Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical, inverse methods that frame design as a constrained optimization problem present an attractive alternative. However, even efficient algorithms require time- and resource-intensive characterization of material properties many times during optimization, imposing a design bottleneck. Approaches that incorporate machine learning can help address this limitation and accelerate the discovery of materials with targeted properties. In this article, we review how to leverage machine learning to reduce dimensionality in order to effectively explore design space, accelerate property evaluation, and generate unconventional material structures with optimal properties. We also discuss promising future directions, including integration of machine learning into multiple stages of a design algorithm and interpretation of machine learning models to understand how design parameters relate to material properties.
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Data-driven design of thin-film optical systems using deep active learning
A deep learning aided optimization algorithm for the design of flat thin-film multilayer optical systems is developed. The authors introduce a deep generative neural network, based on a variational autoencoder, to perform the optimization of photonic devices. This algorithm allows one to find a near-optimal solution to the inverse design problem of creating an anti-reflective grating, a fundamental problem in material science. As a proof of concept, the authors demonstrate the method’s capabilities for designing an anti-reflective flat thin-film stack consisting of multiple material types. We designed and constructed a dielectric stack on silicon that exhibits an average reflection of 1.52 %, which is lower than other recently published experiments in the engineering and physics literature. In addition to its superior performance, the computational cost of our algorithm based on the deep generative model is much lower than traditional nonlinear optimization algorithms. These results demonstrate that advanced concepts in deep learning can drive the capabilities of inverse design algorithms for photonics. In addition, the authors develop an accurate regression model using deep active learning to predict the total reflectivity for a given optical system. The surrogate model of the governing partial differential equations can then be broadly used in the design of optical systems and to rapidly evaluate their behavior.
more » « less- Award ID(s):
- 2111283
- NSF-PAR ID:
- 10531275
- Publisher / Repository:
- Optical Society of America
- Date Published:
- Journal Name:
- Optics Express
- Volume:
- 30
- Issue:
- 13
- ISSN:
- 1094-4087; OPEXFF
- Format(s):
- Medium: X Size: Article No. 22901
- Size(s):
- Article No. 22901
- Sponsoring Org:
- National Science Foundation
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