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Structure-based virtual screening aims to identify high-affinity ligands by estimating binding free energies between proteins and small molecules. However, the conformational flexibility of both proteins and ligands challenges conventional…

Biomolecules · Quantitative Biology 2025-07-15 Pei-Kun Yang

Evolution in its course found a variety of solutions to the same optimisation problem. The advent of high-throughput genomic sequencing has made available extensive data from which, in principle, one can infer the underlying structure on…

Quantitative Methods · Quantitative Biology 2016-04-12 Silvia Grigolon , Silvio Franz , Matteo Marsili

The advent of high-throughput sequencing technologies constituted a major advance in genomic studies, offering new prospects in a wide range of applications. We propose a rigorous and flexible algorithmic solution to mapping SOLiD…

Quantitative Methods · Quantitative Biology 2011-01-18 Laurent Noé , Marta L. Gîrdea , Gregory Kucherov

Future wireless networks are envisioned to provide ubiquitous sensing services, which also gives rise to a substantial demand for high-dimensional non-convex parameter estimation, i.e., the associated likelihood function is non-convex and…

Signal Processing · Electrical Eng. & Systems 2023-10-10 Zhixiang Hu , An Liu , Minjian Zhao

We present a pioneering investigation into the application of deep learning techniques to analyze histopathological images for addressing the substantial challenge of automated prognostic prediction. Prognostic prediction poses a unique…

Segmentation of structural and diffusion MRI (sMRI/dMRI) is usually performed independently in neuroimaging pipelines. However, some brain structures (e.g., globus pallidus, thalamus and its nuclei) can be extracted more accurately by…

Computer Vision and Pattern Recognition · Computer Science 2019-03-12 Juan Eugenio Iglesias , Koen Van Leemput , Polina Golland , Anastasia Yendiki

Modern DNA sequencing technologies enable geneticists to rapidly identify genetic variation among many human genomes. However, isolating the minority of variants underlying disease remains an important, yet formidable challenge for medical…

Genomics · Quantitative Biology 2015-06-15 Uma Paila , Brad Chapman , Rory Kirchner , Aaron Quinlan

Ultrasound standard plane recognition is essential for clinical tasks such as disease screening, organ evaluation, and biometric measurement. However, existing methods fail to effectively exploit shallow structural information and struggle…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Qing Cai , Guihao Yan , Fan Zhang , Cheng Zhang , Zhi Liu

Acquiring plausible pathways on high-dimensional structural distributions is beneficial in several domains. For example, in the drug discovery field, a protein conformational pathway, i.e. a highly probable sequence of protein structural…

Quantitative Methods · Quantitative Biology 2025-06-04 Ziyad Oulhaj , Yoshiyuki Ishii , Kento Ohga , Kimihiro Yamazaki , Mutsuyo Wada , Yuhei Umeda , Takashi Kato , Yuichiro Wada , Hiroaki Kurihara

Cancer segmentation in whole-slide images is a fundamental step for viable tumour burden estimation, which is of great value for cancer assessment. However, factors like vague boundaries or small regions dissociated from viable tumour areas…

Image and Video Processing · Electrical Eng. & Systems 2021-09-28 Yibao Sun , Giussepi Lopez , Yaqi Wang , Xingru Huang , Huiyu Zhou , Qianni Zhang

This work considers the problem of learning the structure of multivariate linear tree models, which include a variety of directed tree graphical models with continuous, discrete, and mixed latent variables such as linear-Gaussian models,…

Machine Learning · Computer Science 2011-11-09 Animashree Anandkumar , Kamalika Chaudhuri , Daniel Hsu , Sham M. Kakade , Le Song , Tong Zhang

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

We consider resequencing studies of associated loci and the problem of prioritizing sequence variants for functional follow-up. Working within the multivariate linear regression framework helps us to account for correlation across variants,…

Methodology · Statistics 2016-04-06 Laurel Stell , Chiara Sabatti

Computational methods for discovering patterns of local correlations in sequences are important in computational biology. Here we show how to determine the optimal partitioning of aligned sequences into non-overlapping segments such that…

Computational Engineering, Finance, and Science · Computer Science 2012-06-26 Joseph Bockhorst , Nebojsa Jojic

Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…

Machine Learning · Computer Science 2025-04-29 Radia Berreziga , Mohammed Brahimi , Khairedine Kraim , Hamid Azzoune

In recent years the importance of finding a meaningful pattern from huge datasets has become more challenging. Data miners try to adopt innovative methods to face this problem by applying feature selection methods. In this paper we propose…

Machine Learning · Computer Science 2014-03-11 Mehdi Naseriparsa , Amir-masoud Bidgoli , Touraj Varaee

Mean-field variational inference (MFVI) has been widely applied in large scale Bayesian inference. However MFVI, which assumes a product distribution on the latent variables, often leads to objective functions with many local optima, making…

Statistics Theory · Mathematics 2020-03-03 Mingzhang Yin , Y. X. Rachel Wang , Purnamrita Sarkar

We implement a visual interpretability method Layer-wise Relevance Propagation (LRP) on top of 3D U-Net trained to perform lesion segmentation on the small dataset of multi-modal images provided by ISLES 2017 competition. We demonstrate…

Image and Video Processing · Electrical Eng. & Systems 2020-01-14 Erico Tjoa , Guo Heng , Lu Yuhao , Cuntai Guan

Large pre-trained vision-language models (VLMs) offer a promising approach to leveraging human language for enhancing downstream tasks. However, VLMs such as CLIP face significant limitation: its performance is highly sensitive to prompt…

Computer Vision and Pattern Recognition · Computer Science 2025-03-13 Ao Li , Zongfang Liu , Xinhua Li , Jinghui Zhang , Pengwei Wang , Hu Wang

Feature selection is among the most important components because it not only helps enhance the classification accuracy, but also or even more important provides potential biomarker discovery. However, traditional multivariate methods is…

Computer Vision and Pattern Recognition · Computer Science 2016-05-26 Yilun Wang , Zhiqiang Li , Yifeng Wang , Xiaona Wang , Junjie Zheng , Xujuan Duan , Huafu Chen