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Finding quantitative descriptors representing the microstructural features of a given material is an ongoing research area in the paradigm of Materials-by-Design. Historically, microstructural analysis mostly relies on qualitative…

Materials Science · Physics 2022-08-09 Khaled Alrfou , Amir Kordijazi , Tian Zhao

Even though convolutional neural networks (CNN) has achieved near-human performance in various computer vision tasks, its ability to tolerate scale variations is limited. The popular practise is making the model bigger first, and then train…

Computer Vision and Pattern Recognition · Computer Science 2014-11-25 Yichong Xu , Tianjun Xiao , Jiaxing Zhang , Kuiyuan Yang , Zheng Zhang

Deep learning algorithms offer a powerful means to automatically analyze the content of medical images. However, many biological samples of interest are primarily transparent to visible light and contain features that are difficult to…

Computer Vision and Pattern Recognition · Computer Science 2017-09-22 Roarke Horstmeyer , Richard Y. Chen , Barbara Kappes , Benjamin Judkewitz

Convolutional neural networks (CNN) are widely used in computer vision, especially in image classification. However, the way in which information and invariance properties are encoded through in deep CNN architectures is still an open…

Computer Vision and Pattern Recognition · Computer Science 2016-10-26 Michael Blot , Matthieu Cord , Nicolas Thome

Single particle, cryogenic electron microscopy (cryo-EM) experiments now routinely produce high-resolution data for large proteins and their complexes. Building an atomic model into a cryo-EM density map is challenging, particularly when no…

Biomolecules · Quantitative Biology 2020-09-04 Po-Nan Li , Saulo H. P. de Oliveira , Soichi Wakatsuki , Henry van den Bedem

We propose a novel approach to image classification inspired by complex nonlinear biological visual processing, whereby classical convolutional neural networks (CNNs) are equipped with learnable higher-order convolutions. Our model…

Computer Vision and Pattern Recognition · Computer Science 2025-12-03 Simone Azeglio , Olivier Marre , Peter Neri , Ulisse Ferrari

Convolutional neural networks (CNNs) are able to attain better visual recognition performance than fully connected neural networks despite having much fewer parameters due to their parameter sharing principle. Modern architectures usually…

Computer Vision and Pattern Recognition · Computer Science 2022-10-20 Ilke Cugu , Emre Akbas

Deep learning became the method of choice in recent year for solving a wide variety of predictive analytics tasks. For sequence prediction, recurrent neural networks (RNN) are often the go-to architecture for exploiting sequential…

Machine Learning · Computer Science 2016-11-09 Kin Gwn Lore , Daniel Stoecklein , Michael Davies , Baskar Ganapathysubramanian , Soumik Sarkar

In this paper, we evaluate convolutional neural network (CNN) features using the AlexNet architecture and very deep convolutional network (VGGNet) architecture. To date, most CNN researchers have employed the last layers before output,…

Computer Vision and Pattern Recognition · Computer Science 2015-09-28 Hirokatsu Kataoka , Kenji Iwata , Yutaka Satoh

Understanding protein-metal interactions is central to structural biology, with metal ions being vital for catalysis, stability, and signal transduction. Predicting metal-binding residues and metal types remains challenging due to the…

Machine Learning · Computer Science 2026-02-23 Sayedmohammadreza Rastegari , Sina Tabakhi , Xianyuan Liu , Tianyi Jiang , Wei Sang , Haiping Lu

Deep convolutional neural networks (DCNNs) have become the state-of-the-art computational models of biological object recognition. Their remarkable success has helped vision science break new ground and recent efforts have started to…

Computer Vision and Pattern Recognition · Computer Science 2023-08-22 Leonard E. van Dyck , Walter R. Gruber

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

This paper presents a new state-of-the-art for document image classification and retrieval, using features learned by deep convolutional neural networks (CNNs). In object and scene analysis, deep neural nets are capable of learning a…

Computer Vision and Pattern Recognition · Computer Science 2015-02-26 Adam W. Harley , Alex Ufkes , Konstantinos G. Derpanis

Computational protein design has a wide variety of applications. Despite its remarkable success, designing a protein for a given structure and function is still a challenging task. On the other hand, the number of solved protein structures…

Quantitative Methods · Quantitative Biology 2018-04-26 Jingxue Wang , Huali Cao , John Z. H. Zhang , Yifei Qi

Predicting smartphone users activity using WiFi fingerprints has been a popular approach for indoor positioning in recent years. However, such a high dimensional time-series prediction problem can be very tricky to solve. To address this…

Machine Learning · Computer Science 2019-11-22 Weizhu Qian , Fabrice Lauri , Franck Gechter

This research addresses the challenge of characterizing the complexity and unpredictability of basins within various dynamical systems. The main focus is on demonstrating the efficiency of convolutional neural networks (CNNs) in this field.…

Machine Learning · Computer Science 2024-06-18 David Valle , Alexandre Wagemakers , Miguel A. F. Sanjuán

Geometric Graph Neural Networks (GNNs) and Transformers have become state-of-the-art for learning from 3D protein structures. However, their reliance on message passing prevents them from capturing the hierarchical interactions that govern…

Machine Learning · Computer Science 2025-12-09 Chang Liu , Vivian Li , Linus Leong , Vladimir Radenkovic , Pietro Liò , Chaitanya K. Joshi

An important goal in visual recognition is to devise image representations that are invariant to particular transformations. In this paper, we address this goal with a new type of convolutional neural network (CNN) whose invariance is…

Computer Vision and Pattern Recognition · Computer Science 2015-01-08 Julien Mairal , Piotr Koniusz , Zaid Harchaoui , Cordelia Schmid

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

The interaction between proteins and nucleic acids is crucial for processes that sustain cellular function, including DNA maintenance and the regulation of gene expression and translation. Amino acid mutations in protein-nucleic acid…

Biomolecules · Quantitative Biology 2025-12-01 Somnath Mondal , Tinkal Mondal , Soumajit Pramanik , Rukmankesh Mehra