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Single particle imaging (SPI) at X-ray free electron lasers (XFELs) is particularly well suited to determine the 3D structure of particles in their native environment. For a successful reconstruction, diffraction patterns originating from a…

Data Analysis, Statistics and Probability · Physics 2021-12-17 Dameli Assalauova , Alexandr Ignatenko , Fabian Isensee , Sergey Bobkov , Darya Trofimova , Ivan A. Vartanyants

Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

Biomolecules · Quantitative Biology 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

Advanced automated AI techniques allow us to classify protein sequences and discern their biological families and functions. Conventional approaches for classifying these protein families often focus on extracting N-Gram features from the…

Quantitative Methods · Quantitative Biology 2024-10-24 Bahar Ali , Anwar Shah , Malik Niaz , Musadaq Mansoord , Sami Ullah , Muhammad Adnan

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Convolutional Neural Networks (CNNs) do not have a predictable recognition behavior with respect to the input resolution change. This prevents the feasibility of deployment on different input image resolutions for a specific model. To…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 Duo Li , Anbang Yao , Qifeng Chen

Automated recognition and classification of bacteria species from microscopic images have significant importance in clinical microbiology. Bacteria classification is usually carried out manually by biologists using different shapes and…

Quantitative Methods · Quantitative Biology 2019-12-19 Muhammed Talo

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

Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predictions of graph convolutional networks?" A possible approach…

Machine Learning · Computer Science 2018-07-06 Hirotaka Akita , Kosuke Nakago , Tomoki Komatsu , Yohei Sugawara , Shin-ichi Maeda , Yukino Baba , Hisashi Kashima

Breast cancer is a relatively common cancer among gynecological cancers. Its diagnosis often relies on the pathology of cells in the lesion. The pathological diagnosis of breast cancer not only requires professionals and time, but also…

Image and Video Processing · Electrical Eng. & Systems 2024-04-15 MingXuan Xiao , Yufeng Li , Xu Yan , Min Gao , Weimin Wang

Discerning how a mutation affects the stability of a protein is central to the study of a wide range of diseases. Machine learning and statistical analysis techniques can inform how to allocate limited resources to the considerable time and…

Quantitative Methods · Quantitative Biology 2018-03-14 Richard Olney , Aaron Tuor , Filip Jagodzinski , Brian Hutchinson

Artificial intelligence is nowadays used for cell detection and classification in optical microscopy, during post-acquisition analysis. The microscopes are now fully automated and next expected to be smart, to make acquisition decisions…

We investigate multiple techniques to improve upon the current state of the art deep convolutional neural network based image classification pipeline. The techiques include adding more image transformations to training data, adding more…

Computer Vision and Pattern Recognition · Computer Science 2013-12-20 Andrew G. Howard

Understanding the structure of a protein complex is crucial indetermining its function. However, retrieving accurate 3D structures from microscopy images is highly challenging, particularly as many imaging modalities are two-dimensional.…

Quantitative Methods · Quantitative Biology 2021-10-18 Benjamin J. Blundell , Christian Sieben , Suliana Manley , Ed Rosten , QueeLim Ch'ng , Susan Cox

Convolutional networks have been widely applied for computer vision system. Encouraged by these results, a U-Net convolutional network was applied to recognition of vessels and materials in chemistry lab using the recent Vector-LabPics…

Computer Vision and Pattern Recognition · Computer Science 2022-11-11 Zhihao Shang , Di Bo

In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the protein description contained in the Protein Data Bank. Each…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

The classification of MRI images according to the anatomical field of view is a necessary task to solve when faced with the increasing quantity of medical images. In parallel, advances in deep learning makes it a suitable tool for computer…

Machine Learning · Computer Science 2017-01-17 Hadrien Bertrand , Matthieu Perrot , Roberto Ardon , Isabelle Bloch

Cyber security can be enhanced through application of machine learning by recasting network attack data into an image format, then applying supervised computer vision and other machine learning techniques to detect malicious specimens.…

Machine Learning · Computer Science 2021-11-04 Erik Larsen , Korey MacVittie , John Lilly

Deep convolutional networks are widely used in video action recognition. 3D convolutions are one prominent approach to deal with the additional time dimension. While 3D convolutions typically lead to higher accuracies, the inner workings of…

Computer Vision and Pattern Recognition · Computer Science 2020-06-24 Alexandros Stergiou , Georgios Kapidis , Grigorios Kalliatakis , Christos Chrysoulas , Ronald Poppe , Remco Veltkamp

Visual inspection of x-ray scattering images is a powerful technique for probing the physical structure of materials at the molecular scale. In this paper, we explore the use of deep learning to develop methods for automatically analyzing…

Computer Vision and Pattern Recognition · Computer Science 2016-11-11 Boyu Wang , Kevin Yager , Dantong Yu , Minh Hoai

In this paper we borrow concepts from Information Theory and Statistical Mechanics to perform a pattern recognition procedure on a set of x-ray hazelnut images. We identify two relevant statistical scales, whose ratio affects the…

Statistical Mechanics · Physics 2015-06-19 Matteo Colangeli , Francesco Rugiano , Eros Pasero
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