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In powder diffraction data analysis, phase identification is the process of determining the crystalline phases in a sample using its characteristic Bragg peaks. For multiphasic spectra, we must also determine the relative weight fraction of…

Machine Learning · Computer Science 2022-10-21 Patrick Hosein , Jaimie Greasley

Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that integrates unsupervised and supervised learning methods to…

Applications · Statistics 2025-09-05 Kungang Zhang , Wei Chen , Wing K. Liu , L. Catherine Brinson , Daniel W. Apley

Crystal Structure Prediction (CSP) remains a fundamental challenge with significant implications for the development of new materials and the advancement of various scientific disciplines. Recent developments have shown that generative…

Computational Engineering, Finance, and Science · Computer Science 2025-09-01 Yang Liu , Chuan Zhou , Shuai Zhang , Peng Zhang , Xixun Lin , Shirui Pan

Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures. Previous networks trained on two million materials…

Aiming at improving performance of visual classification in a cost-effective manner, this paper proposes an incremental semi-supervised learning paradigm called Deep Co-Space (DCS). Unlike many conventional semi-supervised learning methods…

Computer Vision and Pattern Recognition · Computer Science 2017-08-01 Ziliang Chen , Keze Wang , Xiao Wang , Pai Peng , Ebroul Izquierdo , Liang Lin

In this paper, we address the problem of generalized category discovery (GCD), \ie, given a set of images where part of them are labelled and the rest are not, the task is to automatically cluster the images in the unlabelled data,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Bingchen Zhao , Xin Wen , Kai Han

The research of metamaterials has achieved enormous success in the manipulation of light in an artificially prescribed manner using delicately designed sub-wavelength structures, so-called meta-atoms. Even though modern numerical methods…

Optics · Physics 2019-01-31 Wei Ma , Feng Cheng , Yihao Xu , Qinlong Wen , Yongmin Liu

In this paper, we present a semi supervised deep quick learning framework for instance detection and pixel-wise semantic segmentation of images in a dense clutter of items. The framework can quickly and incrementally learn novel items in an…

Computer Vision and Pattern Recognition · Computer Science 2021-01-19 Ashish Kumar , L. Behera

Point cloud instance segmentation has achieved huge progress with the emergence of deep learning. However, these methods are usually data-hungry with expensive and time-consuming dense point cloud annotations. To alleviate the annotation…

Computer Vision and Pattern Recognition · Computer Science 2022-08-18 Yongbin Liao , Hongyuan Zhu , Yanggang Zhang , Chuangguan Ye , Tao Chen , Jiayuan Fan

Spectroscopic data, particularly diffraction data, contain detailed crystal and microstructure information and thus are crucial for materials discovery. Powder X-ray diffraction (XRD) patterns are greatly effective in identifying crystals.…

Materials Science · Physics 2025-02-18 Bin Cao , Yang Liu , Zinan Zheng , Ruifeng Tan , Jia Li , Tong-yi Zhang

Semi-supervised learning is attracting blooming attention, due to its success in combining unlabeled data. To mitigate potentially incorrect pseudo labels, recent frameworks mostly set a fixed confidence threshold to discard uncertain…

Computer Vision and Pattern Recognition · Computer Science 2023-08-15 Lihe Yang , Zhen Zhao , Lei Qi , Yu Qiao , Yinghuan Shi , Hengshuang Zhao

Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a crystal's formation energy, which identifies its stability…

Materials Science · Physics 2026-04-21 V. Torlao , E. A. Fajardo

Semi-supervised learning (SSL) is a promising approach for training deep classification models using labeled and unlabeled datasets. However, existing SSL methods rely on a large unlabeled dataset, which may not always be available in many…

Machine Learning · Computer Science 2023-09-29 Shin'ya Yamaguchi

Hyperspectral image (HSI) classification is gaining a lot of momentum in present time because of high inherent spectral information within the images. However, these images suffer from the problem of curse of dimensionality and usually…

Computer Vision and Pattern Recognition · Computer Science 2023-06-21 Shivam Pande , Nassim Ait Ali Braham , Yi Wang , Conrad M Albrecht , Biplab Banerjee , Xiao Xiang Zhu

Disease diagnosis from medical images via supervised learning is usually dependent on tedious, error-prone, and costly image labeling by medical experts. Alternatively, semi-supervised learning and self-supervised learning offer…

Computer Vision and Pattern Recognition · Computer Science 2023-06-14 Attiano Purpura-Pontoniere , Demetri Terzopoulos , Adam Wang , Abdullah-Al-Zubaer Imran

Accurate determination of crystal structures is central to materials science, underpinning the understanding of composition-structure-property relationships and the discovery of new materials. Powder X-ray diffraction is a key technique in…

Materials Science · Physics 2026-03-20 Chenlei Xu , Tianhao Su , Jie Xiong , Yue Wu , Shuya Dong , Tian Jiang , Mengwei He , Shuai Chen , Tong-Yi Zhang

One of the key challenges of performing label prediction over a data stream concerns with the emergence of instances belonging to unobserved class labels over time. Previously, this problem has been addressed by detecting such instances and…

Machine Learning · Computer Science 2019-01-29 Zhuoyi Wang , Zelun Kong , Hemeng Tao , Swarup Chandra , Latifur Khan

In response to the growing demand for 3D object detection in applications such as autonomous driving, robotics, and augmented reality, this work focuses on the evaluation of semi-supervised learning approaches for point cloud data. The…

Computer Vision and Pattern Recognition · Computer Science 2023-11-23 Maksim Golyadkin , Alexander Gambashidze , Ildar Nurgaliev , Ilya Makarov

Self-supervised learning (SSL) has the potential to benefit many applications, particularly those where manually annotating data is cumbersome. One such situation is the semantic segmentation of point clouds. In this context, existing…

Computer Vision and Pattern Recognition · Computer Science 2023-03-30 Yanhao Wu , Tong Zhang , Wei Ke , Sabine Süsstrunk , Mathieu Salzmann

We report an interpretation method for deep learning models that allows us to handle high-dimensional spectral data in materials science. The proposed method uses feature extraction and clustering analysis to categorize materials into…

Materials Science · Physics 2025-10-21 Akira Takahashi , Yu Kumagai , Arata Takamatsu , Fumiyasu Oba