Learning Design Skills as Memory Policies for Agentic Photonic Inverse Design

The rapid development of photonic integrated circuits (PICs) is shifting the design flow from traditional graphical user interface (GUI)-based methods to script-based methods for higher flexibility, portability, and maintainability. However, script-based design introduces new challenges, requiring designers to possess additional proficiency in tool application programming interfaces (APIs) and programming. It also demands greater effort and time because it is inherently less intuitive and more complex than GUI-based methods. As PICs grow in scale and complexity, the productivity gap between design needs and manual scripting capabilities continues to widen. To address this gap, we introduce PICopilot, the first large language model (LLM)-based agentic framework that assists in PIC design via automated design script generation from natural language instructions. PICopilot leverages a multi-agent architecture with a feedback mechanism and a specifically designed retrieval-augmented generation (RAG) pipeline, achieving a high success rate and reliability. Experimental results on a benchmark of diverse PIC scripting tasks demonstrate that PICopilot successfully completes all 48 tasks and outperforms other LLM-based approaches without incurring substantial extra latency or cost, even solving 21 more tasks than the advanced GPT-5 model with a general RAG pipeline.

Photonic-crystal surface-emitting lasers (PCSELs) can combine high-power operation with narrow-divergence surface emission, but optimizing coupled parameters requires costly full-wave simulations. Deep Q-network (DQN) optimization can reuse simulated transitions to guide edits, yet which value-learning mechanisms remain reliable under tight simulation budgets is unknown. We address this gap by comparing baseline DQN and six value-based variants for a seven-variable PCSEL design under a shared objective, simulator, 83-call budget, and four matched initializations. Beyond endpoints, we analyze sample efficiency, policy behavior, and physical response to separate learning gains from favorable starts or exploratory jumps. Dueling DQN is the only variant to improve all four seeds. Relative to the first evaluated designs, its selected structures increase the mean quality factor () from to (), reduce wavelength error by 64%, and increase upward power by 47%; compared with baseline DQN, they achieve a higher mean under the same budget. Other variants yield no consistent improvement; Double DQN reproduces baseline trajectories, while Rainbow-lite shows high upside but strong seed dependence. These results identify Dueling DQN as the most reliable configuration tested for simulation-budget-limited PCSEL inverse design and provide a reproducible framework for attributing algorithmic gains in scientific optimization. The source code is publicly available at https://github.com/Longying-Wen/PCSEL-RL.

Inverse design aims to find design parameters $x$ achieving target performance $y^*$. Generative approaches learn bidirectional mappings between designs and labels, enabling diverse solution sampling. However, standard conditional flow matching (CFM), when adapted to inverse problems by pairing labels with design parameters, exhibits strong sensitivity to their arbitrary ordering and scaling, leading to unstable training. We introduce Diagonal Flow Matching (Diag--CFM), which resolves this through a zero-anchoring strategy that pairs design coordinates with noise and labels with zero, making the learning problem provably invariant to coordinate permutations. This yields substantially lower round-trip error than CFM and invertible neural network baselines across design dimensions up to $P{=}784$, including order-of-magnitude gains on several benchmarks. We develop two architecture-intrinsic uncertainty metrics, Zero-Deviation and Self-Consistency, that enable three practical capabilities: selecting the best candidate among multiple generations, abstaining from unreliable predictions, and detecting out-of-distribution targets; consistently outperforming ensemble and general-purpose alternatives across all tasks. We validate on airfoil, gas turbine combustor, scalable analytical benchmarks, a photonics inverse-design task, and an image-statistics benchmark.