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Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

计算工程、金融与科学 · 计算机科学 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

定量方法 · 定量生物学 2022-07-15 Aaron Wang

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…

材料科学 · 物理学 2024-07-29 Michael Kilgour , Jutta Rogal , Mark Tuckerman

In this work, we perform semantic segmentation of multiple defect types in electron microscopy images of irradiated FeCrAl alloys using a deep learning Mask Regional Convolutional Neural Network (Mask R-CNN) model. We conduct an in-depth…

计算机视觉与模式识别 · 计算机科学 2021-10-18 Ryan Jacobs , Mingren Shen , Yuhan Liu , Wei Hao , Xiaoshan Li , Ruoyu He , Jacob RC Greaves , Donglin Wang , Zeming Xie , Zitong Huang , Chao Wang , Kevin G. Field , Dane Morgan

Recent advances in scanning transmission electron and scanning probe microscopies have opened exciting opportunities in probing the materials structural parameters and various functional properties in real space with angstrom-level…

High performance materials, from natural bone over ancient damascene steel to modern superalloys, typically possess a complex structure at the microscale. Their properties exceed those of the individual components and their knowledge-based…

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…

计算机视觉与模式识别 · 计算机科学 2016-10-19 Rémi Cadène , Nicolas Thome , Matthieu Cord

The target of this paper is to recommend a way for Automated classification of Fish species. A high accuracy fish classification is required for greater understanding of fish behavior in Ichthyology and by marine biologists. Maintaining a…

计算机视觉与模式识别 · 计算机科学 2018-05-28 Dhruv Rathi , Sushant Jain , Dr. S. Indu

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

生物大分子 · 定量生物学 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray

Deep learning architectures based on convolutional neural networks tend to rely on continuous, smooth features. While this characteristics provides significant robustness and proves useful in many real-world tasks, it is strikingly…

计算机视觉与模式识别 · 计算机科学 2026-03-10 Zuzanna Buchnajzer , Kacper Dobek , Stanisław Hapke , Daniel Jankowski , Krzysztof Krawiec

Deep learning has been widely used for hyperspectral pixel classification due to its ability of generating deep feature representation. However, how to construct an efficient and powerful network suitable for hyperspectral data is still…

计算机视觉与模式识别 · 计算机科学 2019-04-17 Jingzhou Chen , Siyu Chen , Peilin Zhou , Yuntao Qian

Modern artificial neural networks, including convolutional neural networks and vision transformers, have mastered several computer vision tasks, including object recognition. However, there are many significant differences between the…

计算机视觉与模式识别 · 计算机科学 2023-01-26 Tiago Oliveira , Tiago Marques , Arlindo L. Oliveira

In recent years, there has been a growing interest in accelerated materials innovation in the context of the process-structure-property chain. In this regard, it is essential to take into account manufacturing processes and tailor materials…

材料科学 · 物理学 2024-11-12 Lukas Morand , Tarek Iraki , Johannes Dornheim , Stefan Sandfeld , Norbert Link , Dirk Helm

Tens of thousands of galaxy-galaxy strong lensing systems are expected to be discovered by the end of the decade. These will form a vast new dataset that can be used to probe subgalactic dark matter structures through its gravitational…

宇宙学与河外天体物理 · 物理学 2024-01-31 Arthur Tsang , Atınç Çağan Şengül , Cora Dvorkin

Stochastic microstructure reconstruction involves digital generation of microstructures that match key statistics and characteristics of a (set of) target microstructure(s). This process enables computational analyses on ensembles of…

材料科学 · 物理学 2023-01-02 Anindya Bhaduri , Ashwini Gupta , Audrey Olivier , Lori Graham-Brady

Microstructure is key to controlling and understanding the properties of metallic materials, but traditional approaches to describing microstructure capture only a small number of features. To enable data-centric approaches to materials…

Recent advancements in Artificial intelligence, especially deep learning, has changed many fields irreversibly by introducing state of the art methods for automation. Construction monitoring has not been an exception; as a part of…

Microstructure reconstruction has been an essential part of computational material engineering to reveal the relationship between microstructures and material properties. However, finding a general solution for microstructure…

材料科学 · 物理学 2023-01-24 Kang-Hyun Lee , Gun Jin Yun

Constructing of molecular structural models from Cryo-Electron Microscopy (Cryo-EM) density volumes is the critical last step of structure determination by Cryo-EM technologies. Methods have evolved from manual construction by structural…

机器学习 · 计算机科学 2019-02-13 Kui Xu , Zhe Wang , Jiangping Shi , Hongsheng Li , Qiangfeng Cliff Zhang

Convolutional Neural Network (CNN) has gained state-of-the-art results in many pattern recognition and computer vision tasks. However, most of the CNN structures are manually designed by experienced researchers. Therefore, auto- matically…

神经与进化计算 · 计算机科学 2018-10-26 Guoqiang Zhong , Tao Li , Wenxue Liu , Yang Chen