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Iterative methods are commonly used approaches to solve large, sparse linear systems, which are fundamental operations for many modern scientific simulations. When the large-scale iterative methods are running with a large number of ranks…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-05-30 Dingwen Tao , Sheng Di , Xin Liang , Zizhong Chen , Franck Cappello

In this paper, a novel method for automatic planogram compliance checking in retail chains is proposed without requiring product template images for training. Product layout is extracted from an input image by means of unsupervised…

Computer Vision and Pattern Recognition · Computer Science 2016-11-15 Song Liu , Wanqing Li , Stephen Davis , Christian Ritz , Hongda Tian

Precise trajectory tracking for legged robots can be challenging due to their high degrees of freedom, unmodeled nonlinear dynamics, or random disturbances from the environment. A commonly adopted solution to overcome these challenges is to…

Robotics · Computer Science 2025-09-01 Jing Cheng , Yasser G. Alqaham , Amit K. Sanyal , Zhenyu Gan

The term unfoldome has been recently used to indicate the universe of intrinsically disordered proteins. These proteins are characterized by an ensemble of high-flexible interchangeable conformations and therefore they can interact with…

Genomics · Quantitative Biology 2010-12-30 Antonio Deiana , Andrea Giansanti

The primary structures of peptides, originating from food proteins, affect their taste. Connecting primary structure to taste, however, is difficult because the size of the peptide sequence space increases exponentially with increasing…

Chemical Physics · Physics 2022-11-23 Arghya Dutta , Tristan Bereau , Thomas A. Vilgis

Proteins are the main workhorses of biological functions in a cell, a tissue, or an organism. Identification and quantification of proteins in a given sample, e.g. a cell type under normal/disease conditions, are fundamental tasks for the…

Computational Engineering, Finance, and Science · Computer Science 2017-10-10 Ngoc Hieu Tran , Zachariah Levine , Lei Xin , Baozhen Shan , Ming Li

The ability to characterize proteins at sequence-level resolution is vital to biological research. Currently, the leading method for protein sequencing is by liquid chromatography mass spectrometry (LC-MS) whereas proteins are reduced to…

Genomics · Quantitative Biology 2025-07-11 René L. Warren

Retrieving homologous protein sequences is essential for a broad range of protein modeling tasks such as fitness prediction, protein design, structure modeling, and protein-protein interactions. Traditional workflows have relied on a…

Quantitative Methods · Quantitative Biology 2025-06-11 Ruben Weitzman , Peter Mørch Groth , Lood Van Niekerk , Aoi Otani , Yarin Gal , Debora Marks , Pascal Notin

Structure-based protein design has attracted increasing interest, with numerous methods being introduced in recent years. However, a universally accepted method for evaluation has not been established, since the wet-lab validation can be…

Quantitative Methods · Quantitative Biology 2023-12-04 Chuanrui Wang , Bozitao Zhong , Zuobai Zhang , Narendra Chaudhary , Sanchit Misra , Jian Tang

The problem of inferring proteins from complex peptide cocktails (digestion products of biological samples) in shotgun proteomic workflow sets extreme demands on computational resources in respect of the required very high processing…

Computational Engineering, Finance, and Science · Computer Science 2014-12-30 S. M. Vidanagamachchi , S. D. Dewasurendra , R. G. Ragel , M. Niranjan

Machine-learning models that learn from data to predict how protein sequence encodes function are emerging as a useful protein engineering tool. However, when using these models to suggest new protein designs, one must deal with the vast…

Quantitative Methods · Quantitative Biology 2021-07-07 Brian L. Hie , Kevin K. Yang

Peptide compounds demonstrate considerable potential as therapeutic agents due to their high target affinity and low toxicity, yet their drug development is constrained by their low membrane permeability. Molecular weight and peptide length…

Machine Learning · Computer Science 2025-05-26 Shuang Wu , Meijie Wang , Lun Yu

Intracellular compartmentalization of proteins underpins their function and the metabolic processes they sustain. Various mass spectrometry-based proteomics methods (subcellular spatial proteomics) now allow high throughput subcellular…

Quantitative Methods · Quantitative Biology 2025-12-10 Ziyue Zheng , Loay J. Jabre , Matthew McIlvin , Mak A. Saito , Sangwon Hyun

Smart retail stores are becoming the fact of our lives. Several computer vision and sensor based systems are working together to achieve such a complex and automated operation. Besides, the retail sector already has several open and…

Computer Vision and Pattern Recognition · Computer Science 2022-12-05 M. Erkin Yücel , Cem Ünsalan

The protein folding problem has attracted an increasing attention from physicists. The problem has a flavor of statistical mechanics, but possesses the most common feature of most biological problems -- the profound effects of evolution. I…

Statistical Mechanics · Physics 2009-10-31 Chao Tang

Protein-protein interaction (PPI) networks, providing a comprehensive landscape of protein interacting patterns, enable us to explore biological processes and cellular components at multiple resolutions. For a biological process, a number…

Molecular Networks · Quantitative Biology 2016-04-13 Xiuli Ma , Guangyu Zhou , Jingjing Wang , Jian Peng , Jiawei Han

Proteins tend to bury hydrophobic residues inside their core during the folding process to provide stability to the protein structure and to prevent aggregation. Nevertheless, proteins do expose some 'sticky' hydrophobic residues to the…

Biomolecules · Quantitative Biology 2021-07-27 Juami Hermine Mariama van Gils , Dea Gogishvili , Jan van Eck , Robbin Bouwmeester , Erik van Dijk , Sanne Abeln

A framework is presented for understanding the common character of proteins. Proteins are linear chain molecules. However, the simple model of a polymer viewed as spheres tethered together does not account for many of the observed…

Statistical Mechanics · Physics 2009-11-10 Jayanth R. Banavar , Amos Maritan

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Proteins inherently possess a consistent sequence-structure duality. The abundance of protein sequence data, which can be readily represented as discrete tokens, has driven fruitful developments in protein language models (pLMs). A key…

Computational Engineering, Finance, and Science · Computer Science 2026-05-29 Yi Zhou , Haohao Qu , Yunqing Liu , Shanru Lin , Le Song , Wenqi Fan