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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…

机器学习 · 计算机科学 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…

分子网络 · 定量生物学 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…

计算机科学中的逻辑 · 计算机科学 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…

生物大分子 · 定量生物学 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…

计算机视觉与模式识别 · 计算机科学 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…

信号处理 · 电气工程与系统科学 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…

机器学习 · 计算机科学 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…

生物大分子 · 定量生物学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

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,…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

定量方法 · 定量生物学 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…

机器学习 · 计算机科学 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…

生物大分子 · 定量生物学 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…

机器学习 · 计算机科学 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…

软件工程 · 计算机科学 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…

生物大分子 · 定量生物学 2023-12-18 Zhiqin Zhu , Zheng Yao , Guanqiu Qi , Neal Mazur , Baisen Cong