2021, Learning nonlinear operators via DeepONet based on the universal approximation theorem of operators, Nat. Mach. Intell., 3, 218, 10.1038/s42256-021-00302-5 · DOI
- Z. Li , N.Kovachki, K.Azizzadenesheli, B.Liu, K.Bhattacharya, A.Stuart, and A.Anandkumar, “Fourier neural operator for parametric partial differential equations,” arXiv:2010.08895 (2020). · arXiv
- C. Rackauckas , Y.Ma, J.Martensen, C.Warner, K.Zubov, R.Supekar, D.Skinner, A.Ramadhan, and A.Edelman, “Universal differential equations for scientific machine learning,” arXiv:2001.04385 (2020). · DOI · Paper page
- 2022, Graph neural networks for materials science and chemistry, Commun. Mater., 3, 93, 10.1038/s43246-022-00315-6 · DOI
- 2023, Graph neural networks for molecules, 21
- M. M. Bronstein , J.Bruna, T.Cohen, and P.Veličković, “Geometric deep learning: Grids, groups, graphs, geodesics, and gauges,” arXiv:2104.13478 (2021). · arXiv
- P. W. Battaglia , J. B.Hamrick, V.Bapst, A.Sanchez-Gonzalez, V.Zambaldi, M.Malinowski, A.Tacchetti, D.Raposo, A.Santoro, R.Faulkner, C.Gulcehre, F.Song, A.Ballard, J.Gilmer, G.Dahl, A.Vaswani, K.Allen, C.Nash, V.Langston, C.Dyer, N.Heess, D.Wierstra, P.Kohli, M.Botvinick, O.Vinyals, Y.Li, and R.Pascanu, “Relational inductive biases, deep learning, and graph networks,” arXiv:1806.01261 (2018). · arXiv
- M. Geiger , T.Smidt, B. K.Miller, W. M. C.Foulkes, K. L. R.Morgan, J. T. P.Overduin, J. W. J.Saukko, M.Korpela, A.Rizzi, and S.Hey, “e3nn: Euclidean neural networks,” arXiv:2207.09453 (2022). · arXiv
- 2020, Machine learning for interatomic potential models, J. Chem. Phys., 152, 050902, 10.1063/1.5126336 · DOI
- T. Le , F.Noé, and D.-A.Clevert, “Equivariant graph attention networks for molecular property prediction,” arXiv:2202.09891 (2022). · arXiv
- F. A. Hölzl , D.Rueckert, and G.Kaissis, “Bridging the gap: Differentially private equivariant deep learning for medical image analysis,” arXiv:2209.04338 (2023). · arXiv
- S.-O. Kaba and S.Ravanbakhsh, “Equivariant networks for crystal structures,” arXiv:2211.15420 (2022). · DOI
- 2018, Crystal graph convolutional neural networks for an accurate and interpretable prediction of material properties, Phys. Rev. Lett., 120, 145301, 10.1103/PhysRevLett.120.145301 · DOI · Paper page
- 2021, Atomistic line graph neural network for improved materials property predictions, npj Comput. Mater., 7, 185, 10.1038/s41524-021-00650-1 · DOI
- 2022, A generative approach to materials discovery, design, and optimization, ACS Omega, 7, 25958, 10.1021/acsomega.2c03264 · DOI
- 2024, Physics-informed data augmentation of experimental erosion data through generative adversarial networks, 10.1115/FEDSM2024-130858 · DOI
- 2024, Deep reinforcement learning for inverse inorganic materials design, npj Comput. Mater., 10, 287, 10.1038/s41524-024-01474-5 · DOI
- 2023, A newcomer's guide to deep learning for inverse design in nano-photonics, Nanophotonics, 12, 4387, 10.1515/nanoph-2023-0527 · DOI
- 2000, Gene ontology: Tool for the unification of biology, Nat. Genet., 25, 25, 10.1038/75556 · DOI · Paper page
- 2023, Uncovering new families and folds in the natural protein universe, Nature, 622, 646, 10.1038/s41586-023-06622-3 · DOI
- J. Gasteiger , J.Groß, and S.Günnemann, “Directional message passing for molecular graphs,” arXiv:2003.03123 (2022). · arXiv
- 2013, Commentary: The materials project: A materials genome approach to accelerating materials innovation, APL Mater., 1, 011002, 10.1063/1.4812323 · DOI · Paper page
- 2025, Accelerated data-driven materials science with the Materials Project, Nat. Mater., 24, 1522, 10.1038/s41563-025-02272-0 · DOI
- H. Yang , C.Hu, Y.Zhou, X.Liu, Y.Shi, J.Li, G.Li, Z.Chen, C.Shuizhou, C.Zeni, M.Horton, R.Pinsler, A.Fowler, D.Zügner, T.Xie, J.Smith, L.Sun, Q.Wang, L.Kong, C.Liu, H.Hao, and Z.Lu, “MatterSim: A deep learning atomistic model across elements, temperatures and pressures,” arXiv:2405.04967v2 (2024). · arXiv
- C. Zeni , R.Pinsler, D.Zügner, A.Fowler, M.Horton, X.Fu, S.Shysheya, J.Crabbé, L.Sun, J.Smith, S.Erhard, T.Greaves, C.Liu, H.Qian, N.Thiry, D.Gunceler, M.Riechert, J.Li, H.Hao, Z.Lu, R.Tomioka, and T.Xie, “MatterGen: A generative model for inorganic materials design,” arXiv:2312.03687 (2023). · arXiv
- 2025, A generative model for inorganic materials design, Nature, 639, 624, 10.1038/s41586-025-08628-5 · DOI · Paper page
- 2022, A universal graph deep learning interatomic potential for the periodic table, Nat. Comput. Sci., 2, 718, 10.1038/s43588-022-00349-3 · DOI · Paper page
- Y. Shi , S.Zheng, G.Ke, Y.Shen, J.You, J.He, S.Luo, C.Liu, D.He, and T.-Y.Liu, “Benchmarking Graphormer on large-scale molecular modeling datasets,” arXiv:2203.04810 (2022). · arXiv
- 2018, The Alexandria library, a quantum-chemical database of molecular properties for force field development, Sci. Data, 5, 180062, 10.1038/sdata.2018.62 · DOI
- 2023, Accurate medium-range global weather forecasting with 3D neural networks, Nature, 619, 533, 10.1038/s41586-023-06185-3 · DOI · Paper page
- D. Li , Z.Wang, Y.Chen, R.Jiang, W.Ding, and M.Okumura, “A survey on deep active learning: Recent advances and new frontiers,” arXiv:2405.00334 (2024). · arXiv
- 2023, Efficient wafer defect patterns recognition using deep convolutional neural network, 220, 10.1109/cai54212.2023.00102 · DOI
- 2024, Automated industrial load station inspection, 10.1109/IST63414.2024.10759268 · DOI
- 2025, Predictive quality of in-fabrication products in smart manufacturing using graph-based deep learning, 145, 10.5220/0013855100003982 · DOI
- 2023, Wafer map failure pattern classification using geometric transformation-invariant convolutional neural network, Sci. Rep., 13, 8127, 10.1038/s41598-023-34147-2 · DOI
- 2020, Quantifying defects in thin films using machine vision, npj Comput. Mater., 6, 111, 10.1038/s41524-020-00380-w · DOI
- 2020, A general approach to maximise information density in neutron reflectometry analysis, Mach. Learn., 1, 035002, 10.1088/2632-2153/ab94c4 · DOI
- 2021, Towards automated analysis for neutron reflectivity, Mach. Learn., 2, 035006, 10.1088/2632-2153/abe7b5 · DOI
- 2021, Towards reflectivity profile inversion through artificial neural networks, Mach. Learn., 2, 025034, 10.1088/2632-2153/abe564 · DOI
- 2021, Machine learning for neutron reflectometry data analysis of two-layer thin films, Mach. Learn., 2, 035001, 10.1088/2632-2153/abf257 · DOI
- 2021, Neural network analysis of neutron and x-ray reflectivity data: Pathological cases, performance and perspectives, Mach. Learn., 2, 045003, 10.1088/2632-2153/abf9b1 · DOI
- P. S. Savchenkov , K. V.Nikolaev, V. I.Bodnarchuk, A. N.Pirogov, A. V.Belushkin, and S. N.Yakunin, “Multimodal reconstruction of TbCo thin film structure with Bayesian analysis of polarized neutron reflectivity,” arXiv:2405.01243 (2024). · DOI
- 2018, A hybrid multiscale modelling framework for predictive simulations and optimization of thin film deposition processes, Comput. Chem. Eng., 119, 465, 10.1016/j.compchemeng.2018.08.029 · DOI
- 2019, Integrated multiscale modeling and control of atomic layer deposition processes: Linear parameter-varying and neural network-based approaches, Chem. Eng. Res. Des., 151, 131, 10.1016/j.cherd.2019.09.005 · DOI
- 2019, Machine-learning-assisted thin-film growth: Bayesian optimization in molecular beam epitaxy of SrRuO3 thin films, APL Mater., 7, 101114, 10.1063/1.5123019 · DOI
- 2020, Quantified structure zone diagram for sputtered nitride thin films enabled through generative machine learning, Commun. Mater., 1, 15, 10.1038/s43246-020-0017-2 · DOI
- 2025, Quantitative analysis of the prediction performance of a convolutional neural network evaluating the surface elastic energy of a strained film, Comput. Mater. Sci., 249, 113657, 10.1016/j.commatsci.2024.113657 · DOI
- 2025, Data science of the in silico crystallization, Acta Mater., 287, 120762, 10.1016/j.actamat.2025.120762 · DOI
- 2025, Morphology prediction for polymer blend thin films using machine learning, Soft Matter, 21, 5284, 10.1039/D5SM00335K · DOI
- 2025, Autonomous closed-loop exploration of composition-spread films for the anomalous Hall effect, npj Comput. Mater., 11, 329, 10.1038/s41524-025-01828-7 · DOI
- 2025, High-throughput materials exploration system for the anomalous hall effect using combinatorial experiments and machine learning, npj Comput. Mater., 11, 269, 10.1038/s41524-025-01757-5 · DOI
- 2021, Tackling photonic inverse design with machine learning, Adv. Sci., 8, 2002923, 10.1002/advs.202002923 · DOI
- 2024, Machine learning surrogate for 3D phase-field modeling of ferroelectric tip-induced electrical switching, npj Comput. Mater., 10, 197, 10.1038/s41524-024-01375-7 · DOI
- 2021, Self-supervised learning and prediction of microstructure evolution with convolutional recurrent neural networks, Patterns, 2, 100243, 10.1016/j.patter.2021.100243 · DOI
- 2021, Accelerating phase-field-based microstructure evolution predictions via surrogate models trained by machine learning methods, npj Comput. Mater., 7, 3, 10.1038/s41524-020-00471-8 · DOI
- 2023, Prediction of microstructure evolution at the atomic scale by deep generative model in combination with recurrent neural networks, Acta Mater., 259, 119295, 10.1016/j.actamat.2023.119295 · DOI
- 2024, Digital Twins, Simulation, and the Metaverse
- 2022, GraphVAMPNet, using graph neural networks and variational approach to Markov processes for dynamical modeling of biomolecules, J. Chem. Phys., 156, 184103, 10.1063/5.0085607 · DOI
- 2007, Giant tunnel magnetoresistance in magnetic tunnel junctions with a crystalline MgO (0 0 1) barrier, J. Phys. D, 40, R337, 10.1088/0022-3727/40/21/R01 · DOI
- 2018, Matminer: An open source toolkit for materials data mining, Comput. Mater. Sci., 152, 60, 10.1016/j.commatsci.2018.05.018 · DOI
- 2020, Maml - materials machine learning package, GitHub.
- 2019, Deep Learning for the Life Sciences
Metadata
- Authors
- Dobrynin, A., Khaydukov, Y., & Gubbins, M.
- Affiliations
- Seagate (Ireland) (IE)
- Corresponding author
- Dobrynin, A.
- Venue
- Chemical Physics Reviews
- Publisher
- AIP Publishing
- Published
- 2026-03-01
- Volume
- 7
- Issue
- 1
- ISSN
- 2688-4070 (ISSN-L)
- OpenAlex
- W7138329027
- Cited by
- 0
- References
- 12
- FWCI
- 0.00
- Type
- journal article
- Language
- en
- Open access
- diamond
- doi.org
- Locations
- Chemical Physics Reviews (publishedVersion)
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Physical Sciences › Physics and Astronomy › Statistical and Nonlinear Physics › Model Reduction and Neural Networks
- Physical Sciences › Computer Science › Artificial Intelligence › Neural Networks and Applications
- Keywords
- thin film devices, scientific machine learning, deep learning, physics-informed neural networks, inductive bias, materials design, digital twin, manufacturing process control, neural network architecture
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