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The specific region of an antibody responsible for binding to an antigen, known as the paratope, is essential for immune recognition. Accurate identification of this small yet critical region can accelerate the development of therapeutic…

Biomolecules · Quantitative Biology 2025-10-08 Gabriel Athènes , Adam Woolfe , Thierry Mora , Aleksandra M. Walczak

Antibodies are vital proteins offering robust protection for the human body from pathogens. The development of general protein and antibody-specific pre-trained language models both facilitate antibody prediction tasks. However, there have…

Computation and Language · Computer Science 2023-03-03 Danqing Wang , Fei Ye , Hao Zhou

Human metapneumovirus (hMPV) poses serious risks to pediatric, elderly, and immunocompromised populations. Traditional antibody discovery pipelines require 10-12 months, limiting their applicability for rapid outbreak response. This project…

Quantitative Methods · Quantitative Biology 2025-09-01 Shawnak Shivakumar , Matthew Sandora

Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

Biomolecules · Quantitative Biology 2023-07-18 Seokhyun Moon , Sang-Yeon Hwang , Jaechang Lim , Woo Youn Kim

The accurate diagnosis of pathological subtypes of lung cancer is of paramount importance for follow-up treatments and prognosis managements. Assessment methods utilizing deep learning technologies have introduced novel approaches for…

Image and Video Processing · Electrical Eng. & Systems 2024-07-19 Yuan Jin , Gege Ma , Geng Chen , Tianling Lyu , Jan Egger , Junhui Lyu , Shaoting Zhang , Wentao Zhu

Histopathology remains the gold standard for cancer diagnosis because it provides detailed cellular-level assessment of tissue morphology. However, manual histopathological examination is time-consuming, labour-intensive, and subject to…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Ravi Mosalpuri , Mohammed Abdelsamea , Ahmed Karam Eldaly

As interpretability has been pointed out as the obstacle to the adoption of Deep Neural Networks (DNNs), there is an increasing interest in solving a transparency issue to guarantee the impressive performance. In this paper, we demonstrate…

Image and Video Processing · Electrical Eng. & Systems 2021-07-20 Woo-Jeoung Nam , Seong-Whan Lee

Deep neural network models can learn clinically relevant features from millions of histopathology images. However generating high-quality annotations to train such models for each hospital, each cancer type, and each diagnostic task is…

This paper presents a new artificial neuron model capable of learning its receptive field in the topological domain of inputs. The model provides adaptive and differentiable local connectivity (plasticity) applicable to any domain. It…

Neural and Evolutionary Computing · Computer Science 2020-09-08 F. Boray Tek

While deep neural networks have achieved remarkable performance, they tend to lack transparency in prediction. The pursuit of greater interpretability in neural networks often results in a degradation of their original performance. Some…

Computer Vision and Pattern Recognition · Computer Science 2024-08-09 Hefeng Wu , Hao Jiang , Keze Wang , Ziyi Tang , Xianghuan He , Liang Lin

Adopting Convolutional Neural Networks (CNNs) in the daily routine of primary diagnosis requires not only near-perfect precision, but also a sufficient degree of generalization to data acquisition shifts and transparency. Existing CNN…

Computer Vision and Pattern Recognition · Computer Science 2023-06-22 Mara Graziani , Sebastian Otalora , Stephane Marchand-Maillet , Henning Muller , Vincent Andrearczyk

Deep convolutional neural networks have proven their effectiveness, and have been acknowledged as the most dominant method for image classification. However, a severe drawback of deep convolutional neural networks is poor explainability.…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Bin Wang , Wenbin Pei , Bing Xue , Mengjie Zhang

Retinal vessel segmentation plays a key role in computer-aided screening, diagnosis, and treatment of various cardiovascular and ophthalmic diseases. Recently, deep learning-based retinal vessel segmentation algorithms have achieved…

Image and Video Processing · Electrical Eng. & Systems 2021-08-05 Wei Feng , Lie Ju , Lin Wang , Kaimin Song , Xin Wang , Xin Zhao , Qingyi Tao , Zongyuan Ge

Skin cancer is one of the most prevalent and potentially life-threatening diseases worldwide, necessitating early and accurate diagnosis to improve patient outcomes. Conventional diagnostic methods, reliant on clinical expertise and…

Computer Vision and Pattern Recognition · Computer Science 2025-01-28 Mirza Ahsan Ullah , Tehseen Zia

Interpretability is crucial to enhance trust in machine learning models for medical diagnostics. However, most state-of-the-art image classifiers based on neural networks are not interpretable. As a result, clinicians often resort to known…

Predicting the binding free energy between antibodies and antigens is a key challenge in structure-aware biomolecular modeling, with direct implications for antibody design. Most existing methods either rely solely on sequence embeddings or…

Biomolecules · Quantitative Biology 2025-08-28 Ciyuan Yu , Hongzong Li , Jiahao Ma , Shiqin Tang , Ye-Fan Hu , Jian-Dong Huang

Deep networks that rely on prototypes-interpretable representations that can be related to the model input-have gained significant attention for balancing high accuracy with inherent interpretability, which makes them suitable for critical…

Machine Learning · Computer Science 2026-04-20 Mohammad Mahdi Abootorabi , Parvin Mousavi , Purang Abolmaesumi , Evan Shelhamer

Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity prediction, their accuracy is still limited, partially because…

Biomolecules · Quantitative Biology 2024-09-04 Yaosen Min , Ye Wei , Peizhuo Wang , Xiaoting Wang , Han Li , Nian Wu , Stefan Bauer , Shuxin Zheng , Yu Shi , Yingheng Wang , Ji Wu , Dan Zhao , Jianyang Zeng

We present ProtoViT, a method for interpretable image classification combining deep learning and case-based reasoning. This method classifies an image by comparing it to a set of learned prototypes, providing explanations of the form ``this…

Computer Vision and Pattern Recognition · Computer Science 2025-09-11 Chiyu Ma , Jon Donnelly , Wenjun Liu , Soroush Vosoughi , Cynthia Rudin , Chaofan Chen

Interpretability is essential in medical imaging to ensure that clinicians can comprehend and trust artificial intelligence models. In this paper, we propose a novel interpretable approach that combines attribute regularization of the…

Image and Video Processing · Electrical Eng. & Systems 2023-12-15 Maxime Di Folco , Cosmin I. Bercea , Julia A. Schnabel