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Pedestrian attribute recognition (PAR) has received increasing attention because of its wide application in video surveillance and pedestrian analysis. Extracting robust feature representation is one of the key challenges in this task. The…

Computer Vision and Pattern Recognition · Computer Science 2023-04-17 Xinwen Fan , Yukang Zhang , Yang Lu , Hanzi Wang

While DeepMind has tentatively solved protein folding, its inverse problem -- protein design which predicts protein sequences from their 3D structures -- still faces significant challenges. Particularly, the lack of large-scale standardized…

Quantitative Methods · Quantitative Biology 2022-02-15 Zhangyang Gao , Cheng Tan , Stan Z. Li

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

Proteins are made of atoms constantly fluctuating, but can occasionally undergo large-scale changes. Such transitions are of biological interest, linking the structure of a protein to its function with a cell. Atomic-level simulations, such…

Computational Physics · Physics 2022-10-26 Amélie Chatelain , Elena Tommasone , Laurent Daudet , Iacopo Poli

This systematic review outlines pivotal advancements in deep learning-driven protein structure prediction and design, focusing on four core models-AlphaFold, RoseTTAFold, RFDiffusion, and ProteinMPNN-developed by 2024 Nobel Laureates in…

Biological Physics · Physics 2025-04-03 Wanqing Yang , Yanwei Wang , Yang Wang

This paper presents a method of reconstruction a primary structure of a protein that folds into a given geometrical shape. This method predicts the primary structure of a protein and restores its linear sequence of amino acids in the…

Quantitative Methods · Quantitative Biology 2017-01-04 Andrii Riazanov , Mikhail Karasikov , Sergei Grudinin

We present an efficient algorithm to recover the three dimensional structure of a protein from its contact map representation. First we show that when a physically realizable map is used as target, our method generates a structure whose…

Soft Condensed Matter · Physics 2008-02-03 Michele Vendruscolo , Edo Kussell , Eytan Domany

Frame prediction based on AutoEncoder plays a significant role in unsupervised video anomaly detection. Ideally, the models trained on the normal data could generate larger prediction errors of anomalies. However, the correlation between…

Computer Vision and Pattern Recognition · Computer Science 2023-03-10 Xiangyu Huang , Caidan Zhao , Jinghui Yu , Chenxing Gao , Zhiqiang Wu

This manuscript introduces SARFormer, a modified Vision Transformer (ViT) architecture designed for processing one or multiple synthetic aperture radar (SAR) images. Given the complex image geometry of SAR data, we propose an acquisition…

Computer Vision and Pattern Recognition · Computer Science 2025-04-14 Jonathan Prexl , Michael Recla , Michael Schmitt

Protein folding is one of the age-old biological problems that refers to the mechanism of understanding and predicting how a protein's linear sequence of amino acids folds into its specific three dimensional structure.This structure is…

The computational prediction and design of peptide binders targeting specific linear epitopes is crucial in biological and biomedical research, yet it remains challenging due to their highly dynamic nature and the scarcity of experimentally…

Biomolecules · Quantitative Biology 2024-10-23 Haowen Zhao , Francesco A. Aprile , Barbara Bravi

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

We propose a novel method for the determination of the effective interaction potential between the amino acids of a protein. The strategy is based on the combination of a new optimization procedure and a geometrical argument, which also…

Soft Condensed Matter · Physics 2009-10-31 Jort van Mourik , Cecilia Clementi , Amos Maritan , Flavio Seno , J. R. Banavar

Transformer architectures have proven to learn useful representations for protein classification and generation tasks. However, these representations present challenges in interpretability. In this work, we demonstrate a set of methods for…

Computation and Language · Computer Science 2021-03-30 Jesse Vig , Ali Madani , Lav R. Varshney , Caiming Xiong , Richard Socher , Nazneen Fatema Rajani

Over the past six years, molecular transformer models have become key tools in drug discovery. Most existing models are pre-trained on large, unlabeled datasets such as ZINC or ChEMBL. However, the extent to which large-scale pre-training…

Machine Learning · Computer Science 2025-05-23 Afnan Sultan , Max Rausch-Dupont , Shahrukh Khan , Olga Kalinina , Dietrich Klakow , Andrea Volkamer

Expert eye movements provide a rich, passive source of domain knowledge in radiology, offering a powerful cue for integrating diagnostic reasoning into computer-aided analysis. However, direct integration into CNN-based systems, which…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Daniel Beckmann , Benjamin Risse

Protein structures and functions are determined by a contiguous arrangement of amino acid sequences. Designing novel protein sequences and structures with desired geometry and functions is a complex task with large state spaces. Here we…

Chemical Physics · Physics 2022-09-01 Xeerak Agha , Nihang Fu , Jianjun Hu

Unsupervised domain adaptation for object detection is a challenging problem with many real-world applications. Unfortunately, it has received much less attention than supervised object detection. Models that try to address this task tend…

Computer Vision and Pattern Recognition · Computer Science 2021-06-11 Hongsong Wang , Shengcai Liao , Ling Shao

We review and further develop an analytical model that describes how thermodynamic constraints on the stability of the native state influence protein evolution in a site-specific manner. To this end, we represent both protein sequences and…

Biomolecules · Quantitative Biology 2007-05-23 Ugo Bastolla , Markus Porto , H. Eduardo Roman , Michele Vendruscolo

We present Advancing Front Mapping (AFM), a provably robust algorithm for the computation of surface mappings to simple base domains. Given an input mesh and a convex or star-shaped target domain, AFM installs a (possibly refined) version…

Computational Geometry · Computer Science 2024-01-08 Marco Livesu
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