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From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

We establish a series of deep convolutional neural networks to automatically analyze position averaged convergent beam electron diffraction patterns. The networks first calibrate the zero-order disk size, center position, and rotation…

Data Analysis, Statistics and Probability · Physics 2018-06-05 Weizong Xu , James M. LeBeau

The detection and classification of microplastics in water remain a significant challenge due to their diverse properties and the limitations of traditional optical methods. Standard spectroscopic techniques often suffer from the strong…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Leonard Saur , Marc von Pawlowski , Ulrich Gengenbach , Ingo Sieber , Hossein Shirali , Lorenz Wührl , Xiangyu Weng , Rainer Kiko , Christian Pylatiuk

We propose a new algorithm to learn a dictionary for reconstructing and sparsely encoding signals from measurements without phase. Specifically, we consider the task of estimating a two-dimensional image from squared-magnitude measurements…

Optimization and Control · Mathematics 2016-11-23 Andreas M. Tillmann , Yonina C. Eldar , Julien Mairal

Realization of deep learning with coherent diffraction has achieved remarkable development nowadays, which benefits on the fact that matrix multiplication can be optically executed in parallel as well as with little power consumption.…

Neural and Evolutionary Computing · Computer Science 2020-09-21 Yong-Liang Xiao

This paper proposes a novel algorithm for image phase retrieval, i.e., for recovering complex-valued images from the amplitudes of noisy linear combinations (often the Fourier transform) of the sought complex images. The algorithm is…

Signal Processing · Electrical Eng. & Systems 2018-10-19 Joshin P. Krishnan , José M. Bioucas-Dias , Vladimir Katkovnik

Learning fine-grained image similarity is a challenging task. It needs to capture between-class and within-class image differences. This paper proposes a deep ranking model that employs deep learning techniques to learn similarity metric…

Computer Vision and Pattern Recognition · Computer Science 2014-04-21 Jiang Wang , Yang song , Thomas Leung , Chuck Rosenberg , Jinbin Wang , James Philbin , Bo Chen , Ying Wu

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

The in situ synchrotron high-energy X-ray powder diffraction (XRD) technique is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices (e.g., battery materials) or in complex sample…

Image and Video Processing · Electrical Eng. & Systems 2022-12-16 Howard Yanxon , James Weng , Hannah Parraga , Wenqian Xu , Uta Ruett , Nicholas Schwarz

Materials property predictions have improved from advances in machine learning algorithms, delivering materials discoveries and novel insights through data-driven models of structure-property relationships. Nearly all available models rely…

Materials Science · Physics 2022-04-13 Yiqun Wang , Xiao-Jie Zhang , Fei Xia , Elsa A. Olivetti , Ram Seshadri , James M. Rondinelli

The detection and classification of exfoliated two-dimensional (2D) material flakes from optical microscope images can be automated using computer vision algorithms. This has the potential to increase the accuracy and objectivity of…

Computer Vision and Pattern Recognition · Computer Science 2026-02-06 Jan-Lucas Uslu , Alexey Nekrasov , Alexander Hermans , Bernd Beschoten , Bastian Leibe , Lutz Waldecker , Christoph Stampfer

Accurate crystal structure determination is critical across all scientific disciplines involving crystalline materials. However, solving and refining inorganic crystal structures from powder X-ray diffraction (PXRD) data is traditionally a…

Materials Science · Physics 2024-09-10 Qi Li , Rui Jiao , Liming Wu , Tiannian Zhu , Wenbing Huang , Shifeng Jin , Yang Liu , Hongming Weng , Xiaolong Chen

By circumventing the resolution limitations of optics, coherent diffractive imaging (CDI) and ptychography are making their way into scientific fields ranging from X-ray imaging to astronomy. Yet, the need for time consuming iterative phase…

Computational Physics · Physics 2023-10-13 Oliver Hoidn , Aashwin Ananda Mishra , Apurva Mehta

We introduce a machine learning prediction workflow to study the impact of defects on the Raman response of 2D materials. By combining the use of machine-learned interatomic potentials, the Raman-active $\Gamma$-weighted density of states…

Machine Learning and Deep Learning are computational tools that fall within the domain of artificial intelligence. In recent years, numerous research works have advanced the application of machine and deep learning in various fields,…

We propose a deep learning algorithm for the inpainting of Bragg Coherent Diffraction Imaging (BCDI) patterns affected by detector gaps. These regions of missing intensity can compromise the accuracy of reconstruction algorithms, inducing…

Machine learning methods have found many applications in Raman spectroscopy, especially for the identification of chemical species. However, almost all of these methods require non-trivial preprocessing such as baseline correction and/or…

Machine Learning · Computer Science 2018-02-07 Jinchao Liu , Margarita Osadchy , Lorna Ashton , Michael Foster , Christopher J. Solomon , Stuart J. Gibson

The diffusion of large databases collecting different kind of material properties from high-throughput density functional theory calculations has opened new paths in the study of materials science thanks to data mining and machine learning…

Materials Science · Physics 2018-01-04 Guido Petretto , Xavier Gonze , Geoffroy Hautier , Gian-Marco Rignanese

Atomic structure analysis of crystalline materials is a paramount endeavor in both chemical and material sciences. This sophisticated technique necessitates not only a solid foundation in crystallography but also a profound comprehension of…

Machine Learning · Computer Science 2026-04-27 Kaipeng Zheng , Weiran Huang , Wanli Ouyang , Han-Sen Zhong , Yuqiang Li

To accelerate materials discovery using self-driving labs (SDLs), we present a machine learning pipeline that predicts the electrical conductivity of doped conjugated polymers using rapid, non-destructive optical spectroscopy. Our approach…