用AI设计光学薄膜,又能快又能懂,还能灵活调整材料。
Interpretable inverse design of optical multilayer thin films based on extended neural adjoint and regression activation mapping
- 用改进的神经伴随法,实现高效且可解释的光学多层膜逆向设计。
- 加入材料损失函数后,设计准确率和多样性显著提升。
- 适合需要透明原理的光学器件研发人员使用。
我们提出扩展神经伴随(ENA)框架,满足人工智能辅助光学多层膜(OMTs)逆向设计的六项关键标准:准确性、效率、多样性、可扩展性、灵活性与可解释性。为提升现有神经伴随方法的可扩展性,我们设计了一种新型前向神经网络架构用于OMTs,并在原有神经伴随损失函数中引入材料损失函数,促进对OMT材料配置的探索。此外,我们详细推导了所提前向神经网络架构的回归激活映射(F-RAM),这是一种旨在增强可解释性的特征可视化方法。通过消融实验验证材料损失的有效性,系统移除损失函数各组件后发现,材料损失的引入显著提升了准确性和多样性。为验证基于ENA的逆向设计性能,我们将其与基于残差网络的全局优化网络(Res-GLOnet)进行对比,结果表明ENA生成的OMT解具有更高准确率和更好多样性。为展示可解释性,我们将F-RAM应用于由所提ENA方法获得的多种光学性质相似的OMT结构,结果显示尽管材料配置、层数和厚度存在差异,但其特征重要性分布仍保持一致。此外,我们通过将OMT初始层限制为SiO2且厚度为100 nm,展示了ENA方法的灵活性。
原文摘要 · Abstract (English)
We propose an extended neural adjoint (ENA) framework, which meets six key criteria for artificial intelligence-assisted inverse design of optical multilayer thin films (OMTs): accuracy, efficiency, diversity, scalability, flexibility, and interpretability. To enhance the scalability of the existing neural adjoint method, we present a novel forward neural network architecture for OMTs and introduce a material loss function into the existing neural adjoint loss function, facilitating the exploration of material configurations of OMTs. Furthermore, we present the detailed formulation of the regression activation mapping for the presented forward neural network architecture (F-RAM), a feature visualization method aimed at improving interpretability. We validated the efficacy of the material loss by conducting an ablation study, where each component of the loss function is systematically removed and evaluated. The results indicated that the inclusion of the material loss significantly improves accuracy and diversity. To substantiate the performance of the ENA-based inverse design, we compared it against the residual network-based global optimization network (Res-GLOnet). The ENA yielded the OMT solutions of an inverse design with higher accuracy and better diversity compared to the Res-GLOnet. To demonstrate the interpretability, we applied F-RAM to diverse OMT structures with similar optical properties, obtained by the proposed ENA method. We showed that distributions of feature importance for various OMT structures exhibiting analogous optical properties are consistent, despite variations in material configurations, layer number, and thicknesses. Furthermore, we demonstrate the flexibility of the ENA method by restricting the initial layer of OMTs to SiO2 and 100 nm.
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