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Autoencoders are techniques for data representation learning based on artificial neural networks. Differently to other feature learning methods which may be focused on finding specific transformations of the feature space, they can be…

Machine Learning · Computer Science 2020-05-12 David Charte , Francisco Charte , María J. del Jesus , Francisco Herrera

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

Soft Condensed Matter · Physics 2019-01-07 Marco Giulini , Raffaello Potestio

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

With the development of computational power and techniques for data collection, deep learning demonstrates a superior performance over most existing algorithms on visual benchmark data sets. Many efforts have been devoted to studying the…

Computer Vision and Pattern Recognition · Computer Science 2021-08-25 Yuanhong Xu , Qi Qian , Hao Li , Rong Jin , Juhua Hu

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

Biomolecules · Quantitative Biology 2025-01-06 Weihang Dai

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Inferring biological relationships from cellular phenotypes in high-content microscopy screens provides significant opportunity and challenge in biological research. Prior results have shown that deep vision models can capture biological…

Deep networks can be trained to map images into a low-dimensional latent space. In many cases, different images in a collection are articulated versions of one another; for example, same object with different lighting, background, or pose.…

Computer Vision and Pattern Recognition · Computer Science 2023-03-14 Rakib Hyder , M. Salman Asif

Social network analysis is an important problem in data mining. A fundamental step for analyzing social networks is to encode network data into low-dimensional representations, i.e., network embeddings, so that the network topology…

Social and Information Networks · Computer Science 2019-04-19 Qiaoyu Tan , Ninghao Liu , Xia Hu

We implement stacked denoising autoencoders, a class of neural networks that are capable of learning powerful representations of high dimensional data. We describe stochastic gradient descent for unsupervised training of autoencoders, as…

Machine Learning · Computer Science 2021-02-17 Jason Liang , Keith Kelly

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure…

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind…

Machine Learning · Computer Science 2014-04-24 Yoshua Bengio , Aaron Courville , Pascal Vincent

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

Determining the different conformational states of a protein and the transition paths between them is key to fully understanding the relationship between biomolecular structure and function. This can be accomplished by sampling protein…

Biological Physics · Physics 2021-03-24 Venkata K. Ramaswamy , Chris G. Willcocks , Matteo T. Degiacomi

Object segmentation and structure localization are important steps in automated image analysis pipelines for microscopy images. We present a convolution neural network (CNN) based deep learning architecture for segmentation of objects in…

Computer Vision and Pattern Recognition · Computer Science 2019-01-24 Shan E Ahmed Raza , Linda Cheung , Muhammad Shaban , Simon Graham , David Epstein , Stella Pelengaris , Michael Khan , Nasir M. Rajpoot

Representation learning, and interpreting learned representations, are key areas of focus in machine learning and neuroscience. Both fields generally use representations as a means to understand or improve a system's computations. In this…

Machine Learning · Computer Science 2024-09-24 Andrew Kyle Lampinen , Stephanie C. Y. Chan , Katherine Hermann

One-class classification refers to approaches of learning using data from a single class only. In this paper, we propose a deep learning one-class classification method suitable for multimodal data, which relies on two convolutional…

Machine Learning · Computer Science 2023-09-26 Firas Laakom , Fahad Sohrab , Jenni Raitoharju , Alexandros Iosifidis , Moncef Gabbouj

Biological imaging data are often partially confounded or contain unwanted variability. Examples of such phenomena include variable lighting across microscopy image captures, stain intensity variation in histological slides, and batch…

Computer Vision and Pattern Recognition · Computer Science 2018-11-28 Craig A. Glastonbury , Michael Ferlaino , Christoffer Nellåker , Cecilia M. Lindgren

Deep learning Networks play a crucial role in the evolution of a vast number of current machine learning models for solving a variety of real world non-trivial tasks. Such networks use big data which is generally unlabeled unsupervised and…

Neural and Evolutionary Computing · Computer Science 2015-06-26 N. E. Osegi , P. Enyindah

Proteins are miniature machines whose function depends on their three-dimensional (3D) structure. Determining this structure computationally remains an unsolved grand challenge. A major bottleneck involves selecting the most accurate…

Quantitative Methods · Quantitative Biology 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror