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Does a machine learning model actually gain an understanding of the material space? We answer this question in the affirmative on the example of the OptiMate model, a graph attention network trained to predict the optical properties of…

Materials Science · Physics 2026-01-19 Malte Grunert , Max Großmann , Erich Runge

Structural defects control the kinetic, thermodynamic and mechanical properties of glasses. For instance, rare quantum tunneling two-level systems (TLS) govern the physics of glasses at very low temperature. Because of their extremely low…

Disordered Systems and Neural Networks · Physics 2023-07-19 Simone Ciarella , Dmytro Khomenko , Ludovic Berthier , Felix C. Mocanu , David R. Reichman , Camille Scalliet , Francesco Zamponi

Dense reconstructions often contain errors that prior work has so far minimised using high quality sensors and regularising the output. Nevertheless, errors still persist. This paper proposes a machine learning technique to identify errors…

Computer Vision and Pattern Recognition · Computer Science 2018-01-31 Michael Tanner , Stefan Saftescu , Alex Bewley , Paul Newman

Lensless cameras are characterized by several advantages (e.g., miniaturization, ease of manufacture, and low cost) as compared with conventional cameras. However, they have not been extensively employed due to their poor image clarity and…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Yinger Zhang , Zhouyi Wu , Peiying Lin , Yuting Wu , Lusong Wei , Zhengjie Huang , Jiangtao Huangfu

The goal of our research is to develop methods advancing automatic visual recognition. In order to predict the unique or multiple labels associated to an image, we study different kind of Deep Neural Networks architectures and methods for…

Computer Vision and Pattern Recognition · Computer Science 2016-10-19 Rémi Cadène , Nicolas Thome , Matthieu Cord

We develop and test new machine learning strategies for accelerating molecular crystal structure ranking and crystal property prediction using tools from geometric deep learning on molecular graphs. Leveraging developments in graph-based…

Materials Science · Physics 2024-07-29 Michael Kilgour , Jutta Rogal , Mark Tuckerman

In material science, image segmentation is of great significance for quantitative analysis of microstructures. Here, we propose a novel Weighted Propagation Convolution Neural Network based on U-Net (WPU-Net) to detect boundary in…

Computer Vision and Pattern Recognition · Computer Science 2025-07-11 Wei Liu , Jiahao Chen , Chuni Liu , Xiaojuan Ban , Boyuan Ma , Hao Wang , Weihua Xue , Yu Guo

Convolutional Neural Networks (CNNs) have advanced significantly in visual representation learning and recognition. However, they face notable challenges in performance and computational efficiency when dealing with real-world, multi-scale…

Computer Vision and Pattern Recognition · Computer Science 2024-03-28 Wenzhuo Liu , Fei Zhu , Cheng-Lin Liu

Transfer learning increasingly becomes an important tool in handling data scarcity often encountered in machine learning. In the application of high-throughput thickness as a downstream process of the high-throughput optimization of…

Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to characterize local environments in different polymorphs of…

Materials Science · Physics 2024-04-02 Daisuke Kuroshima , Michael Kilgour , Mark E. Tuckerman , Jutta Rogal

While computer vision has received increasing attention in computer science over the last decade, there are few efforts in applying this to leverage engineering design research. Existing datasets and technologies allow researchers to…

Computer Vision and Pattern Recognition · Computer Science 2019-05-16 Jorgen F. Erichsen , Sampsa Kohtala , Martin Steinert , Torgeir Welo

X-ray absorption spectroscopy is a premier element-specific technique for materials characterization. Specifically, the x-ray absorption near-edge structure (XANES) encodes important information about the local chemical environment of an…

Materials Science · Physics 2019-03-27 Matthew R. Carbone , Shinjae Yoo , Mehmet Topsakal , Deyu Lu

Bidimensional materials are ideally viewed as having no thickness, as their name suggests. Their optical response have been previously modelled by a purely bidimensional surface current or by a very thin film with some contradictory…

Optics · Physics 2023-01-31 Bruno Majérus , Luc Henrard , Pascal Kockaert

Effective properties of materials with random heterogeneous structures are typically determined by homogenising the mechanical quantity of interest in a window of observation. The entire problem setting encompasses the solution of a local…

Numerical Analysis · Mathematics 2021-10-22 Felipe Rocha , Simone Deparis , Pablo Antolin , Annalisa Buffa

The discovery of two-dimensional (2D) materials with tailored properties is critical to meet the increasing demands of high-performance applications across flexible electronics, optoelectronics, catalysis, and energy storage. However,…

Materials Science · Physics 2025-07-02 Zhongwei Liu , Zhimin Zhang , Xuwei Liu , Mingjia Yao , Xin He , Yuanhui Sun , Xin Chen , Lijun Zhang

Despite 2D materials holding great promise for a broad range of applications, the proliferation of devices and their fulfillment of real-life demands are still far from being realized. Experimentally obtainable samples commonly experience a…

Mesoscale and Nanoscale Physics · Physics 2021-01-07 Pavel V. Kolesnichenko , Qianhui Zhang , Changxi Zheng , Michael S. Fuhrer , Jeffrey A. Davis

Strong gravitational lensing is a promising probe of the substructure of dark matter halos. Deep learning methods have the potential to accurately identify images containing substructure, and differentiate WIMP dark matter from other well…

Cosmology and Nongalactic Astrophysics · Physics 2020-04-09 Stephon Alexander , Sergei Gleyzer , Evan McDonough , Michael W. Toomey , Emanuele Usai

LIDAR semantic segmentation, which assigns a semantic label to each 3D point measured by the LIDAR, is becoming an essential task for many robotic applications such as autonomous driving. Fast and efficient semantic segmentation methods are…

Computer Vision and Pattern Recognition · Computer Science 2021-04-28 Iñigo Alonso , Luis Riazuelo , Luis Montesano , Ana C. Murillo

This paper describes an optimized single-stage deep convolutional neural network to detect objects in urban environments, using nothing more than point cloud data. This feature enables our method to work regardless the time of the day and…

Computer Vision and Pattern Recognition · Computer Science 2018-05-21 Kazuki Minemura , Hengfui Liau , Abraham Monrroy , Shinpei Kato

Fully supervised change detection methods require difficult to procure pixel-level labels, while weakly supervised approaches can be trained with image-level labels. However, most of these approaches require a combination of changed and…

Computer Vision and Pattern Recognition · Computer Science 2020-11-10 Philipp Andermatt , Radu Timofte
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