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Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a…

Biomolecules · Quantitative Biology 2024-03-11 Bozhen Hu , Cheng Tan , Lirong Wu , Jiangbin Zheng , Jun Xia , Zhangyang Gao , Zicheng Liu , Fandi Wu , Guijun Zhang , Stan Z. Li

Accurate localization of proteins from fluorescence microscopy images is challenging due to the inter-class similarities and intra-class disparities introducing grave concerns in addressing multi-class classification problems. Conventional…

Computer Vision and Pattern Recognition · Computer Science 2021-10-11 Muhammad Tahir , Saeed Anwar , Ajmal Mian , Abdul Wahab Muzaffar

Objective: We develop a computer-aided diagnosis (CAD) system using deep learning approaches for lesion detection and classification on whole-slide images (WSIs) with breast cancer. The deep features being distinguishing in classification…

Image and Video Processing · Electrical Eng. & Systems 2021-08-29 Wei-Wen Hsu , Yongfang Wu , Chang Hao , Yu-Ling Hou , Xiang Gao , Yun Shao , Xueli Zhang , Tao He , Yanhong Tai

Proteins perform nearly all cellular functions and constitute most drug targets, making their analysis fundamental to understanding human biology in health and disease. Tandem mass spectrometry (MS$^2$) is the major analytical technique in…

Biomolecules · Quantitative Biology 2025-09-01 Hao Xu , Zhichao Wang , Shengqi Sang , Pisit Wajanasara , Nuno Bandeira

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Quantitative Methods · Quantitative Biology 2022-07-15 Aaron Wang

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

Soft Condensed Matter · Physics 2019-01-07 Marco Giulini , Raffaello Potestio

The computer-aided detection (CADe) systems are developed to assist pathologists in slide assessment, increasing diagnosis efficiency and reducing missing inspections. Many studies have shown such a CADe system with deep learning approaches…

Computer Vision and Pattern Recognition · Computer Science 2019-03-05 Wei-Wen Hsu , Chung-Hao Chen , Chang Hoa , Yu-Ling Hou , Xiang Gao , Yun Shao , Xueli Zhang , Jingjing Wang , Tao He , Yanghong Tai

Motivation: Post-database searching is a key procedure in peptide dentification with tandem mass spectrometry (MS/MS) strategies for refining peptide-spectrum matches (PSMs) generated by database search engines. Although many statistical…

Machine Learning · Statistics 2018-05-09 Xijun Liang , Zhonghang Xia , Yongxiang Wang , Ling Jian , Xinnan Niu , Andrew Link

Post-translational modifications (PTMs) serve as a dynamic chemical language regulating protein function, yet current proteomic methods remain blind to a vast portion of the modified proteome. Standard database search algorithms suffer from…

Quantitative Methods · Quantitative Biology 2025-12-16 Yuhan Chen , Shang Qu , Zhiqiang Gao , Yuejin Yang , Xiang Zhang , Sheng Xu , Xinjie Mao , Liujia Qian , Jiaqi Wei , Zijie Qiu , Chenyu You , Lei Bai , Ning Ding , Tiannan Guo , Bowen Zhou , Siqi Sun

A device capable of performing real time classification of proteins in a clinical setting would allow for inexpensive and rapid disease diagnosis. One such candidate for this technology are nanopore devices. These devices work by measuring…

Machine Learning · Computer Science 2025-09-18 Samuel Tovey , Julian Hoßbach , Sandro Kuppel , Tobias Ensslen , Jan C. Behrends , Christian Holm

Statistical shape modeling is an important tool to characterize variation in anatomical morphology. Typical shapes of interest are measured using 3D imaging and a subsequent pipeline of registration, segmentation, and some extraction of…

Computer Vision and Pattern Recognition · Computer Science 2018-10-02 Riddhish Bhalodia , Shireen Y. Elhabian , Ladislav Kavan , Ross T. Whitaker

The limits of molecular dynamics (MD) simulations of macromolecules are steadily pushed forward by the relentless developments of computer architectures and algorithms. This explosion in the number and extent (in size and time) of MD…

Breast cancer is one of the leading causes of death globally, and thus there is an urgent need for early and accurate diagnostic techniques. Although ultrasound imaging is a widely used technique for breast cancer screening, it faces…

Image and Video Processing · Electrical Eng. & Systems 2025-02-11 Pandiyaraju V , Shravan Venkatraman , Pavan Kumar S , Santhosh Malarvannan , Kannan A

The discovery of novel proteins relies on sensitive protein identification, for which de novo peptide sequencing (DNPS) from mass spectra is a crucial approach. While deep learning has advanced DNPS, existing models inadequately enforce the…

Quantitative Methods · Quantitative Biology 2026-02-25 Shaorong Chen , Jingbo Zhou , Jun Xia

Although melanoma occurs more rarely than several other skin cancers, patients' long term survival rate is extremely low if the diagnosis is missed. Diagnosis is complicated by a high discordance rate among pathologists when distinguishing…

Recently, deep learning-based denoising approaches have led to dramatic improvements in low sample-count Monte Carlo rendering. These approaches are aimed at path tracing, which is not ideal for simulating challenging light transport…

Graphics · Computer Science 2020-04-28 Shilin Zhu , Zexiang Xu , Henrik Wann Jensen , Hao Su , Ravi Ramamoorthi

Machine learning methods are used to discover complex nonlinear relationships in biological and medical data. However, sophisticated learning models are computationally unfeasible for data with millions of features. Here we introduce the…

Accurate identification of bioactive peptides (BPs) and protein post-translational modifications (PTMs) is essential for understanding protein function and advancing therapeutic discovery. However, most computational methods remain limited…

Machine Learning · Computer Science 2025-12-05 Jixiu Zhai , Zikun Wang , Chupei Tang , Haitian Zhong , Ziyang Xu , Yuhuan Liu , Shengrui Xu , Jingwan Wang , Dan Huang , Tianchi Lu

Understanding and extracting the patterns of microscopy images has been a major challenge in the biomedical field. Although trained scientists can locate the proteins of interest within a human cell, this procedure is not efficient and…

Computer Vision and Pattern Recognition · Computer Science 2020-06-09 Hanke Chen

Statistical shape modeling (SSM) is an enabling quantitative tool to study anatomical shapes in various medical applications. However, directly using 3D images in these applications still has a long way to go. Recent deep learning methods…

Computer Vision and Pattern Recognition · Computer Science 2023-10-04 Abu Zahid Bin Aziz , Jadie Adams , Shireen Elhabian