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Drug discovery represents a time-consuming and financially intensive process, and virtual screening can accelerate it. Scoring functions, as one of the tools guiding virtual screening, have their precision closely tied to screening…

Machine Learning · Computer Science 2026-01-13 Haotian Gao , Xiangying Zhang , Jingyuan Li , Xinchong Chen , Haojie Wang , Yifei Qi , Renxiao Wang

The widely applied density peak clustering (DPC) algorithm makes an intuitive cluster formation assumption that cluster centers are often surrounded by data points with lower local density and far away from other data points with higher…

Machine Learning · Computer Science 2022-01-04 Yizhang Wang , Di Wang , You Zhou , Xiaofeng Zhang , Chai Quek

We focus on the analysis of planar shapes and solid objects having thin features and propose a new mathematical model to characterize them. Based on our model, that we call an epsilon-shape, we show how thin parts can be effectively and…

Computational Geometry · Computer Science 2018-01-09 Daniela Cabiddu , Marco Attene

Despite the constant evolution of similarity searching research, it continues to face the same challenges stemming from the complexity of the data, such as the curse of dimensionality and computationally expensive distance functions.…

Information Retrieval · Computer Science 2022-10-06 Jaroslav Oľha , Terézia Slanináková , Martin Gendiar , Matej Antol , Vlastislav Dohnal

Automated pavement crack detection and measurement are important road issues. Agencies have to guarantee the improvement of road safety. Conventional crack detection and measurement algorithms can be extremely time-consuming and low…

Computer Vision and Pattern Recognition · Computer Science 2020-02-11 Zhun Fan , Chong Li , Ying Chen , Paola Di Mascio , Xiaopeng Chen , Guijie Zhu , Giuseppe Loprencipe

Deep learning models (DLMs) frequently achieve accurate segmentation and classification of tumors from medical images. However, DLMs lacking feedback on their image segmentation mechanisms, such as Dice coefficients and confidence in their…

Image and Video Processing · Electrical Eng. & Systems 2024-12-31 Elhoucine Elfatimi , Pratik Shah

Surface cracks on buildings, natural walls and underground mine tunnels can indicate serious structural integrity issues that threaten the safety of the structure and people in the environment. Timely detection and monitoring of cracks are…

Computer Vision and Pattern Recognition · Computer Science 2021-11-24 Faris Azhari , Charlotte Sennersten , Michael Milford , Thierry Peynot

DBSCAN* and HDBSCAN* are well established density based clustering algorithms. However, obtaining the clusters of very large datasets is infeasible, limiting their use in real world applications. By exploiting the geometry of Euclidean…

Machine Learning · Computer Science 2022-03-16 A. L. Garcia-Pulido , K. P. Samardzhiev

Ultrasound imaging plays an important role in the diagnosis of vascular lesions. Accurate segmentation of the vascular wall is important for the prevention, diagnosis and treatment of vascular diseases. However, existing methods have…

Image and Video Processing · Electrical Eng. & Systems 2022-07-29 Qinghua Huang , Lizhi Jia , Guanqing Ren , Xiaoyi Wang , Chunying Liu

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Despite recent advancements in deep learning methods for protein structure prediction and representation, little focus has been directed at the simultaneous inclusion and prediction of protein backbone and sidechain structure information.…

Biomolecules · Quantitative Biology 2020-11-17 Jonathan E. King , David Ryan Koes

Several processes in the cell, such as gene regulation, start when key proteins recognise and bind to short DNA sequences. However, as these sequences can be hundreds of million times shorter than the genome, they are hard to find by simple…

Subcellular Processes · Quantitative Biology 2021-01-27 Markus Nyberg , Tobias Ambjörnsson , Per Stenberg , and Ludvig Lizana

Here we present a novel method for the analysis of transport processes in proteins and its implementation called CaverDock. Our method is based on a modified molecular docking algorithm. It iteratively places the ligand along the access…

Deep metric learning algorithms have been utilized to learn discriminative and generalizable models which are effective for classifying unseen classes. In this paper, a novel noise tolerant deep metric learning algorithm is proposed. The…

Machine Learning · Computer Science 2019-04-09 Soumyadeep Ghosh , Richa Singh , Mayank Vatsa

This paper discusses current methods and trends for 3D bounding box detection in volumetric medical image data. For this purpose, an overview of relevant papers from recent years is given. 2D and 3D implementations are discussed and…

Image and Video Processing · Electrical Eng. & Systems 2021-05-18 Daria Kern , Andre Mastmeyer

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

The current trend in object detection and localization is to learn predictions with high capacity deep neural networks trained on a very large amount of annotated data and using a high amount of processing power. In this work, we propose a…

Computer Vision and Pattern Recognition · Computer Science 2016-11-18 Bastien Moysset , Christoper Kermorvant , Christian Wolf

Deep learning has been a successful model which can effectively represent several features of input space and remarkably improve image recognition performance on the deep architectures. In our research, an adaptive structural learning…

Neural and Evolutionary Computing · Computer Science 2021-10-27 Shin Kamada , Takumi Ichimura

We propose a novel probabilistic dimensionality reduction framework that can naturally integrate the generative model and the locality information of data. Based on this framework, we present a new model, which is able to learn a smooth…

Machine Learning · Statistics 2016-10-18 Li Wang

We introduce a new computer aided detection and diagnosis system for lung cancer screening with low-dose CT scans that produces meaningful probability assessments. Our system is based entirely on 3D convolutional neural networks and…

Computer Vision and Pattern Recognition · Computer Science 2020-01-22 Onur Ozdemir , Rebecca L. Russell , Andrew A. Berlin