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Crystalline materials used in technological applications are often complex assemblies composed of multiple phases and differently oriented grains. Robust identification of the phases and orientation relationships from these samples is…

Incorporation of physical principles in a network-based machine learning (ML) architecture is a fundamental step toward the continued development of artificial intelligence for materials science and condensed matter physics. In this work,…

We propose a simple linear scaling expression in reciprocal space for evaluating the ion--electron potential of crystalline solids. The expression replaces the long-range ion--electron potential with an equivalent localized charge…

Materials Science · Physics 2016-12-21 Xuecheng Shao , Wenhui Mi , Qiang Xu , Yanchao Wang , Yanming Ma

Object detection is a basic computer vision task to loccalize and categorize objects in a given image. Most state-of-the-art detection methods utilize a fixed number of proposals as an intermediate representation of object candidates, which…

Computer Vision and Pattern Recognition · Computer Science 2022-07-13 Yiming Cui , Linjie Yang , Ding Liu

The completeness of source detection is critical for analyzing the photometric and spatial properties of the population of interest observed by astronomical imaging. We present a software package $\mathtt{ComEst}$, which calculates the…

Instrumentation and Methods for Astrophysics · Physics 2016-05-24 I-Non Chiu , Shantanu Desai , Jiayi Liu

We present a new approach for improving motif scanning accuracy, based on analysis of in-between similarity. Given a set of motifs obtained from a scanning process, we construct an associated weighted graph. We also compute the expected…

Quantitative Methods · Quantitative Biology 2022-03-23 Braslav Rabar , Keti Nižetić , Pavle Goldstein

Determining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure has a high complexity. While recent AI…

Materials Science · Physics 2026-05-26 Kaixiang Su , Osman Goni Ridwan , Hongfei Xue , Qiang Zhu

We report on image processing techniques and experimental procedures to determine the lattice-site positions of single atoms in an optical lattice with high reliability, even for limited acquisition time or optical resolution. Determining…

Automatic feature extraction domain has witnessed the application of many intelligent methodologies over past decade; however detection accuracy of these approaches were limited as object geometry and contextual knowledge were not given…

Computer Vision and Pattern Recognition · Computer Science 2013-03-28 P. V. Arun , S. K. Katiyar

Classifier-free guided diffusion models have recently been shown to be highly effective at high-resolution image generation, and they have been widely used in large-scale diffusion frameworks including DALLE-2, Stable Diffusion and Imagen.…

Computer Vision and Pattern Recognition · Computer Science 2023-04-14 Chenlin Meng , Robin Rombach , Ruiqi Gao , Diederik P. Kingma , Stefano Ermon , Jonathan Ho , Tim Salimans

In the domain of battery research, the processing of high-resolution microscopy images is a challenging task, as it involves dealing with complex images and requires a prior understanding of the components involved. The utilization of deep…

Computer Vision and Pattern Recognition · Computer Science 2025-03-19 Ganesh Raghavendran , Bing Han , Fortune Adekogbe , Shuang Bai , Bingyu Lu , William Wu , Minghao Zhang , Ying Shirley Meng

We report new statistical time-series analysis tools providing significant improvements in the rapid, precision extraction of discrete state dynamics from large databases of experimental observations of molecular machines. By building…

Quantitative Methods · Quantitative Biology 2019-10-23 Max A. Little , Bradley C. Steel , Fan Bai , Yoshiyuki Sowa , Thomas Bilyard , David M. Mueller , Richard M. Berry , Nick S. Jones

Studying the topology of so-called real networks, that is networks obtained from sociological or biological data for instance, has become a major field of interest in the last decade. One way to deal with it is to consider that networks are…

Applications · Statistics 2010-07-27 Etienne Birmele

Describing the deviation of a real structure from a hypothetical higher-symmetry ideal can be a powerful tool to understand and interpret phase transitions. Here we introduce a simple yet effective metric that quantifies the degree of unit…

Materials Science · Physics 2025-08-05 Shannon Bernier , Gregory Bassen , Matthew Brem , Davor Tolj , Quentin Simmons , Tyrel M. McQueen

Aims. In astronomy, machine learning has been successful in various tasks such as source localisation, classification, anomaly detection, and segmentation. However, feature regression remains an area with room for improvement. We aim to…

Instrumentation and Methods for Astrophysics · Physics 2023-12-20 F. Stoppa , R. Ruiz de Austri , P. Vreeswijk , S. Bhattacharyya , S. Caron , S. Bloemen , G. Zaharijas , G. Principe , V. Vodeb , P. J. Groot , E. Cator , G. Nelemans

One of the most powerful techniques to study protein structures is to look for recurrent fragments (also called substructures or spatial motifs), then use them as patterns to characterize the proteins under study. An emergent trend consists…

Computational Engineering, Finance, and Science · Computer Science 2018-03-02 Wajdi Dhifli , Rabie Saidi , Engelbert Mephu Nguifo

Motivation: Genome and Proteome Alignments, represented by the Multiple Alignment File (MAF) format, have become a standard approach in the field of comparative genomics and proteomics. However, current approaches lack a direct method for…

We present a new method for image feature-extraction which is based on representing an image by a finite-dimensional vector of distances that measure how different the image is from a set of image prototypes. We use the recently introduced…

Machine Learning · Computer Science 2013-05-21 Uzi Chester , Joel Ratsaby

Recent advances have been made in applying convolutional neural networks to achieve more precise prediction results for medical image segmentation problems. However, the success of existing methods has highly relied on huge computational…

Image and Video Processing · Electrical Eng. & Systems 2021-08-24 Dian Qin , Jiajun Bu , Zhe Liu , Xin Shen , Sheng Zhou , Jingjun Gu , Zhijua Wang , Lei Wu , Huifen Dai

In the effort to aid cytologic diagnostics by establishing automatic single cell screening using high throughput digital holographic microscopy for clinical studies thousands of images and millions of cells are captured. The bottleneck lies…

Image and Video Processing · Electrical Eng. & Systems 2024-10-28 Julia Sistermanns , Ellen Emken , Gregor Weirich , Oliver Hayden , Wolfgang Utschick