Towards a universal meta-optics solver via large language models
Authors: Huanshu Zhang, Lei Kang, Yuyan Chen, Luxiang Wang, Zhaolong Cao, Douglas H. Werner
Organizations: The Pennsylvania State University, Department of Electrical Engineering, University Park, PA 16802, USA · School of Electronics and Information Technology, Sun Yat-Sen University, Guangzhou 510275, China
Metasurface design increasingly requires fast models that can operate across structurally distinct device families, rather than retraining a separate surrogate for every geometry class. Conventional neural network surrogates often depend on fixed-dimensional descriptors, family-specific output formats, and repeated architecture tuning, which limits their scalability across heterogeneous meta-atoms. Here, we present a unified large language model (LLM) workflow for multi-family metasurface modeling and inverse-design. Geometries, design parameters, and optical response channels were converted into a shared instruction-following text format and used to fine-tune Gemma-2-9B across 8 metasurface families. Compared with single-family baselines, the joint model simultaneously predicted the optical responses of all metasurface families while reducing the MSE for each family by an average of 56.5%. The same representation was also used for inverse design. These results show that a shared sequence-based LLM interface can provide a practical route to cross-family metasurface design while reducing the need for task-specific surrogate architectures.
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.
Huanshu Zhang, Kegeng Tang, Lei Kang +3
The Pennsylvania State University, Department of Electrical Engineering, University Park, PA 16802, USA · University of Tennessee at Chattanooga, Department of Computer Science and Engineering, Chattanooga, TN 37403, USA
Metasurface inverse design can realize complex optical functionality, but turning a target optical response into executable optimization code still requires substantial expertise in computational electromagnetics and solver-specific software engineering. We present a self-evolving agentic framework that lowers this barrier by coupling a coding agent, explicit human-readable skill files, and a deterministic physics-based evaluator. Rather than updating model weights, it revises the skill files from solver-grounded feedback, while the base model and differentiable solver, which provides the physics simulation and gradients, stay fixed. On a multi-type benchmark, skill evolution raises same-type task success from 38% to 74%, the fraction of physical criteria met from 0.51 to 0.87, and reduces average attempts from 4.10 to 2.30. On two new-type families, success holds near ceiling on one (0.92 to 0.90) and rises from 0.20 to 0.90 on the other. Skill evolution offers a practical path toward autonomous and accessible inverse-design workflows.
Yi Huang, Bowen Zheng, Yunxi Dong +4
Department of Electrical and Computer Engineering, University of Massachusetts Lowell
Future wireless systems are expected to transform the surrounding space from a passive propagation medium into a smart electromagnetic environment, where engineered surfaces control wave propagation, support wireless sensing, and create programmable electromagnetic fingerprints. A key challenge in realizing this vision is the inverse design of metasurfaces for tailored electromagnetic propagation. While forward analysis evaluates the response of a known geometry, the inverse task starts from a prescribed scattering signature and seeks a physically realizable structure that produces it. This inverse task is inherently nonlinear and often high-dimensional, while candidate solutions may be non-unique and provide no direct indication of practical realizability. Here, we introduce a conditional diffusion framework for inverse design of dielectric resonator metasurfaces from target angular scattering patterns. Trained on T-matrix simulated geometry-response pairs, the model learns a conditional distribution of geometries instead of a deterministic mapping, enabling multiple candidate designs for the ill-posed inverse problem. The best generated metasurface achieves a mean percentage error of 1.39%, outperforming CMA-ES optimization (4.1% after 10 h) while requiring only about one minute for after-training inference. The model also produces lower error distributions than deterministic neural baselines for out-of-distribution spectra, highlighting the potential of diffusion models for efficient metasurface design.