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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

In this paper, we present a novel algorithm to address the Network Alignment problem. It is inspired from a previous message passing framework of Bayati et al. [2] and includes several modifications designed to significantly speed up the…

Machine Learning · Computer Science 2022-01-03 Elie Mengin , Fabrice Rossi

This report presents the implementation of a protein sequence comparison algorithm specifically designed for speeding up time consuming part on parallel hardware such as SSE instructions, multicore architectures or graphic boards. Three…

Quantitative Methods · Quantitative Biology 2008-12-18 Van Hoa Nguyen , Dominique Lavenier

Protein sequence classification involves feature selection for accurate classification. Popular protein sequence classification techniques involve extraction of specific features from the sequences. Researchers apply some well-known…

Computational Engineering, Finance, and Science · Computer Science 2012-11-21 Suprativ Saha , Rituparna Chaki

Sequence comparison and alignment has had an enormous impact on our understanding of evolution, biology, and disease. Comparison and alignment of biological networks will likely have a similar impact. Existing network alignments use…

Molecular Networks · Quantitative Biology 2009-10-08 Oleksii Kuchaiev , Tijana Milenkovic , Vesna Memisevic , Wayne Hayes , Natasa Przulj

Prediction of protein-ligand complexes for flexible proteins remains still a challenging problem in computational structural biology and drug design. Here we present two novel deep neural network approaches with significant improvement in…

Biomolecules · Quantitative Biology 2020-08-28 Amr H. Mahmoud , Jonas F. Lill , Markus A. Lill

The detection of similarities between long DNA and protein sequences is studied using concepts of statistical physics. It is shown that mutual similarities can be detected by sequence alignment methods only if their amount exceeds a…

Condensed Matter · Physics 2009-10-28 Terence Hwa , Michael Lassig

Inspired by the recent advances in deep learning (DL), this work presents a deep neural network aided decoding algorithm for binary linear codes. Based on the concept of deep unfolding, we design a decoding network by unfolding the…

Information Theory · Computer Science 2020-02-19 Yi Wei , Ming-Min Zhao , Min-Jian Zhao , Ming Lei

Mutual correlation between segments of DNA or protein sequences can be detected by Smith-Waterman local alignments. We present a statistical analysis of alignment of such sequences, based on a recent scaling theory. A new fidelity measure…

Condensed Matter · Physics 2007-05-23 Rolf Olsen , Terence Hwa , Michael Lassig

Misalignment between model predictions and intended usage can be detrimental for the deployment of computer vision models. The issue is exacerbated when the task involves complex structured outputs, as it becomes harder to design procedures…

Computer Vision and Pattern Recognition · Computer Science 2023-02-17 André Susano Pinto , Alexander Kolesnikov , Yuge Shi , Lucas Beyer , Xiaohua Zhai

This paper presents a novel Differential Evolution algorithm for protein folding optimization that is applied to a three-dimensional AB off-lattice model. The proposed algorithm includes two new mechanisms. A local search is used to improve…

Artificial Intelligence · Computer Science 2018-05-08 Borko Bošković , Janez Brest

Proteins are responsible for the most diverse set of functions in biology. The ability to extract information from protein sequences and to predict the effects of mutations is extremely valuable in many domains of biology and medicine.…

Quantitative Methods · Quantitative Biology 2018-01-04 Sam Sinai , Eric Kelsic , George M. Church , Martin A. Nowak

Pairwise alignment of DNA sequencing data is a ubiquitous task in bioinformatics and typically represents a heavy computational burden. A standard approach to speed up this task is to compute "sketches" of the DNA reads (typically via…

Information Theory · Computer Science 2021-07-12 Ilan Shomorony , Govinda M. Kamath

Darwin is a genomics co-processor that achieved a 15000x acceleration on long read assembly through innovative hardware and algorithm co-design. Darwins algorithms and hardware implementation were specifically designed for DNA analysis…

Quantitative Methods · Quantitative Biology 2019-02-12 Sahand Kashani , Stuart Byma , James R. Larus

Backpropagation has rapidly become the workhorse credit assignment algorithm for modern deep learning methods. Recently, modified forms of predictive coding (PC), an algorithm with origins in computational neuroscience, have been shown to…

Neural and Evolutionary Computing · Computer Science 2023-04-07 Umais Zahid , Qinghai Guo , Zafeirios Fountas

Identifying interacting partners from two sets of protein sequences has important applications in computational biology. Interacting partners share similarities across species due to their common evolutionary history, and feature…

Biomolecules · Quantitative Biology 2024-12-31 Umberto Lupo , Damiano Sgarbossa , Martina Milighetti , Anne-Florence Bitbol

Neural network decoding algorithms are recently introduced by Nachmani et al. to decode high-density parity-check (HDPC) codes. In contrast with iterative decoding algorithms such as sum-product or min-sum algorithms in which the weight of…

Information Theory · Computer Science 2018-09-14 Mohammad-Reza Sadeghi , Farzane Amirzade , Daniel Panario , Amin Sakzad

We introduce a new distributed algorithm for aligning graphs or finding substructures within a given graph. It is based on the cavity method and is used to study the maximum-clique and the graph-alignment problems in random graphs. The…

Quantitative Methods · Quantitative Biology 2010-04-02 S. Bradde , A. Braunstein , H. Mahmoudi , F. Tria , M. Weigt , R. Zecchina

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

A basic assumption of molecular biology is that proteins sharing close three-dimensional (3D) structures are likely to share a common function and in most cases derive from a same ancestor. Computing the similarity between two protein…

Quantitative Methods · Quantitative Biology 2009-02-02 Noël Malod-Dognin , Rumen Andonov , Nicola Yanev