用流匹配实现可变材料与厚度的光学多层膜逆向设计，无需重训练即可跨材料库泛化。
Joint Discrete-Continuous Flow Matching for Open-Vocabulary Inverse Design of Multilayer Optical Coatings
- query时动态选择材料与厚度，结合离散与连续流匹配生成光谱响应。
- 单模型支持2-100层设计，15种未见材料仍保持近似精度，波段外推达1100nm。
- 可直接指导实际镀膜制造，三色器件色差仅3.1-5.2，近红外反射率93-95%。
神经逆向设计通常局限于封闭词汇：组件选择、坐标网格固定，连续变量需离散化。多层光学涂层是工业重要实例，涉及材料序列、层厚与波长依赖响应。我们提出IrisFlow，一种基于查询的开放词汇流匹配框架：目标反射/透射光谱、波长网格、候选材料光学常数及层数在查询时提供。候选材料以波长感知光学标记形式输入，不依赖预训练标识；材料序列通过离散流匹配从查询候选池采样，厚度通过无离散化的连续流匹配生成。单一136M参数模型可设计2-100层堆栈。在224任务基准上准确重建分布内目标，对15种未见材料候选库保持同阶精度且无需重训练；可外推至训练范围外1100nm波段，按解析应用规范设计，优于自回归基线在基线材料库上的表现。光学常数经镀膜工艺校准后，IrisFlow设计出四款彩色冷却器，离子辅助蒸发制备：三种色彩器件达到CIEDE2000色差3.1-5.2，同时保持93-95%太阳近红外反射率，证明开放词汇设计可成功落地于实物涂层。
原文摘要 · Abstract (English)
Amortized neural inverse design typically remains closed-world: component choices are fixed vocabulary tokens, coordinate grids are frozen at training time, and continuous variables are discretized into sequence tokens. Multilayer optical coatings are an industrially important instance, coupling material sequence, layer thickness and wavelength-dependent response. We present IrisFlow, a query-based, open-vocabulary flow-matching framework instantiated in coatings: the target reflectance/transmittance spectrum, wavelength grid, candidate-material optical constants and layer count are supplied at query time. Candidate materials enter as wavelength-aware optical tokens rather than learned identities; material sequences are sampled by discrete flow matching over the query's candidate bank, thicknesses by continuous flow matching without discretization. A single 136M-parameter model designs 2-100-layer stacks. Across a 224-task benchmark it reconstructs in-distribution targets faithfully and retains same-order accuracy on a 15-material held-out bank without retraining; it reconstructs bands up to 1100 nm beyond its training envelope, designs against analytic application specifications and outperforms an autoregressive baseline on that baseline's material library. With optical constants calibrated to our deposition process, IrisFlow designs four color-displaying coolers, fabricated by ion-assisted evaporation: the three chromatic devices reach a CIEDE2000 color error of 3.1-5.2 while retaining 93-95% solar near-infrared reflectance, demonstrating open-vocabulary design carried through to fabricated coatings.
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