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In this paper, we propose a data-driven method to learn interpretable topological features of biomolecular data and demonstrate the efficacy of parsimonious models trained on topological features in predicting the stability of synthetic…

Machine Learning · Statistics 2024-08-12 Amish Mishra , Francis Motta

Prediction of protein secondary structure from the amino acid sequence is a classical bioinformatics problem. Common methods use feed forward neural networks or SVMs combined with a sliding window, as these models does not naturally handle…

Quantitative Methods · Quantitative Biology 2015-01-06 Søren Kaae Sønderby , Ole Winther

Predicting protein secondary structures such as alpha helices, beta sheets, and coils from amino acid sequences is essential for understanding protein function. This work presents a transformer-based model that applies attention mechanisms…

Artificial Intelligence · Computer Science 2025-12-10 Manzi Kevin Maxime

In biological research, fluorescence staining is a key technique to reveal the locations and morphology of subcellular structures. However, it is slow, expensive, and harmful to cells. In this paper, we model it as a deep learning task…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Donghao Zhou , Chunbin Gu , Junde Xu , Furui Liu , Qiong Wang , Guangyong Chen , Pheng-Ann Heng

Instead of conformation states of single residues, refined conformation states of quintuplets are proposed to reflect conformation correlation. Simple hidden Markov models combining with sliding window scores are used for predicting…

Biomolecules · Quantitative Biology 2007-05-23 Wei-Mou Zheng

Parameter-efficient transfer learning (PETL) aims to adapt large pre-trained models using limited parameters. While most PETL approaches update the added parameters and freeze pre-trained weights during training, the minimal impact of…

Computer Vision and Pattern Recognition · Computer Science 2024-07-22 Ruizi Han , Jinglei Tang

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

The paper presents a geometrical model for protein secondary structure analysis which uses only the positions of the $C_{\alpha}$-atoms. We construct a space curve connecting these positions by piecewise polynomial interpolation and…

Biomolecules · Quantitative Biology 2014-12-30 Gerald R. Kneller , Konrad Hinsen

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Deep learning-based hyperspectral image super-resolution (SR) methods have achieved great success recently. However, most existing models can not effectively explore spatial information and spectral information between bands simultaneously,…

Computer Vision and Pattern Recognition · Computer Science 2020-01-15 Qi Wang , Qiang Li , Xuelong Li

Sparse local feature extraction is usually believed to be of important significance in typical vision tasks such as simultaneous localization and mapping, image matching and 3D reconstruction. At present, it still has some deficiencies…

Computer Vision and Pattern Recognition · Computer Science 2025-08-18 Jiayuan Sun , Jiewen Zhu , Luping Ji

Perceptual similarity scores that align with human vision are critical for both training and evaluating computer vision models. Deep perceptual losses, such as LPIPS, achieve good alignment but rely on complex, highly non-linear…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Paula Seidler , Neill D. F. Campbell , Ivor J A Simpson

Is protein secondary structure primarily determined by local interactions between residues closely spaced along the amino acid backbone, or by non-local tertiary interactions? To answer this question we have measured the entropy densities…

Biomolecules · Quantitative Biology 2007-05-23 Gavin E. Crooks , Steven E. Brenner

Understanding sub-cellular protein localisation is an essential component to analyse context specific protein function. Recent advances in quantitative mass-spectrometry (MS) have led to high resolution mapping of thousands of proteins to…

Applications · Statistics 2019-03-12 Oliver M. Crook , Kathryn S. Lilley , Laurent Gatto , Paul D. W. Kirk

Accurately assigning folds for divergent protein sequences is a major obstacle to structural studies and underlies the inverse protein folding problem. Herein, we outline our theories for fold-recognition in the "twilight-zone" of sequence…

Quantitative Methods · Quantitative Biology 2010-08-31 Yoojin Hong , Kyung Dae Ko , Gaurav Bhardwaj , Zhenhai Zhang , Damian B. van Rossum , Randen L. Patterson

Tackling pattern recognition problems in areas such as computer vision, bioinformatics, speech or text recognition is often done best by taking into account task-specific statistical relations between output variables. In structured…

Machine Learning · Statistics 2016-03-14 Rein Houthooft , Filip De Turck

We propose a novel approach for predicting protein-peptide interactions using a bi-modal transformer architecture that learns an inter-facial joint distribution of residual contacts. The current data sets for crystallized protein-peptide…

Biomolecules · Quantitative Biology 2023-06-02 Justin Diamond , Markus Lill

Although convolution neural network based stereo matching architectures have made impressive achievements, there are still some limitations: 1) Convolutional Feature (CF) tends to capture appearance information, which is inadequate for…

Computer Vision and Pattern Recognition · Computer Science 2021-12-07 Biyang Liu , Huimin Yu , Yangqi Long

Existing self-supervised learning (SSL) methods primarily learn object-invariant representations but often neglect the spatial structure and relationships among object parts. To address this limitation, we introduce Spatial Prediction (SP),…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Yang Shen , Yusen Cai , Weronika Hryniewska-Guzik , Qing Lin , Mengmi Zhang

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan