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Drug repositioning holds great promise because it can reduce the time and cost of new drug development. While drug repositioning can omit various R&D processes, confirming pharmacological effects on biomolecules is essential for application…

Machine Learning · Computer Science 2022-12-29 Atsuko Takagi , Mayumi Kamada , Eri Hamatani , Ryosuke Kojima , Yasushi Okuno

By folding into particular 3D structures, proteins play a key role in living beings. To learn meaningful representation from a protein structure for downstream tasks, not only the global backbone topology but the local fine-grained…

Biomolecules · Quantitative Biology 2025-02-05 Jiahan Li , Shitong Luo , Congyue Deng , Chaoran Cheng , Jiaqi Guan , Leonidas Guibas , Jian Peng , Jianzhu Ma

Protein-protein interactions (PPIs) are critical for various biological processes, and understanding their dynamics is essential for decoding molecular mechanisms and advancing fields such as cancer research and drug discovery. Mutations in…

Biomolecules · Quantitative Biology 2023-09-26 Md Masud Rana , Duc Duy Nguyen

The genomic profile underlying an individual tumor can be highly informative in the creation of a personalized cancer treatment strategy for a given patient; a practice known as precision oncology. This involves next generation sequencing…

Motivation: The three-dimensional (3D) organization of the genome plays a critical role in regulating gene expression and maintaining cellular homeostasis. Disruptions in this spatial organization can result in abnormal chromatin…

Genomics · Quantitative Biology 2024-12-05 Minghao Jiang , Duohui Jing , Jason W. H. Wong

Invasive ductal carcinoma is a prevalent, potentially deadly disease associated with a high rate of morbidity and mortality. Its malignancy is the second leading cause of death from cancer in women. The mammogram is an extremely useful…

Computer Vision and Pattern Recognition · Computer Science 2021-11-09 Rushabh Patel

Clustering of proteins is of interest in cancer cell biology. This article proposes a hierarchical Bayesian model for protein (variable) clustering hinging on correlation structure. Starting from a multivariate normal likelihood, we enforce…

Computation · Statistics 2022-02-09 Riddhi Pratim Ghosh , Arnab Kumar Maity , Mohsen Pourahmadi , Bani K. Mallick

Molecular property prediction is becoming one of the major applications of graph learning in Web-based services, e.g., online protein structure prediction and drug discovery. A key challenge arises in few-shot scenarios, where only a few…

Machine Learning · Computer Science 2026-01-19 Van Thuy Hoang , O-Joun Lee

Understanding how protein mutations affect protein-nucleic acid binding is critical for unraveling disease mechanisms and advancing therapies. Current experimental approaches are laborious, and computational methods remain limited in…

Quantitative Methods · Quantitative Biology 2025-05-30 Xiang Liu , Junjie Wee , Guo-Wei Wei

Many large-scale applications can be elegantly represented using graph structures. Their scalability, however, is often limited by the domain knowledge required to apply them. To address this problem, we propose a novel Causal Temporal…

Machine Learning · Computer Science 2023-03-20 Abigail Langbridge , Fearghal O'Donncha , Amadou Ba , Fabio Lorenzi , Christopher Lohse , Joern Ploennigs

We present a means of formulating and solving the well known structure-and-motion problem in computer vision with probabilistic graphical models. We model the unknown camera poses and 3D feature coordinates as well as the observed 2D…

Computer Vision and Pattern Recognition · Computer Science 2021-10-11 Simon Streicher , Willie Brink , Johan du Preez

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

The pancreatic disease taxonomy includes ten types of masses (tumors or cysts)[20,8]. Previous work focuses on developing segmentation or classification methods only for certain mass types. Differential diagnosis of all mass types is…

Image and Video Processing · Electrical Eng. & Systems 2020-12-10 Tianyi Zhao , Kai Cao , Jiawen Yao , Isabella Nogues , Le Lu , Lingyun Huang , Jing Xiao , Zhaozheng Yin , Ling Zhang

The diagnosis and prognosis of cancer are typically based on multi-modal clinical data, including histology images and genomic data, due to the complex pathogenesis and high heterogeneity. Despite the advancements in digital pathology and…

Quantitative Methods · Quantitative Biology 2024-04-15 Zeyu Zhang , Yuanshen Zhao , Jingxian Duan , Yaou Liu , Hairong Zheng , Dong Liang , Zhenyu Zhang , Zhi-Cheng Li

Graph-based representation approaches have been proven to be successful in the analysis of biomedical data, due to their capability of capturing intricate dependencies between biological entities, such as the spatial organization of…

Machine Learning · Computer Science 2023-10-11 Manuel Madeira , Dorina Thanou , Pascal Frossard

Cancer is a heterogeneous disease with different combinations of genetic and epigenetic alterations driving the development of cancer in different individuals. While these alterations are believed to converge on genes in key cellular…

Quantitative Methods · Quantitative Biology 2015-03-31 Mark D. M. Leiserson , Hsin-Ta Wu , Fabio Vandin , Benjamin J. Raphael

Our work introduces an innovative approach to graph learning by leveraging Hyperdimensional Computing. Graphs serve as a widely embraced method for conveying information, and their utilization in learning has gained significant attention.…

Machine Learning · Computer Science 2024-03-20 Pere Verges , Igor Nunes , Mike Heddes , Tony Givargis , Alexandru Nicolau

Cryo-electron tomography (cryo-ET) enables structural characterization of biomolecules under near-native conditions. Existing approaches for interpreting the resulting three-dimensional volumes are computationally expensive and have…

Quantitative Methods · Quantitative Biology 2025-10-28 Chengxuan Li , August George , Reece Neff , Doo Nam Kim , Trevor Moser , Kate Baldwin , Malio Nelson , Arsam Firoozfar , James E Evans , Margaret S Cheung

Gastric cancer is the third leading cause of cancer-related mortality worldwide, but no guideline-recommended screening test exists. Existing methods can be invasive, expensive, and lack sensitivity to identify early-stage gastric cancer.…

Image and Video Processing · Electrical Eng. & Systems 2023-07-18 Mingze Yuan , Yingda Xia , Xin Chen , Jiawen Yao , Junli Wang , Mingyan Qiu , Hexin Dong , Jingren Zhou , Bin Dong , Le Lu , Li Zhang , Zaiyi Liu , Ling Zhang

Network theory has proven invaluable in unraveling complex protein interactions. Previous studies have employed statistical methods rooted in network theory, including the Gaussian graphical model, to infer networks among proteins,…

Methodology · Statistics 2026-05-07 Seungjun Ahn , Eun Jeong Oh