arXiv:2609.07046cs.LG2026-09

用TCAD生成数据训练AI,让机器达到工程师水平的器件设计与缺陷发现能力。

AI and TCAD for Inverse Design and Defect Discovery: From Simple Machine Learning to LLM

  • 基于TCAD数据与自编码器学习器件隐含物理规律
  • 仅用非破坏性电学数据逆推PN结厚度、掺杂等参数变化
  • 结合大语言模型实现自动化器件设计与缺陷检测

人工智能已革新多个工程领域,但在半导体器件设计与缺陷发现中的应用仍受限于数据稀少和维度灾难。本文探讨利用技术计算机辅助设计(TCAD)生成精确数据,推动仿真增强型机器学习的发展。我们证明,仅需极少领域知识即可训练出性能媲美器件工程师的机器模型。通过自编码器与噪声工程处理TCAD数据,模型能有效学习隐含物理机制,并无缝迁移至实验数据。演示了仅用非破坏性电学数据逆向推导PiN二极管层厚变化、Ga2O3肖特基二极管掺杂与阳极功函数变化、反相器中晶体管接触电阻等复杂任务;还构建了FinFET IV/CV预测模型,实现晶体管图像与IV曲线间的映射,以及仅由经验丰富的TCAD工程师可完成的Ga2O3肖特基二极管参数自动校准。为充分释放AI潜力,本文提出大语言模型(LLMs)与多模态大语言模型(MLLMs)在自动化创建TCAD命令文件及未来全自动器件设计与缺陷发现中的关键作用。

原文摘要 · Abstract (English)

AI has revolutionized various engineering domains, but its impact on semiconductor device design and defect discovery is still limited, due to limited data and the curse of dimensionality. In this paper, we will discuss our work on using the Technology Computer-Aided-Design (TCAD) to generate precise data needed for machine learning (ML) to enable simulation-augmented ML. We demonstrate that with minimal domain expertise, it is possible to create a machine that performs as well as a device engineer on a specific task. We will show that auto-encoder-based machine learning models and noise engineering applied to TCAD data are effective at learning latent physics, and that the models can be seamlessly applied to experimental data. We will demonstrate how to build a device-engineer-level model step by step through various examples, including using only non-destructive electrical data to inverse-engineer the PiN diode layer thickness variations, the Ga2O3 Schottky diode doping and anode workfunction variations, and the transistor contact resistance in an inverter. Examples also include the generation of a FinFET IV/CV prediction model, the mapping between transistor images and IV curves, and the automatic calibration of TCAD parameters for a Ga2O3 Schottky diode, which can only be handled well by experienced TCAD engineers. Finally, to fully realize the potential of AI, large language models (LLMs) and multimodal LLMs (MLLMs) are believed to be necessary. We will discuss the application of LLMs to TCAD command file creation and our vision for MLLMs in automated device design and defect discovery.

AI设计TCAD逆向设计缺陷发现

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