High‐Asymmetry Metasurface: A New Solution for Terahertz Resonance via Active Learning‐Augmented Diffusion Model

A prior knowledge‐guided diffusion model augmented by physics‐constrained active learning is developed to design high‐asymmetry terahertz metamaterials. Trained on only a small set of classical structures, the model efficiently generates new high‐metrics designs. Experimental results confirm notable improvements and reveal multi‐resonance phenomena, highlighting the method's capability to overcome data limitations and discover novel metamaterial solutions. Abstract Terahertz (THz) metamaterials with high‐figure‐of‐merit (high‐FoM) performance resonance are essential for advancing sensors, detectors, and imagers. Conventional designs focus on symmetric or low‐asymmetry geometric structures, leaving high‐asymmetry designs largely unexplored due to the inefficiency of trial‐and‐error‐based rational design. Recent deep learning techniques offer automation and acceleration but are constrained by the need for large datasets inherent to their data‐driven nature. Here, a novel prior knowledge‐guided generative model augmented by a physics‐constrained active learning mechanism to design high‐asymmetry metamaterials. An advanced diffusion model learns features from a small set of classical structures with high‐FoM THz resonance and generates new high‐asymmetry structures. To mitigate the limited number of classical structures, the generated high‐asymmetry structures are actively selected and integrated into the initial training dataset based on their physical characteristics. Experimental results demonstrate the superior resonance performance of the generated high‐asymmetry metamaterials over classical designs, exhibiting improvements exceeding 30% in key resonance metrics. Remarkably, this performance is attained using only 68 classical structures as the initial training dataset, significantly reducing the data requirements for deep learning‐based metamaterial design. The proposed scheme for generating high‐asymmetry structures provides a new effective and efficient solution for high‐FoM resonance, expanding applications in high‐sensitivity THz metadevices. A prior knowledge-guided diffusion model augmented by physics-constrained active learning is developed to design high-asymmetry terahertz metamaterials. Trained on only a small set of classical structures, the model efficiently generates new high-metrics designs. Experimental results confirm notable improvements and reveal multi-resonance phenomena, highlighting the method's capability to overcome data limitations and discover novel metamaterial solutions. Abstract Terahertz (THz) metamaterials with high-figure-of-merit (high-FoM) performance resonance are essential for advancing sensors, detectors, and imagers. Conventional designs focus on symmetric or low-asymmetry geometric structures, leaving high-asymmetry designs largely unexplored due to the inefficiency of trial-and-error-based rational design. Recent deep learning techniques offer automation and acceleration but are constrained by the need for large datasets inherent to their data-driven nature. Here, a novel prior knowledge-guided generative model augmented by a physics-constrained active learning mechanism to design high-asymmetry metamaterials. An advanced diffusion model learns features from a small set of classical structures with high-FoM THz resonance and generates new high-asymmetry structures. To mitigate the limited number of classical structures, the generated high-asymmetry structures are actively selected and integrated into the initial training dataset based on their physical characteristics. Experimental results demonstrate the superior resonance performance of the generated high-asymmetry metamaterials over classical designs, exhibiting improvements exceeding 30% in key resonance metrics. Remarkably, this performance is attained using only 68 classical structures as the initial training dataset, significantly reducing the data requirements for deep learning-based metamaterial design. The proposed scheme for generating high-asymmetry structures provides a new effective and efficient solution for high-FoM resonance, expanding applications in high-sensitivity THz metadevices. Advanced Science, Volume 13, Issue 2, 9 January 2026.