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Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

Materials Science · Physics 2026-03-17 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Emeric Bourasseau

Machine Learning (ML) serves as a general-purpose, highly adaptable, and versatile framework for investigating complex systems across domains. However, the resulting computational resource demands, in terms of the number of parameters and…

Instrumentation and Methods for Astrophysics · Physics 2025-07-29 Mansur Ziiatdinov , Farida Farsian , Francesco Schilliró , Salvatore Distefano

Purpose: The research is to develop a novel CNN-based adversarial deep learning method to improve and expedite the multi-organ semantic segmentation of CT images, and to generate accurate contours on pelvic CT images. Methods: Planning CT…

Image and Video Processing · Electrical Eng. & Systems 2021-06-09 Zhuangzhuang Zhang , Tianyu Zhao , Hiram Gay , Weixiong Zhang , Baozhou Sun

Machine learning (ML) force fields have emerged as a powerful tool for computing materials properties at finite temperatures, particularly in regimes where traditional phonon-based perturbation theories fail or cannot be extended beyond the…

Materials Science · Physics 2026-01-30 Martin Callsen , Tai-Ting Lee , Mei-Yin Chou

Machine learning methods have nowadays become easy-to-use tools for constructing high-dimensional interatomic potentials with ab initio accuracy. Although machine learned interatomic potentials are generally orders of magnitude faster than…

Computational Physics · Physics 2021-02-24 Yaolong Zhang , Ce Hu , Bin Jiang

In this article, we present a deflection measurement setup for Atomic Force Microscopy (AFM). It is based on a quadrature phase differential interferometer: we measure the optical path difference between a laser beam reflecting above the…

Instrumentation and Detectors · Physics 2015-06-16 Pierdomenico Paolino , Felipe A. Aguilar Sandoval , Ludovic Bellon

We present a machine-learning strategy for finite element analysis of solid mechanics wherein we replace complex portions of a computational domain with a data-driven surrogate. In the proposed strategy, we decompose a computational domain…

Numerical Analysis · Mathematics 2023-10-24 Eric Parish , Payton Lindsay , Timothy Shelton , John Mersch

Medical image segmentation is vital for clinical diagnosis, yet current deep learning methods often demand extensive expert effort, i.e., either through annotating large training datasets or providing prompts at inference time for each new…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Xingjian Li , Qifeng Wu , Adithya S. Ubaradka , Yiran Ding , Colleen Que , Runmin Jiang , Jianhua Xing , Tianyang Wang , Min Xu

Computational virtual high-throughput screening (VHTS) with density functional theory (DFT) and machine-learning (ML)-acceleration is essential in rapid materials discovery. By necessity, efficient DFT-based workflows are carried out with a…

Materials Science · Physics 2021-06-25 Chenru Duan , Shuxin Chen , Michael G. Taylor , Fang Liu , Heather J. Kulik

The Prognostics and Health Management Data Challenge (PHM) 2016 tracks the health state of components of a semiconductor wafer polishing process. The ultimate goal is to develop an ability to predict the measurement on the wafer surface…

Artificial Intelligence · Computer Science 2025-03-04 Kart-Leong Lim , Rahul Dutta

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

In this paper, the problem of Magnetic Resonance (MR) image reconstruction from partial Fourier samples has been considered. To this aim, we leverage the evidence that MR images are sparser than their zero-filled reconstructed ones from…

Information Theory · Computer Science 2015-08-19 Fateme Ghayem , Farokh Marvasti

Modern high-resolution microscopes, such as the scanning tunneling microscope, are commonly used to study specimens that have dense and aperiodic spatial structure. Extracting meaningful information from images obtained from such…

Computational Physics · Physics 2018-08-28 Sky C. Cheung , John Y. Shin , Yenson Lau , Zhengyu Chen , Ju Sun , Yuqian Zhang , John N. Wright , Abhay N. Pasupathy

Accurate localization of proteins from fluorescence microscopy images is challenging due to the inter-class similarities and intra-class disparities introducing grave concerns in addressing multi-class classification problems. Conventional…

Computer Vision and Pattern Recognition · Computer Science 2021-10-11 Muhammad Tahir , Saeed Anwar , Ajmal Mian , Abdul Wahab Muzaffar

This article reviews the progress of atomic force microscopy (AFM) in ultra-high vacuum, starting with its invention and covering most of the recent developments. Today, dynamic force microscopy allows to image surfaces of conductors…

Materials Science · Physics 2009-11-10 Franz J. Giessibl

Chromosome analysis and identification from metaphase images is a critical part of cytogenetics based medical diagnosis. It is mainly used for identifying constitutional, prenatal and acquired abnormalities in the diagnosis of genetic…

Computer Vision and Pattern Recognition · Computer Science 2022-09-13 Amritha S Pallavoor , Prajwal A , Sundareshan TS , Sreekanth K Pallavoor

Current multi-modal image fusion methods typically rely on task-specific models, leading to high training costs and limited scalability. While generative methods provide a unified modeling perspective, they often suffer from slow inference…

Computer Vision and Pattern Recognition · Computer Science 2025-11-19 Huayi Zhu , Xiu Shu , Youqiang Xiong , Qiao Liu , Rui Chen , Di Yuan , Xiaojun Chang , Zhenyu He

Density Functional Theory (DFT) has been a cornerstone in computational science, providing powerful insights into structure-property relationships for molecules and materials through first-principles quantum-mechanical (QM) calculations.…

Chemical Physics · Physics 2024-08-13 Yicheng Chen , Wenjie Yan , Zhanfeng Wang , Jianming Wu , Xin Xu

Faithfully representing chemical environments is essential for describing materials and molecules with machine learning approaches. Here, we present a systematic classification of these representations and then investigate: (i) the…

Materials Science · Physics 2020-10-28 Berk Onat , Christoph Ortner , James R. Kermode

We show that unsupervised machine learning can be used to learn physical and chemical transformation pathways from the observational microscopic data, as demonstrated for atomically resolved images in Scanning Transmission Electron…