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Recent advances in scanning transmission electron and scanning probe microscopies have opened exciting opportunities in probing the materials structural parameters and various functional properties in real space with angstrom-level…

Atom segmentation and localization, noise reduction and deblurring of atomic-resolution scanning transmission electron microscopy (STEM) images with high precision and robustness is a challenging task. Although several conventional…

Materials Science · Physics 2021-02-23 Ruoqian Lin , Rui Zhang , Chunyang Wang , Xiao-Qing Yang , Huolin L. Xin

PHOTONAI is a high-level Python API designed to simplify and accelerate machine learning model development. It functions as a unifying framework allowing the user to easily access and combine algorithms from different toolboxes into custom…

Different aspects of a clinical sample can be revealed by multiple types of omics data. Integrated analysis of multi-omics data provides a comprehensive view of patients, which has the potential to facilitate more accurate clinical decision…

Machine Learning · Computer Science 2020-02-11 Xiaoyu Zhang , Jingqing Zhang , Kai Sun , Xian Yang , Chengliang Dai , Yike Guo

Computer vision techniques have immense potential for materials design applications. In this work, we introduce an integrated and general-purpose AtomVision library that can be used to generate, curate scanning tunneling microscopy (STM)…

Materials Science · Physics 2023-03-06 Kamal Choudhary , Ramya Gurunathan , Brian DeCost , Adam Biacchi

Recent advances in (scanning) transmission electron microscopy have enabled routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for…

Data Analysis, Statistics and Probability · Physics 2022-11-08 Ayana Ghosh , Maxim Ziatdinov , Ondrej Dyck , Bobby Sumpter , Sergei V. Kalinin

Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Yaotian Yang , Yiwen Tang , Yizhe Chen , Xiao Chen , Jiangjie Qiu , Hao Xiong , Haoyu Yin , Zhiyao Luo , Yifei Zhang , Sijia Tao , Wentao Li , Qinghua Zhang , Yuqiang Li , Wanli Ouyang , Bin Zhao , Xiaonan Wang , Fei Wei

Machine learning is an important tool for analyzing high-dimension hyperspectral data; however, existing software solutions are either closed-source or inextensible research products. In this paper, we present cuvis.ai, an open-source and…

Machine Learning · Computer Science 2024-11-19 Nathaniel Hanson , Philip Manke , Simon Birkholz , Maximilian Mühlbauer , Rene Heine , Arnd Brandes

fastai is a deep learning library which provides practitioners with high-level components that can quickly and easily provide state-of-the-art results in standard deep learning domains, and provides researchers with low-level components…

Machine Learning · Computer Science 2020-02-21 Jeremy Howard , Sylvain Gugger

Deep learning computer vision techniques have achieved many successes in recent years across numerous imaging domains. However, the application of deep learning to spectral data remains a complex task due to the need for augmentation…

Image and Video Processing · Electrical Eng. & Systems 2021-08-18 Conor C. Horgan , Mads S. Bergholt

The proliferation of spectroscopic data across various scientific and engineering fields necessitates automated processing. We introduce OASIS (Omni-purpose Analysis of Spectra via Intelligent Systems), a machine learning (ML) framework for…

Machine Learning · Computer Science 2025-09-16 Chris Young , Juejing Liu , Marie L. Mortensen , Yifu Feng , Elizabeth Li , Zheming Wang , Xiaofeng Guo , Kevin M. Rosso , Xin Zhang

KonfAI is a modular, extensible, and fully configurable deep learning framework specifically designed for medical imaging tasks. It enables users to define complete training, inference, and evaluation workflows through structured YAML…

Computer Vision and Pattern Recognition · Computer Science 2025-10-15 Valentin Boussot , Jean-Louis Dillenseger

Predicting materials properties from composition or structure is of great interest to the materials science community. Deep learning has recently garnered considerable interest in materials predictive tasks with low model errors when…

Materials Science · Physics 2021-11-01 Chi Chen , Shyue Ping Ong

The advent of high-resolution electron and scanning probe microscopy imaging has opened the floodgates for acquiring atomically resolved images of bulk materials, 2D materials, and surfaces. This plethora of data contains an immense volume…

Electron, optical, and scanning probe microscopy methods are generating ever increasing volume of image data containing information on atomic and mesoscale structures and functionalities. This necessitates the development of the machine…

Machine Learning · Computer Science 2023-04-03 Mani Valleti , Yongtao Liu , Sergei Kalinin

Molecule-and-text cross-modal representation learning has emerged as a promising direction for enhancing the quality of molecular representation, thereby improving performance in various scientific fields. However, most approaches employ a…

Quantitative Methods · Quantitative Biology 2025-03-04 Yikun Zhang , Geyan Ye , Chaohao Yuan , Bo Han , Long-Kai Huang , Jianhua Yao , Wei Liu , Yu Rong

Photoacoustic imaging (PAI) is a non-invasive imaging modality that detects the ultrasound signal generated from tissue with light excitation. Photoacoustic computed tomography (PACT) uses unfocused large-area light to illuminate the target…

Image and Video Processing · Electrical Eng. & Systems 2022-04-13 Hengrong Lan , Jiali Gong , Fei Gao

In this paper, we present OpenMedIA, an open-source toolbox library containing a rich set of deep learning methods for medical image analysis under heterogeneous Artificial Intelligence (AI) computing platforms. Various medical image…

Image and Video Processing · Electrical Eng. & Systems 2022-09-09 Jia-Xin Zhuang , Xiansong Huang , Yang Yang , Jiancong Chen , Yue Yu , Wei Gao , Ge Li , Jie Chen , Tong Zhang

Diffractive deep neural network (D2NN), known for its high speed and strong parallelism, has been widely applied across various fields, including pattern recognition, image processing, and image transmission. However, existing network…

Applied Physics · Physics 2025-03-24 Peijie Feng , Yong Tan , Mingzhe Chong , Lintao Li , Zongkun Zhang , Fubei Liu , Yunhua Tan , Yongzheng Wen
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