A Comprehensive Review of Large Language Models for Nanophotonics: From Surrogate Modeling to Autonomous Design

Metasurfaces have revolutionized the development of photonic devices by enabling unprecedented precision in light manipulation. However, their design processes are often constrained by computationally expensive simulations and complex high-dimensional design spaces. Although deep learning has accelerated the design process by serving as a surrogate model, it remains constrained by task-specific architectures and lacks universal reasoning capabilities. This review surveys how Large Language Models (LLMs) are adding semantic interfaces, code generation, and tool orchestration to established numerical nanophotonic workflows. We first outline the development from classical neural networks to transformer-based models and their applications in nanophotonic design. We then review the emergence of LLM-related methods in nanophotonics and organize them into two operational modes: surrogate models that treat structure-spectrum mapping as a language task, and agentic systems that have been demonstrated to generate code, orchestrate selected simulation steps, and support closed-loop optimization. Furthermore, to identify future cross-disciplinary opportunities, we briefly explore applications of LLMs in research fields such as materials science and wireless communications. This review concludes by looking ahead to the next generation of multimodal foundation models with physical perception capabilities. In this vision, artificial intelligence is evolving from passive tools into active collaborators, participating in autonomous scientific discovery.

Two-Stage Deformable-Convolutional Inverse Design of Nanophotonic Absorbers from Optical Spectra

Data-driven inverse design enables efficient generation of nanophotonic structures with prescribed optical responses, but spectrum-to-geometry mapping remains challenging due to non-uniqueness and fine geometric features. This work presents a two-stage deformable-convolutional framework for reconstructing metal--insulator--metal resonator geometries from 80-dimensional absorption spectra. The spectrum is projected to a $150\times4\times4$ latent representation and decoded into a $64\times64$ resonator mask. Training combines supervised reconstruction with least-squares adversarial refinement initialized from the best supervised checkpoint. A three-run ablation compares deformable convolution with plain convolution, involution, Dynamic Conv, and ODConv under the same architecture. The proposed model achieves $20.79\pm0.31$~dB PSNR and $0.8501\pm0.0082$ SSIM, improving over plain convolution by 2.16~dB and 0.0831, respectively. It further achieves Dice $0.9623\pm0.0027$, IoU $0.9342\pm0.0038$, and boundary F-score $0.9550\pm0.0027$. Spectral consistency evaluated using a frozen forward surrogate yields RMSE $0.0805\pm0.0013$ and $R^2=0.7923\pm0.0065$. Learned offsets show stronger adaptive sampling at coarse and intermediate decoder stages. Overall, deformable sampling with supervised initialization and adversarial refinement improves spectrum-conditioned geometry reconstruction.

Neural Operator-enabled Topology-informed Evolutionary Strategy for PDE-Constrained Optimization

The inverse design of physical systems governed by partial differential equations is computationally demanding due to the high dimensionality and non-convexity of design spaces. Generative models for inverse design often lack robustness and transferability, whereas evolutionary strategies are robust but struggle in high-dimensional spaces. This paper introduces a Neural Operator-enabled Topology-informed Evolutionary Strategy (NOTES) that integrates dimensionality reduction, representation learning, and evolutionary optimization for efficient and transferable inverse design. NOTES couples a DeepONet-based neural operator with the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) to perform global optimization in a compact latent space that encodes topology-aware priors while discovering high-performance designs for unseen operating conditions. Applied to nanophotonic beam-deflector inverse design governed by Maxwell's equations, NOTES reduces the design dimensionality from 256 to 25 and consistently achieves over 95 percent efficiency, outperforming CMA-ES, topology optimization, and other baselines. Applied to structural optimization, NOTES discovers designs that achieve compliance down to 246. By decoupling topology learning of a DeepONet from the governing physics in a PDE solver, NOTES provides a flexible and transferable framework for the inverse design of physical systems.