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Technology to recognize the type of component represented by a point cloud is required in the reconstruction process of an as-built model of a process plant based on laser scanning. The reconstruction process of a process plant through…

Computer Vision and Pattern Recognition · Computer Science 2019-12-30 Hyungki Kim , Duhwan Mun

We present work flows and a software module for machine learning model building in surface science and heterogeneous catalysis. This includes fingerprinting atomic structures from 3D structure and/or connectivity information, it includes…

A small percentage of dopant atoms can completely change the physical properties of the host material. For example, chemical doping controls the electronic transport behavior of semiconductors and gives rise to a wide range of emergent…

Atomic electron tomography (AET) enables the determination of 3D atomic structures by acquiring a sequence of 2D tomographic projection measurements of a particle and then computationally solving for its underlying 3D representation.…

Image and Video Processing · Electrical Eng. & Systems 2025-12-18 Nalini M. Singh , Tiffany Chien , Arthur R. C. McCray , Colin Ophus , Laura Waller

The past decade's "cryoEM revolution" has produced exponential growth in high-resolution structural data through advances in cryogenic electron microscopy (cryoEM) and tomography (cryoET). Deep learning integration into structural…

Quantitative Methods · Quantitative Biology 2025-07-29 Brady K. Zhou , Jason J. Hu , Jane K. J. Lee , Z. Hong Zhou , Demetri Terzopoulos

Atomic force microscopy (AFM) with molecule-functionalized tips has emerged as the primary experimental technique for probing the atomic structure of organic molecules on surfaces. Most experiments have been limited to nearly planar…

Motivation: Cellular Electron CryoTomography (CECT) enables 3D visualization of cellular organization at near-native state and in sub-molecular resolution, making it a powerful tool for analyzing structures of macromolecular complexes and…

Quantitative Methods · Quantitative Biology 2017-04-14 Min Xu , Xiaoqi Chai , Hariank Muthakana , Xiaodan Liang , Ge Yang , Tzviya Zeev-Ben-Mordehai , Eric Xing

A deep neural network (DNN) model consisting of two hidden layers was proposed for predicting the immediate environments of specific atoms based on X-ray absorption near-edge spectra (XANES). The output layer of the DNN can be adjusted to…

Computational Physics · Physics 2019-05-13 Liang Li , Mindren Lu , Maria K. Y. Chan

We apply a number of atomic decomposition schemes across the standard QM7 dataset -- a small model set of organic molecules at equilibrium geometry -- to inspect the possible emergence of trends among contributions to atomization energies…

Chemical Physics · Physics 2023-04-19 Frederik Ø. Kjeldal , Janus J. Eriksen

We introduce a machine learning method in which energy solutions from the Schrodinger equation are predicted using symmetry adapted atomic orbitals features and a graph neural-network architecture. \textsc{OrbNet} is shown to outperform…

Atom probe tomography (APT) is extensively used to measure the local chemistry of materials. Site-specific preparation via a focused ion beam (FIB) is routinely implemented to fabricate needle-shaped specimens with an end radius in the…

Materials Science · Physics 2023-10-16 Aparna Saksena , Binhan Sun , Xizhen Dong , Heena Khanchandani , Dirk Ponge , Baptiste Gault

3D segmentation with deep learning if trained with full resolution is the ideal way of achieving the best accuracy. Unlike in 2D, 3D segmentation generally does not have sparse outliers, prevents leakage to surrounding soft tissues, at the…

Image and Video Processing · Electrical Eng. & Systems 2020-06-11 Orhan Akal , Zhigang Peng , Gerardo Hermosillo Valadez

LiDAR-based place recognition is one of the key components of SLAM and global localization in autonomous vehicles and robotics applications. With the success of DL approaches in learning useful information from 3D LiDARs, place recognition…

Computer Vision and Pattern Recognition · Computer Science 2023-01-05 Tiago Barros , Luís Garrote , Ricardo Pereira , Cristiano Premebida , Urbano J. Nunes

Atom probe tomography (APT) enables near atomic scale three dimensional elemental mapping through the controlled field evaporation of surface atoms triggered by the combined application of a DC voltage and either voltage or laser pulses. As…

Non-destructive testing (NDT) is essential in ceramic manufacturing to ensure the quality of components without compromising their integrity. In this context, Optical Coherence Tomography (OCT) enables high-resolution internal imaging,…

Aberration-corrected scanning electron microscopy (AC-STEM) can provide valuable information on the atomic structure of nanoclusters, an essential input for gaining an understanding of their physical and chemical properties. A systematic…

Materials Science · Physics 2021-05-11 Kusse S. Bersha , Alejandro Peña-Torres , Hannes Jónsson

Search space design is very critical to neural architecture search (NAS) algorithms. We propose a fine-grained search space comprised of atomic blocks, a minimal search unit that is much smaller than the ones used in recent NAS algorithms.…

Computer Vision and Pattern Recognition · Computer Science 2020-02-25 Jieru Mei , Yingwei Li , Xiaochen Lian , Xiaojie Jin , Linjie Yang , Alan Yuille , Jianchao Yang

Chromatic dispersion is a common problem to degrade the system resolution in optical coherence tomography (OCT). This study is to develop a deep learning network for automated dispersion compensation (ADC-Net) in OCT. The ADC-Net is based…

Image segmentation is fundamental to microstructural analysis for defect identification and structure-property correlation, yet remains challenging due to pronounced heterogeneity in materials images arising from varied processing and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Sanjeev S. Navaratna , Nikhil Thawari , Gunashekhar Mari , Amritha V P , Murugaiyan Amirthalingam , Rohit Batra

Carbon fiber and graphene-based nanostructures such as carbon nanotubes (CNTs) and defective structures have extraordinary potential as strong and lightweight materials. A longstanding bottleneck has been lack of understanding and…

Materials Science · Physics 2021-10-26 Qi Zhao , Jordan J. Winetrout , Yanxun Xu , Yusu Wang , Hendrik Heinz