AI让电子显微镜从看图转向科学推理,实现纳米颗粒的智能分析
The evolution of AI from image interpretation toward scientific inference in nanoparticle electron microscopy
- 融合深度学习与物理约束,实现原子级结构重建与缺陷识别
- 支持从二维图像推断三维结构,动态过程实时解析
- 适合材料科学、计算成像及自主实验系统研究者
人工智能正推动电子显微镜从定性成像转向数据驱动的定量分析与科学推理。本文综述了用于纳米颗粒表征的AI方法,涵盖透射电镜(TEM)、高分辨透射电镜(HRTEM)、扫描透射电镜(STEM)和原位电镜。重点解决粒子检测、分割、形貌量化、原子分辨率修复、缺陷识别、二维到三维结构推断及动态过程分析等挑战。涵盖传统机器学习、卷积神经网络、变换器架构、自监督学习、基础模型、多模态AI与物理信息学习。讨论了将实验数据与模拟、元数据及自主实验结合,建立结构、动力学、合成条件与功能性质之间的关联。评估现有方法的优势、局限、基准测试与数据需求。展望基础模型、AI引导显微、闭环实验与自主材料发现的前景。通过融合计算机视觉、材料信息学与电子显微技术,凸显AI在下一代纳米颗粒表征与加速材料发现中的关键作用。
原文摘要 · Abstract (English)
Artificial intelligence (AI) is transforming electron microscopy by enabling quantitative analysis of increasingly large and complex datasets for nanoparticle characterization. Recent advances in machine learning (ML) and deep learning (DL) have expanded microscopy from a descriptive imaging technique into a data-driven platform for structural interpretation, dynamic analysis, and scientific inference. This review examines AI methodologies for nanoparticle electron microscopy, focusing on transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM), and in situ TEM. The discussion is organized around the principal challenges in nanoparticle characterization, including particle detection, segmentation, morphology quantification, atomic-resolution restoration, defect identification, two-dimensional-to-three-dimensional structural inference, and analysis of dynamic processes in situ. We review computational approaches from conventional ML and convolutional neural networks to transformer architectures, self-supervised learning, foundation models, multimodal AI, and physics-informed learning. We further discuss integrating microscopy data with simulations, metadata, and autonomous experimentation to relate nanoparticle structure, dynamics, synthesis conditions, and functional properties. The advantages, limitations, benchmarking, and data requirements of current methodologies are critically assessed. Finally, emerging opportunities for foundation models, AI-guided microscopy, closed-loop experimentation, and autonomous materials discovery are discussed. By integrating advances across computer vision, materials informatics, and electron microscopy, this review highlights the role of AI in next-generation nanoparticle characterization and accelerated materials discovery.
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