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Addressing uncertainty in Deep Learning (DL) is essential, as it enables the development of models that can make reliable predictions and informed decisions in complex, real-world environments where data may be incomplete or ambiguous. This…

Computer Vision and Pattern Recognition · Computer Science 2024-05-31 Ayyub Alzahem , Wadii Boulila , Maha Driss , Anis Koubaa

A Python program for calculating the metrics necessary to perform information-theory based symmetry classifications and quantifications of transmission electron diffraction spot patterns is introduced. It is the first of its kind, in that…

Materials Science · Physics 2022-05-10 Lukas von Koch , Peter Moeck

This study investigate the effectiveness of using Deep Learning (DL) for the classification of planetary nebulae (PNe). It focusses on distinguishing PNe from other types of objects, as well as their morphological classification. We adopted…

Instrumentation and Methods for Astrophysics · Physics 2021-02-01 Dayang N. F. Awang Iskandar , Albert A. Zijlstra , Iain McDonald , Rosni Abdullah , Gary A. Fuller , Ahmad H. Fauzi , Johari Abdullah

Crystal structure determination from powder diffraction patterns is a complex challenge in materials science, often requiring extensive expertise and computational resources. This study introduces DiffractGPT, a generative pre-trained…

Materials Science · Physics 2025-08-13 Kamal Choudhary

Deep learning (DL) is one of the fastest growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. DL allows analysis of unstructured data and…

The discovery of new crystalline materials is essential to scientific and technological progress. However, traditional trial-and-error approaches are inefficient due to the vast search space. Recent advancements in machine learning have…

Machine Learning · Computer Science 2025-02-17 Laura Ruple , Luca Torresi , Henrik Schopmans , Pascal Friederich

Deep learning (DL) stereo matching methods gained great attention in remote sensing satellite datasets. However, most of these existing studies conclude assessments based only on a few/single stereo images lacking a systematic evaluation on…

Computer Vision and Pattern Recognition · Computer Science 2022-10-26 Hessah Albanwan , Rongjun Qin

Deep Learning (DL) has shown great promise in the unsupervised task of clustering. That said, while in classical (i.e., non-deep) clustering the benefits of the nonparametric approach are well known, most deep-clustering methods are…

Machine Learning · Computer Science 2022-03-29 Meitar Ronen , Shahaf E. Finder , Oren Freifeld

We are interested to explore the limit in using deep learning (DL) to study the electromagnetic response for complex and random metasurfaces, without any specific applications in mind. For simplicity, we focus on a simple pure reflection…

Signal Processing · Electrical Eng. & Systems 2024-06-19 Tianning Zhang , Chun Yun Kee , Yee Sin Ang , L. K. Ang

Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…

Materials Science · Physics 2024-07-09 Stefano Racioppi , Alberto Otero De la Roza , Samad Hajinazar , Eva Zurek

Data-driven methods have increasingly been applied to the development of optical systems as inexpensive and effective inverse design approaches. Optical properties (e.g., band-gap properties) of photonic crystals (PCs) are closely…

Optics · Physics 2022-02-01 Tao Zhan , Quan-Shan Liu , Lu Qiu , Yuan-Jie Sun , Tao Wen , Rui Zhang

An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…

Condensed Matter · Physics 2007-05-23 Veit Elser

Machine learning has been applied to the problem of X-ray diffraction phase prediction with promising results. In this paper, we describe a method for using machine learning to predict crystal structure phases from X-ray diffraction data of…

Materials Science · Physics 2023-05-26 Maksim Zhdanov , Andrey Zhdanov

We investigate five different models to reconstruct the 3D $\gamma$-ray hit coordinates in five large \lacls monolithic crystals optically coupled to pixelated silicon photomultipliers. These scintillators have a base surface of 50 $\times$…

Symmetry detection has been a classical problem in computer graphics, many of which using traditional geometric methods. In recent years, however, we have witnessed the arising deep learning changed the landscape of computer graphics. In…

Computer Vision and Pattern Recognition · Computer Science 2020-03-17 Zhelun Wu , Hongyan Jiang , Siyun He

Crystal structure prediction (CSP), which aims to predict the three-dimensional atomic arrangement of a crystal from its composition, is central to materials discovery and mechanistic understanding. However, given the composition in a unit…

Materials Science · Physics 2026-03-10 Shi Yin , Jinming Mu , Xudong Zhu , Linxin He

The classifications approaches for the crystallographic symmetries of patterns that are more or less periodic in two dimensions are critically reviewed and their relative performance qualitatively evaluated. The information theory based…

Materials Science · Physics 2021-06-01 Peter Moeck

Transmission electron diffraction is a powerful and versatile structural probe for the characterization of a broad range of materials, from nanocrystalline thin films to single crystals. With recent developments in fast electron detectors…

Materials Science · Physics 2021-10-06 Jian-Min Zuo , Renliang Yuan , Yu-Tsun Shao , Haw-Wen Hsiao , Saran Pidaparthy , Yang Hu , Qun Yang , Jiong Zhang

Automated rock classification from mineral composition presents a significant challenge in geological applications, with critical implications for material recycling, resource management, and industrial processing. While existing methods…

Computational Engineering, Finance, and Science · Computer Science 2025-10-17 Iye Szin Ang , Martin Johannes Findl , Elisabeth Hauzinger , Klaus Philipp Sedlazeck , Jyrki Savolainen , Ronald Bakker , Robert Galler , Elmar Rueckert

Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of crystalline microstructure can accelerate the identification of…

Materials Science · Physics 2026-02-16 Kwanghwi Je , Ellis R. Kennedy , Sungin Kim , Yao Yang , Erik H. Thiede
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