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Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on…

Machine Learning · Computer Science 2024-12-03 Zuobai Zhang , Pascal Notin , Yining Huang , Aurélie Lozano , Vijil Chenthamarakshan , Debora Marks , Payel Das , Jian Tang

Accurate spatiotemporal image reconstruction methods are needed for a wide range of biomedical research areas but face challenges due to data incompleteness and computational burden. Data incompleteness arises from the undersampling often…

Image and Video Processing · Electrical Eng. & Systems 2024-10-10 Luke Lozenski , Refik Mert Cam , Mark D. Pagel , Mark A. Anastasio , Umberto Villa

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

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

Understanding the spatial architecture of the tumor microenvironment (TME) is critical to advance precision oncology. We present ProteinPNet, a novel framework based on prototypical part networks that discovers TME motifs from spatial…

Machine Learning · Computer Science 2025-12-03 Louis McConnell , Jieran Sun , Theo Maffei , Raphael Gottardo , Marianna Rapsomaniki

The integration of spatial multi-omics data from single tissues is crucial for advancing biological research. However, a significant data imbalance impedes progress: while spatial transcriptomics data is relatively abundant, spatial…

Artificial Intelligence · Computer Science 2026-02-06 Zhaorui Jiang , Yingfang Yuan , Lei Hu , Wei Pang

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

Spatial transcriptomics (ST) provides spatially resolved measurements of gene expression, enabling characterization of the molecular landscape of human tissue beyond histological assessment as well as localized readouts that can be aligned…

Computer Vision and Pattern Recognition · Computer Science 2026-02-17 Konstantin Hemker , Andrew H. Song , Cristina Almagro-Pérez , Guillaume Jaume , Sophia J. Wagner , Anurag Vaidya , Nikola Simidjievski , Mateja Jamnik , Faisal Mahmood

Motivation Protein fold recognition is an important problem in structural bioinformatics. Almost all traditional fold recognition methods use sequence (homology) comparison to indirectly predict the fold of a tar get protein based on the…

Machine Learning · Computer Science 2017-06-06 Jie Hou , Badri Adhikari , Jianlin Cheng

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing…

Machine Learning · Computer Science 2023-04-11 Can Chen , Jingbo Zhou , Fan Wang , Xue Liu , Dejing Dou

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

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

Protein secondary structure (SS) prediction is important for studying protein structure and function. When only the sequence (profile) information is used as input feature, currently the best predictors can obtain ~80% Q3 accuracy, which…

Biomolecules · Quantitative Biology 2015-12-14 Sheng Wang , Jian Peng , Jianzhu Ma , Jinbo Xu

Spatial transcriptomics is an emerging technology that aligns histopathology images with spatially resolved gene expression profiling. It holds the potential for understanding many diseases but faces significant bottlenecks such as…

Computer Vision and Pattern Recognition · Computer Science 2024-01-12 Gabriel Mejia , Paula Cárdenas , Daniela Ruiz , Angela Castillo , Pablo Arbeláez

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

This paper addresses the challenge of Neural Field (NeF) generalization, where models must efficiently adapt to new signals given only a few observations. To tackle this, we propose Geometric Neural Process Fields (G-NPF), a probabilistic…

Computer Vision and Pattern Recognition · Computer Science 2025-02-05 Wenzhe Yin , Zehao Xiao , Jiayi Shen , Yunlu Chen , Cees G. M. Snoek , Jan-Jakob Sonke , Efstratios Gavves

Protein structure prediction is one of the most important problems in computational biology. The most successful computational approach, also called template-based modeling, identifies templates with solved crystal structures for the query…

Biomolecules · Quantitative Biology 2013-06-20 Jian Peng

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

Spatial transcriptomics (ST) provides crucial insights into tissue micro-environments, but is limited to its high cost and complexity. As an alternative, predicting gene expression from pathology whole slide images (WSI) is gaining…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Mingcheng Qu , Yuncong Wu , Donglin Di , Yue Gao , Tonghua Su , Yang Song , Lei Fan

Spatial Transcriptomics (ST) is a method that captures gene expression profiles aligned with spatial coordinates. The discrete spatial distribution and the super-high dimensional sequencing results make ST data challenging to be modeled…

Machine Learning · Computer Science 2025-05-08 Qingtian Zhu , Yumin Zheng , Yuling Sang , Yifan Zhan , Ziyan Zhu , Jun Ding , Yinqiang Zheng
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