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Proteins are central to biological systems, participating as building blocks across all forms of life. Despite advancements in understanding protein functions through protein sequence analysis, there remains potential for further…

Machine Learning · Computer Science 2025-08-29 Yunqing Liu , Wenqi Fan , Xiaoyong Wei , Qing Li

Protein-protein interaction (PPI) networks, providing a comprehensive landscape of protein interacting patterns, enable us to explore biological processes and cellular components at multiple resolutions. For a biological process, a number…

Molecular Networks · Quantitative Biology 2016-04-13 Xiuli Ma , Guangyu Zhou , Jingjing Wang , Jian Peng , Jiawei Han

Interactive Theorem Provers (ITPs) are an indispensable tool in the arsenal of formal method experts as a platform for construction and (formal) verification of proofs. The complexity of the proofs in conjunction with the level of expertise…

Logic in Computer Science · Computer Science 2023-04-21 Eric Yeh , Briland Hitaj , Sam Owre , Maena Quemener , Natarajan Shankar

The Protein Secondary Structure Visualizer ProS2Vi is a novel Python-based visualization tool designed to enhance the analysis and accessibility of protein secondary structures calculated and identified by the Dictionary of Secondary…

Biomolecules · Quantitative Biology 2024-08-08 Luckman Qasim , Laleh Alisaraie

Wireframe parsing aims to recover line segments and their junctions to form a structured geometric representation useful for downstream tasks such as Simultaneous Localization and Mapping (SLAM). Existing methods predict lines and junctions…

Computer Vision and Pattern Recognition · Computer Science 2026-01-27 Chao Wang , Xuanying Li , Cheng Dai , Jinglei Feng , Yuxiang Luo , Yuqi Ouyang , Hao Qin

Graph topology identification (GTI) is a central challenge in networked systems, where the underlying structure is often hidden, yet nodal data are available. Conventional solutions to address these challenges rely on probabilistic models…

Signal Processing · Electrical Eng. & Systems 2026-02-18 Yongsheng Han , Raj Thilak Rajan , Geert Leus

Accurate drug target affinity prediction can improve drug candidate selection, accelerate the drug discovery process, and reduce drug production costs. Previous work focused on traditional fingerprints or used features extracted based on…

Machine Learning · Computer Science 2024-07-16 Amritpal Singh

Protein structure prediction remains to be an open problem in bioinformatics. There are two main categories of methods for protein structure prediction: Free Modeling (FM) and Template Based Modeling (TBM). Protein threading, belonging to…

Biomolecules · Quantitative Biology 2015-09-14 Haicang Zhang , Mingfu Shao , Chao Wang , Jianwei Zhu , Wei-Mou Zheng , Dongbo Bu

To enhance the precision of cancer prognosis, recent research has increasingly focused on multimodal survival methods by integrating genomic data and histology images. However, current approaches overlook the fact that the proteome serves…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Junjie Zhou , Bao Xue , Meiling Wang , Wei Shao , Daoqiang Zhang

Studying the function of proteins is important for understanding the molecular mechanisms of life. The number of publicly available protein structures has increasingly become extremely large. Still, the determination of the function of a…

Machine Learning · Computer Science 2018-03-02 Wajdi Dhifli , Abdoulaye Baniré Diallo

Conformal prediction is a framework for uncertainty quantification that constructs prediction sets for previously unseen data, guaranteeing coverage of the true label with a specified probability. However, the efficiency of these prediction…

Machine Learning · Computer Science 2026-01-06 Erfan Hajihashemi , Yanning Shen

In this study, we introduce CobWeb 1.0 which is a graphical user interface tailored explicitly for accurate image segmentation and representative elementary volume analysis of digital rock images derived from high resolution tomography. The…

Human-Computer Interaction · Computer Science 2018-04-10 Swarup Chauhan , Kathleen Sell , Frieder Enzmann , Wolfram Rühaak , Thorsten Wille , Ingo Sass , Michael Kersten

Current methods of multi-person pose estimation typically treat the localization and the association of body joints separately. It is convenient but inefficient, leading to additional computation and a waste of time. This paper, however,…

Computer Vision and Pattern Recognition · Computer Science 2021-07-28 Chenyu Tian , Ran Yu , Xinyuan Zhao , Weihao Xia , Haoqian Wang , Yujiu Yang

Pose prediction is to predict future poses given a window of previous poses. In this paper, we propose a new problem that predicts poses using 3D joint coordinate sequences. Different from the traditional pose prediction based on Mocap…

Computer Vision and Pattern Recognition · Computer Science 2019-09-05 Xiaoli Liu , Jianqin Yin , Huaping Liu , Yilong Yin

Detecting probable Drug Target Interaction (DTI) is a critical task in drug discovery. Conventional DTI studies are expensive, labor-intensive, and take a lot of time, hence there are significant reasons to construct useful computational…

Quantitative Methods · Quantitative Biology 2022-10-24 Tanya Liyaqat , Tanvir Ahmad , Chandni Saxena

We introduce Joint Probability Trees (JPT), a novel approach that makes learning of and reasoning about joint probability distributions tractable for practical applications. JPTs support both symbolic and subsymbolic variables in a single…

Machine Learning · Computer Science 2023-02-15 Daniel Nyga , Mareike Picklum , Tom Schierenbeck , Michael Beetz

Drug-target interaction (DTI) prediction plays a crucial role in drug discovery, and deep learning approaches have achieved state-of-the-art performance in this field. We introduce an ensemble of deep learning models (EnsembleDLM) for DTI…

Biomolecules · Quantitative Biology 2022-01-19 Po-Yu Kao , Shu-Min Kao , Nan-Lan Huang , Yen-Chu Lin

Computer-Aided Drug Discovery research has proven to be a promising direction in drug discovery. In recent years, Deep Learning approaches have been applied to problems in the domain such as Drug-Target Interaction Prediction and have shown…

Machine Learning · Computer Science 2020-04-28 Brighter Agyemang , Wei-Ping Wu , Michael Y. Kpiebaareh , Ebenezer Nanor

Just-In-Time (JIT) defect prediction aims to automatically predict whether a commit is defective or not, and has been widely studied in recent years. In general, most studies can be classified into two categories: 1) simple models using…

Software Engineering · Computer Science 2024-03-19 Xin Zhou , DongGyun Han , David Lo

As a necessary process in drug development, finding a drug compound that can selectively bind to a specific protein is highly challenging and costly. Drug-target affinity (DTA), which represents the strength of drug-target interaction…

Biomolecules · Quantitative Biology 2023-12-18 Zhiqin Zhu , Zheng Yao , Guanqiu Qi , Neal Mazur , Baisen Cong