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Machine learning enhances X-ray imaging of nanotextures

AIHub

From Real-space imaging of polar and elastic nano-textures in thin films via inversion of diffraction data, reproduced under a CC BY 4.0 licence. Using a combination of high-powered X-rays, phase-retrieval algorithms and machine learning, researchers revealed the intricate nanotextures in thin-film materials, offering scientists a new, streamlined approach to analyzing potential candidates for quantum computing and microelectronics, among other applications. Scientists are especially interested in nanotextures that are distributed non-uniformly throughout a thin film because they can give the material novel properties. The most effective way to study the nanotextures is to visualize them directly, a challenge that typically requires complex electron microscopy and does not preserve the sample. The new imaging technique overcomes these challenges by using phase retrieval and machine learning to invert conventionally-collected X-ray diffraction data – such as that produced at the Cornell High Energy Synchrotron Source, where data for the study was collected – into real-space visualization of the material at the nanoscale.


Interdisciplinary Discovery of Nanomaterials Based on Convolutional Neural Networks

Xie, Tong, Wan, Yuwei, Li, Weijian, Linghu, Qingyuan, Wang, Shaozhou, Cai, Yalun, Liu, Han, Kit, Chunyu, Grazian, Clara, Hoex, Bram

arXiv.org Artificial Intelligence

The material science literature contains up-to-date and comprehensive scientific knowledge of materials. However, their content is unstructured and diverse, resulting in a significant gap in providing sufficient information for material design and synthesis. To this end, we used natural language processing (NLP) and computer vision (CV) techniques based on convolutional neural networks (CNN) to discover valuable experimental-based information about nanomaterials and synthesis methods in energy-material-related publications. Our first system, TextMaster, extracts opinions from texts and classifies them into challenges and opportunities, achieving 94% and 92% accuracy, respectively. Our second system, GraphMaster, realizes data extraction of tables and figures from publications with 98.3\% classification accuracy and 4.3% data extraction mean square error. Our results show that these systems could assess the suitability of materials for a certain application by evaluation of synthesis insights and case analysis with detailed references. This work offers a fresh perspective on mining knowledge from scientific literature, providing a wide swatch to accelerate nanomaterial research through CNN.