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Living organisms rely on molecular networks, such as gene circuits and signaling pathways, for information processing and robust decision-making in crowded, noisy environments. Recent advances show that interacting biomolecules…

Accurate delineation of electrocardiogram (ECG), the segmentation of meaningful waveform features, is crucial for cardiovascular diagnostics. However, the scarcity of annotated data poses a significant challenge for training deep learning…

Machine Learning · Computer Science 2026-05-18 Jeonghwa Lim , Minje Park , Sunghoon Joo

We introduce Compartmentalized Diffusion Models (CDM), a method to train different diffusion models (or prompts) on distinct data sources and arbitrarily compose them at inference time. The individual models can be trained in isolation, at…

Machine Learning · Computer Science 2024-10-15 Aditya Golatkar , Alessandro Achille , Ashwin Swaminathan , Stefano Soatto

Inverse protein folding, the process of designing sequences that fold into a specific 3D structure, is crucial in bio-engineering and drug discovery. Traditional methods rely on experimentally resolved structures, but these cover only a…

Biomolecules · Quantitative Biology 2023-11-27 Igor Melnyk , Aurelie Lozano , Payel Das , Vijil Chenthamarakshan

Computational protein design facilitates discovery of novel proteins with prescribed structure and functionality. Exciting designs were recently reported using novel data-driven methodologies that can be roughly divided into two categories:…

Biological Physics · Physics 2023-03-28 Cyril Malbranke , David Bikard , Simona Cocco , Rémi Monasson , Jérôme Tubiana

Model tracing and constraint-based modeling are two approaches to diagnose student input in stepwise tasks. Model tracing supports identifying consecutive problem-solving steps taken by a student, whereas constraint-based modeling supports…

Artificial Intelligence · Computer Science 2025-07-21 Gerben van der Hoek , Johan Jeuring , Rogier Bos

Statistical shape analysis is a powerful tool to assess organ morphologies and find shape changes associated to a particular disease. However, imbalance in confounding factors, such as demographics might invalidate the analysis if not taken…

Coronary microvascular dysfunction (CMD), characterized by impaired regulation of blood flow in the coronary microcirculation, plays a key role in the pathogenesis of ischemic heart disease and is increasingly recognized as a contributor to…

Computational Engineering, Finance, and Science · Computer Science 2025-12-25 Haizhou Yang , Jiyang Zhang , Brahmajee K. Nallamothu , Krishna Garikipati , C. Alberto Figueroa

Leveraging big data for patient care is promising in many medical fields such as cardiovascular health. For example, hemodynamic biomarkers like wall shear stress could be assessed from patient-specific medical images via machine learning…

Computer Vision and Pattern Recognition · Computer Science 2025-08-27 Julian Suk , Jolanda J. Wentzel , Patryk Rygiel , Joost Daemen , Daniel Rueckert , Jelmer M. Wolterink

Deep learning-based image generation has seen significant advancements with diffusion models, notably improving the quality of generated images. Despite these developments, generating images with unseen characteristics beneficial for…

Accurate segmentation of carotid artery structures in histopathological images is vital for cardiovascular disease research. This study systematically evaluates ten deep learning segmentation models including classical architectures, modern…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Phongsakon Mark Konrad , Andrei-Alexandru Popa , Yaser Sabzehmeidani , Liang Zhong , Madhulika Tripathy , Andrei Constantinescu , Elisa A. Liehn , Serkan Ayvaz

We propose a method to classify cardiac pathology based on a novel approach to extract image derived features to characterize the shape and motion of the heart. An original semi-supervised learning procedure, which makes efficient use of a…

Computer Vision and Pattern Recognition · Computer Science 2019-03-29 Qiao Zheng , Hervé Delingette , Nicholas Ayache

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Chemical Physics · Physics 2025-02-04 Ming Han , Ge Sun , Juan J. de Pablo

Human induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CMs) are an effective tool for studying cardiac function and disease, and hold promise for screening drug effects on human tissue. Changes to motion patterns in these cells…

Tissues and Organs · Quantitative Biology 2024-07-09 Henrik Finsberg , Verena Charwat , Kevin Healy , Samuel Wall

Structure-based drug design involves finding ligand molecules that exhibit structural and chemical complementarity to protein pockets. Deep generative methods have shown promise in proposing novel molecules from scratch (de-novo design),…

Quantitative Methods · Quantitative Biology 2021-11-09 Pavol Drotár , Arian Rokkum Jamasb , Ben Day , Cătălina Cangea , Pietro Liò

Deep learning based approaches to Computer Aided Diagnosis (CAD) typically pose the problem as an image classification (Normal or Abnormal) problem. These systems achieve high to very high accuracy in specific disease detection for which…

Computer Vision and Pattern Recognition · Computer Science 2020-10-06 Aniket Joshi , Gaurav Mishra , Jayanthi Sivaswamy

Cell instance segmentation is critical to analyzing biomedical images, yet accurately distinguishing tightly touching cells remains a persistent challenge. Existing instance segmentation frameworks, including detection-based, contour-based,…

Computer Vision and Pattern Recognition · Computer Science 2025-06-12 Ye Zhang , Yu Zhou , Yifeng Wang , Jun Xiao , Ziyue Wang , Yongbing Zhang , Jianxu Chen

Drug-target interaction (DTI) prediction is crucial for identifying new therapeutics and detecting mechanisms of action. While structure-based methods accurately model physical interactions between a drug and its protein target, cell-based…

Machine Learning · Computer Science 2024-10-24 John Arevalo , Ellen Su , Anne E Carpenter , Shantanu Singh

Cell imaging and analysis are fundamental to biomedical research because cells are the basic functional units of life. Among different cell-related analysis, cell counting and detection are widely used. In this paper, we focus on one common…

Computer Vision and Pattern Recognition · Computer Science 2019-04-19 Haoyi Liang , Aijaz Naik , Cedric L. Williams , Jaideep Kapur , Daniel S. Weller

Developing physics-based models for molecular simulation requires fitting many unknown parameters to diverse experimental datasets. Traditionally, this process is piecemeal and difficult to reproduce, leading to a fragmented landscape of…

Biological Physics · Physics 2025-04-10 Ryan K. Krueger , Megan C. Engel , Ryan Hausen , Michael P. Brenner