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Graphs as a type of data structure have recently attracted significant attention. Representation learning of geometric graphs has achieved great success in many fields including molecular, social, and financial networks. It is natural to…

Machine Learning · Computer Science 2021-07-08 Tian Xia , Wei-Shinn Ku

The Gene or DNA sequence in every cell does not control genetic properties on its own; Rather, this is done through translation of DNA into protein and subsequent formation of a certain 3D structure. The biological function of a protein is…

Computational Engineering, Finance, and Science · Computer Science 2019-05-30 Leila Khalatbari , Mohammad Reza Kangavari , Saeid Hosseini , Hongzhi Yin , Ngai-Man Cheung

Protein-protein interactions (PPIs) between a virus and its host govern infection, replication, and pathogenesis. While high-throughput mapping has identified thousands of virus-host associations, much of the virus-host interactome remains…

Immunology is the emerging research area which deals with the study of the immune system in any living organism. It is modelled through various computational and mathematical models to deal with the problem facing while to boost the immune…

Cell Behavior · Quantitative Biology 2019-06-21 Gajendra Pratap Singh , Madhuri Jha

Electronic health records (EHR) contain narrative notes that provide extensive details on the medical condition and management of patients. Natural language processing (NLP) of clinical notes can use observed frequencies of clinical terms…

Computation and Language · Computer Science 2023-07-04 Bryan Cai , Sihang Zeng , Yucong Lin , Zheng Yuan , Doudou Zhou , Lu Tian

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

Molecular property prediction is essential in a variety of contemporary scientific fields, such as drug development and designing energy storage materials. Although there are many machine learning models available for this purpose, those…

Machine Learning · Computer Science 2025-06-03 Gihan Panapitiya , Peiyuan Gao , C Mark Maupin , Emily G Saldanha

We propose a statistical multiscale mapping approach to identify microscopic and molecular heterogeneity across a tumor microenvironment using multiparametric MR (mp-MR). Twenty-nine patients underwent pre-surgical mp-MR followed by…

Medical Physics · Physics 2019-07-26 Jason G Parker , PhD , Emily E Diller , MS , Sha Cao , PhD , Jeremy T Nelson , PhD , Kristen Yeom , MD , Chang Ho , MD , Robert Lober , MD , PhD

Effectively medication recommendation with complex multimorbidity conditions is a critical task in healthcare. Most existing works predicted medications based on longitudinal records, which assumed the information transmitted patterns of…

Machine Learning · Computer Science 2023-09-13 Sicen Liu , Xiaolong Wang , JIngcheng Du , Yongshuai Hou , Xianbing Zhao , Hui Xu , Hui Wang , Yang Xiang , Buzhou Tang

Interpretability is often an essential requirement in medical imaging. Advanced deep learning methods are required to address this need for explainability and high performance. In this work, we investigate whether additional information…

Computer Vision and Pattern Recognition · Computer Science 2026-02-25 Luisa Gallee , Meinrad Beer , Michael Goetz

Human epidermal growth factor receptor 2 (HER2) is a critical protein in cancer cell growth that signifies the aggressiveness of breast cancer (BC) and helps predict its prognosis. Accurate assessment of immunohistochemically (IHC) stained…

Explainable AI (XAI) in medical histopathology is essential for enhancing the interpretability and clinical trustworthiness of deep learning models in cancer diagnosis. However, the black-box nature of these models often limits their…

Image and Video Processing · Electrical Eng. & Systems 2025-05-06 Raktim Kumar Mondol , Ewan K. A. Millar , Peter H. Graham , Lois Browne , Arcot Sowmya , Erik Meijering

The biological function of a protein stems from its 3-dimensional structure, which is thermodynamically determined by the energetics of interatomic forces between its amino acid building blocks (the order of amino acids, known as the…

Biomolecules · Quantitative Biology 2019-05-03 Sean Mullane , Ruoyan Chen , Sri Vaishnavi Vemulapalli , Eli J. Draizen , Ke Wang , Cameron Mura , Philip E. Bourne

Proteins are the major building blocks of life, and actuators of almost all chemical and biophysical events in living organisms. Their native structures in turn enable their biological functions which have a fundamental role in drug design.…

Breast cancer, the most common malignancy among women, requires precise detection and classification for effective treatment. Immunohistochemistry (IHC) biomarkers like HER2, ER, and PR are critical for identifying breast cancer subtypes.…

Computer Vision and Pattern Recognition · Computer Science 2025-03-31 Ekansh Chauhan , Anila Sharma , Amit Sharma , Vikas Nishadham , Asha Ghughtyal , Ankur Kumar , Gurudutt Gupta , Anurag Mehta , C. V. Jawahar , P. K. Vinod

Biologists frequently desire protein inhibitors for a variety of reasons, including use as research tools for understanding biological processes and application to societal problems in agriculture, healthcare, etc. Immunotherapy, for…

Machine Learning · Computer Science 2024-11-04 Po-Yu Liang , Jun Bai

Longitudinal MRI analysis is crucial for predicting disease outcomes, particularly in chronic conditions like hepatocellular carcinoma (HCC), where early detection can significantly influence treatment strategies and patient prognosis. Yet,…

Computer Vision and Pattern Recognition · Computer Science 2025-01-23 Jakob Nolte , Maureen M. J. Guichelaar , Donald E. Bouman , Stephanie M. van den Berg , Maryam Amir Haeri

Influenza poses a significant threat to public health, particularly among the elderly, young children, and people with underlying dis-eases. The manifestation of severe conditions, such as pneumonia, highlights the importance of preventing…

Machine Learning · Computer Science 2024-02-23 Yanhua Xu , Dominik Wojtczak

Utilizing clinical texts in survival analysis is difficult because they are largely unstructured. Current automatic extraction models fail to capture textual information comprehensively since their labels are limited in scope. Furthermore,…

Computation and Language · Computer Science 2021-05-04 Hyun Gi Lee , Evan Sholle , Ashley Beecy , Subhi Al'Aref , Yifan Peng

Breast cancer's complexity and variability pose significant challenges in understanding its progression and guiding effective treatment. This study aims to integrate protein sequence data with expression levels to improve the molecular…

Biomolecules · Quantitative Biology 2025-10-31 Hossein Sholehrasa , Majid Jaberi-Douraki