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Constructing of molecular structural models from Cryo-Electron Microscopy (Cryo-EM) density volumes is the critical last step of structure determination by Cryo-EM technologies. Methods have evolved from manual construction by structural…

Machine Learning · Computer Science 2019-02-13 Kui Xu , Zhe Wang , Jiangping Shi , Hongsheng Li , Qiangfeng Cliff Zhang

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Biomolecules · Quantitative Biology 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

Automated Aerial Triangulation (AAT), aiming to restore image pose and reconstruct sparse points simultaneously, plays a pivotal role in earth observation. With its rich research heritage spanning several decades in photogrammetry, AAT has…

Computer Vision and Pattern Recognition · Computer Science 2024-04-09 Zequan Chen , Jianping Li , Qusheng Li , Bisheng Yang , Zhen Dong

The robust approach for real-time analysis of the scanning transmission electron microscopy (STEM) data streams, based on the ensemble learning and iterative training (ELIT) of deep convolutional neural networks, is implemented on an…

Disordered Systems and Neural Networks · Physics 2022-07-27 Kevin M. Roccapriore , Matthew G. Boebinger , Ondrej Dyck , Ayana Ghosh , Raymond R. Unocic , Sergei V. Kalinin , Maxim Ziatdinov

Dual-energy computed tomography (DECT) enables material-specific imaging through acquisitions at two different X-ray energy spectra. Material decomposition from DECT data is an ill-posed inverse problem that is highly sensitive to noise…

Deep learning based approaches have been used to improve image quality in cone-beam computed tomography (CBCT), a medical imaging technique often used in applications such as image-guided radiation therapy, implant dentistry or…

Computer Vision and Pattern Recognition · Computer Science 2024-03-28 Mohammadreza Amirian , Daniel Barco , Ivo Herzig , Frank-Peter Schilling

We determined a full 3D atomic structure of a dumbbell-shaped Pt nanoparticle formed by a coalescence of two nanoclusters using deep learning assisted atomic electron tomography. Formation of double twin boundary was clearly observed at the…

Materials Science · Physics 2022-02-09 Juhyeok Lee , Chaehwa Jeong , Yongsoo Yang

Directed atomic fabrication using an aberration-corrected scanning transmission electron microscope (STEM) opens new pathways for atomic engineering of functional materials. In this approach, the electron beam is used to actively alter the…

Electrical tomography techniques have been widely employed for multiphase-flow monitoring owing to their non invasive nature, intrinsic safety, and low cost. Nevertheless, conventional reconstructions struggle to capture fine details, which…

Image and Video Processing · Electrical Eng. & Systems 2025-12-23 Wejian Yan

Atomic resolution imaging in transmission electron microscopy (TEM) and scanning TEM (STEM) of light elements in electron-transparent materials has long been a challenge. Biomolecular materials, for example, are rapidly altered when…

Instrumentation and Detectors · Physics 2018-12-05 Fehmi S. Yasin , Tyler R. Harvey , Jordan J. Chess , Jordan S. Pierce , Colin Ophus , Peter Ercius , Benjamin J. McMorran

Cryo-electron microscopy (cryo-EM) has become a major experimental technique to determine the structures of large protein complexes and molecular assemblies, as evidenced by the 2017 Nobel Prize. Although cryo-EM has been drastically…

Biomolecules · Quantitative Biology 2021-06-01 Dong Si , Andrew Nakamura , Runbang Tang , Haowen Guan , Jie Hou , Ammaar Firozi , Renzhi Cao , Kyle Hippe , Minglei Zhao

Artificial Neural Networks are computational network models inspired by signal processing in the brain. These models have dramatically improved the performance of many learning tasks, including speech and object recognition. However,…

How can prior knowledge on the transformation invariances of a domain be incorporated into the architecture of a neural network? We propose Equivariant Transformers (ETs), a family of differentiable image-to-image mappings that improve the…

Computer Vision and Pattern Recognition · Computer Science 2019-05-28 Kai Sheng Tai , Peter Bailis , Gregory Valiant

Atomic resolution electron microscopy, particularly high-angle annular dark-field scanning transmission electron microscopy, has become an essential tool for many scientific fields, when direct visualization of atomic arrangements and…

Electrical Impedance Tomography (EIT) is a powerful tool for non-destructive evaluation, state estimation, and process tomography - among numerous other use cases. For these applications, and in order to reliably reconstruct images of a…

Signal Processing · Electrical Eng. & Systems 2020-01-31 Danny Smyl , Dong Liu

Deep learning techniques have opened a new venue for electronic structure theory in recent years. In contrast to traditional methods, deep neural networks provide much more expressive and flexible wave function ansatz, resulting in better…

Chemical Physics · Physics 2021-09-08 Xiang Li , Cunwei Fan , Weiluo Ren , Ji Chen

We present E NERGY N ET , a new framework for analyzing and building artificial neural network architectures. Our approach adaptively learns the structure of the networks in an unsupervised manner. The methodology is based upon the…

Machine Learning · Computer Science 2017-11-10 Gus Kristiansen , Xavi Gonzalvo

Scanning transmission electron microscopy (STEM) has advanced rapidly in the last decade thanks to the ability to correct the major aberrations of the probe forming lens. Now atomic-sized beams are routine, even at accelerating voltages as…

Dynamic analysis of structures subjected to earthquake excitation is a time-consuming process, particularly in the case of extremely small time step required, or in the presence of high geometric and material nonlinearity. Performing…

Machine Learning · Computer Science 2021-11-30 Xiao Pan , Zhizhao Wen , T. Y. Yang

This paper introduces a new approach for solving electrical impedance tomography (EIT) problems using deep neural networks. The mathematical problem of EIT is to invert the electrical conductivity from the Dirichlet-to-Neumann (DtN) map.…

Computational Physics · Physics 2020-01-29 Yuwei Fan , Lexing Ying
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