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The process of screening molecules for desirable properties is a key step in several applications, ranging from drug discovery to material design. During the process of drug discovery specifically, protein-ligand docking, or chemical…

Machine Learning · Computer Science 2022-11-08 Ryien Hosseini , Filippo Simini , Austin Clyde , Arvind Ramanathan

Deep learning methods are useful for high-dimensional data and are becoming widely used in many areas of software engineering. Deep learners utilizes extensive computational power and can take a long time to train-- making it difficult to…

Software Engineering · Computer Science 2024-02-19 Suvodeep Majumder , Nikhila Balaji , Katie Brey , Wei Fu , Tim Menzies

Factors models are routinely used to analyze high-dimensional data in both single-study and multi-study settings. Bayesian inference for such models relies on Markov Chain Monte Carlo (MCMC) methods which scale poorly as the number of…

Methodology · Statistics 2025-04-29 Blake Hansen , Alejandra Avalos-Pacheco , Massimiliano Russo , Roberta De Vito

Due to its longevity and enormous information density, DNA is an attractive medium for archival storage. In this work, we study the fundamental limits and tradeoffs of DNA-based storage systems under a simple model, motivated by current…

Information Theory · Computer Science 2017-05-16 Reinhard Heckel , Ilan Shomorony , Kannan Ramchandran , David N. C. Tse

Achieving robust uncertainty quantification for deep neural networks represents an important requirement in many real-world applications of deep learning such as medical imaging where it is necessary to assess the reliability of a neural…

Machine Learning · Computer Science 2024-03-15 Tim Rensmeyer , Oliver Niggemann

Exploration is a fundamental problem in robotics. While sampling-based planners have shown high performance, they are oftentimes compute intensive and can exhibit high variance. To this end, we propose to directly learn the underlying…

Robotics · Computer Science 2022-07-15 Lukas Schmid , Chao Ni , Yuliang Zhong , Roland Siegwart , Olov Andersson

In many modern computer application problems, the classification of image data plays an important role. Among many different supervised machine learning models, convolutional neural networks (CNNs) and linear discriminant analysis (LDA) as…

Computer Vision and Pattern Recognition · Computer Science 2024-11-01 Axel Klawonn , Martin Lanser , Janine Weber

During genomics life science research, the data volume of whole genomics and life science algorithm is going bigger and bigger, which is calculated as TB, PB or EB etc. The key problem will be how to store and analyze the data with…

Databases · Computer Science 2017-02-01 Hao Li

Sampling from unnormalized densities presents a fundamental challenge with wide-ranging applications, from posterior inference to molecular dynamics simulations. Continuous flow-based neural samplers offer a promising approach, learning a…

Machine Learning · Computer Science 2025-07-22 Wuhao Chen , Zijing Ou , Yingzhen Li

Given a set of aligned sequences of independent noisy observations, we are concerned with detecting intervals where the mean values of the observations change simultaneously in a subset of the sequences. The intervals of changed means are…

Applications · Statistics 2011-08-17 David Siegmund , Benjamin Yakir , Nancy R. Zhang

Clustering techniques are very attractive for extracting and identifying patterns in datasets. However, their application to very large spatial datasets presents numerous challenges such as high-dimensionality data, heterogeneity, and high…

Databases · Computer Science 2018-02-27 Malika Bendechache , Nhien-An Le-Khac , M-Tahar Kechadi

Data compression plays an important role to deal with high volumes of DNA sequences in the field of Bioinformatics. Again data compression techniques directly affect the alignment of DNA sequences. So the time needed to decompress a…

Computational Engineering, Finance, and Science · Computer Science 2012-11-13 Subhankar Roy , Sunirmal Khatua , Sudipta Roy , Samir K. Bandyopadhyay

Gene selection plays a pivotal role in oncology research for improving outcome prediction accuracy and facilitating cost-effective genomic profiling for cancer patients. This paper introduces two gene selection strategies for deep…

Genomics · Quantitative Biology 2024-03-05 Akhila Krishna , Ravi Kant Gupta , Pranav Jeevan , Amit Sethi

Successful sequencing experiments require judicious sample selection. However, this selection must often be performed on the basis of limited preliminary data. Predicting the statistical properties of the final sample based on preliminary…

Genomics · Quantitative Biology 2014-03-17 Simon Gravel , NHLBI GO Exome Sequencing Project

The present project aims to use machine learning, specifically neural networks (NN), to learn the trajectories of a set of coupled ordinary differential equations (ODEs) and decrease compute times for obtaining ODE solutions by using this…

Machine Learning · Computer Science 2020-09-18 Camila Faccini de Lima , Juliano Ferrari Gianlupi , John Metzcar , Juliette Zerick

Exemplar learning of visual similarities in an unsupervised manner is a problem of paramount importance to Computer Vision. In this context, however, the recent breakthrough in deep learning could not yet unfold its full potential. With…

Computer Vision and Pattern Recognition · Computer Science 2018-02-26 Artsiom Sanakoyeu , Miguel A. Bautista , Björn Ommer

Clustering has become an increasingly important task in analysing huge amounts of data. Traditional applications require that all data has to be located at the site where it is scrutinized. Nowadays, large amounts of heterogeneous, complex…

Databases · Computer Science 2014-09-24 Eshref Januzaj , Hans-Peter Kriegel , Martin Pfeifle

We present paired learning and inference algorithms for significantly reducing computation and increasing speed of the vector dot products in the classifiers that are at the heart of many NLP components. This is accomplished by partitioning…

Computation and Language · Computer Science 2015-05-25 Emma Strubell , Luke Vilnis , Kate Silverstein , Andrew McCallum

In this paper, we present a novel path planning algorithm to achieve fast path planning in complex environments. Most existing path planning algorithms are difficult to quickly find a feasible path in complex environments or even fail.…

Robotics · Computer Science 2021-10-20 Jianbang Liu , Baopu Li , Tingguang Li , Wenzheng Chi , Jiankun Wang , Max Q. -H. Meng

Studying cell morphology changes in time is critical to understanding cell migration mechanisms. In this work, we present a deep learning-based workflow to segment cancer cells embedded in 3D collagen matrices and imaged with phase-contrast…

Computer Vision and Pattern Recognition · Computer Science 2021-12-17 Estibaliz Gómez-de-Mariscal , Hasini Jayatilaka , Özgün Çiçek , Thomas Brox , Denis Wirtz , Arrate Muñoz-Barrutia