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We introduce a differentiable clustering method based on stochastic perturbations of minimum-weight spanning forests. This allows us to include clustering in end-to-end trainable pipelines, with efficient gradients. We show that our method…

Machine Learning · Computer Science 2023-11-07 Lawrence Stewart , Francis S Bach , Felipe Llinares López , Quentin Berthet

Principal component analysis (PCA) aims at estimating the direction of maximal variability of a high-dimensional dataset. A natural question is: does this task become easier, and estimation more accurate, when we exploit additional…

Information Theory · Computer Science 2014-06-19 Andrea Montanari , Emile Richard

Complex DNA topological structures, including polymer loops, are frequently observed in biological processes when protein molecules simultaneously bind to several distant sites on DNA. However, the molecular mechanisms of formation of these…

Soft Condensed Matter · Physics 2019-11-12 Jaeoh Shin , Anatoly B. Kolomeisky

Genetic information is stored in a linear sequence of base-pairs; however, thermal fluctuations and complex DNA conformations such as folds and loops make it challenging to order genomic material for in vitro analysis. In this work, we…

By means of the concept of Factorial Moments we examine DNA sequences from Yeast to distinguish coding and non-coding regions. It is found that the FM may be a powerful tool for analysis of DNA sequences. PACS numbers:…

Soft Condensed Matter · Physics 2009-11-07 Huijie Yang , Fangcui Zhao , Yizhong Zhuo , Xizhen Wu

A computational approach by an implementation of the Principle Component Analysis (PCA) with K-means and Gaussian Mixture (GM) clustering methods from Machine Learning (ML) algorithms to identify structural and dynamical heterogeneities of…

Statistical Mechanics · Physics 2023-09-01 Viet Nguyen , Xueyu Song

Ribonucleic acid (RNA) is involved in many regulatory and catalytic processes in the cell. The function of any RNA molecule is intimately related with its structure. In-line probing experiments provide valuable structural datasets for a…

Biomolecules · Quantitative Biology 2017-04-19 Vojtěch Mlýnský , Giovanni Bussi

It is a standard exercise in mechanical engineering to infer the external forces and torques on a body from its static shape and known elastic properties. Here we apply this kind of analysis to distorted double-helical DNA in complexes with…

Biomolecules · Quantitative Biology 2009-11-13 Nils B. Becker , Ralf Everaers

DNA nanotechnology uses predictable interactions of nucleic acids to precisely engineer complex nanostructures. Characterizing these self-assembled structures at the single-structure level is crucial for validating their design and…

Biological Physics · Physics 2025-10-21 Wangwei Dong , Zezhou Liu , Ruiyao Liu , Deborah Kuchnir Fygenson , Walter Reisner

The log-det distance between two aligned DNA sequences was introduced as a tool for statistically consistent inference of a gene tree under simple non-mixture models of sequence evolution. Here we prove that the log-det distance, coupled…

Populations and Evolution · Quantitative Biology 2018-06-14 Elizabeth S. Allman , Colby Long , John A. Rhodes

Fourier PCA is Principal Component Analysis of a matrix obtained from higher order derivatives of the logarithm of the Fourier transform of a distribution.We make this method algorithmic by developing a tensor decomposition method for a…

Machine Learning · Computer Science 2014-07-01 Navin Goyal , Santosh Vempala , Ying Xiao

Stochastic simulation can make the molecular processes of cellular control more vivid than the traditional differential-equation approach by generating typical system histories instead of just statistical measures such as the mean and…

Subcellular Processes · Quantitative Biology 2018-09-18 Kevin Y. Chen , Daniel M. Zuckerman , Philip C. Nelson

As a possible implementation of data storage using DNA, multiple strands of DNA are stored in a liquid container so that, in the future, they can be read by an array of DNA readers in parallel. These readers will sample the strands with…

Information Theory · Computer Science 2024-09-04 Hsin-Po Wang , Venkatesan Guruswami

Mode separation, namely how sharply a distribution fragments into barrier-separated clusters, is a fundamental geometric property of densities, difficult to quantify in high dimensions. It is structurally distinct from dispersion, yet…

Machine Learning · Statistics 2026-05-12 Shaul Tolkovsky , Ori Meidler , Or Zuk

DNA is an astonishing material that can be used as a molecular building block to construct periodic arrays and devices with nanoscale accuracy and precision. Here, we present simple bead-spring model of DNA nanostars having three, four and…

Soft Condensed Matter · Physics 2021-10-22 Supriyo Naskar , Dhiraj Bhatia , Shiang-Tai Lin , Prabal K. Maiti

The field of complex self-assembly is moving toward the design of multi-particle structures consisting of thousands of distinct building blocks. To exploit the potential benefits of structures with such `addressable complexity,' we need to…

Soft Condensed Matter · Physics 2015-06-02 William M. Jacobs , Aleks Reinhardt , Daan Frenkel

By using the Jensen-Shannon divergence, genomic DNA can be divided into compositionally distinct domains through a standard recursive segmentation procedure. Each domain, while significantly different from its neighbours, may however share…

Biological Physics · Physics 2009-11-07 Rajeev K. Azad , J. Subba Rao , Wentian Li , Ramakrishna Ramaswamy

In this paper, we propose and study a Nystr\"om based approach to efficient large scale kernel principal component analysis (PCA). The latter is a natural nonlinear extension of classical PCA based on considering a nonlinear feature map or…

Machine Learning · Statistics 2019-07-12 Nicholas Sterge , Bharath Sriperumbudur , Lorenzo Rosasco , Alessandro Rudi

Owing to its longevity and enormous information density, DNA, the molecule encoding biological information, has emerged as a promising archival storage medium. However, due to technological constraints, data can only be written onto many…

Emerging Technologies · Computer Science 2018-03-12 Reinhard Heckel , Gediminas Mikutis , Robert N. Grass

The adsorption or adhesion of large particles (proteins, colloids, cells, >...) at the liquid-solid interface plays an important role in many diverse applications. Despite the apparent complexity of the process, two features are…

Statistical Mechanics · Physics 2007-05-23 J. Talbot , G. Tarjus , P. R. Van Tassel , P. Viot