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This paper is motivated by examples from stochastic reaction network theory. The $Q$-matrix of a stochastic reaction network can be derived from the reaction graph, an edge-labelled directed graph encoding the jump vectors of an associated…

Probability · Mathematics 2021-12-24 Chuang Xu , Mads Christian Hansen , Carsten Wiuf

Full Bayesian computational inference for model determination in undirected graphical models is currently restricted to decomposable graphs, except for problems of very small scale. In this paper we develop new, more efficient methodology…

Computation · Statistics 2012-06-05 Peter J. Green , Alun Thomas

This paper is devoted to the construction of a new fast-to-evaluate model for the prediction of 2D crack paths in concrete-like microstructures. The model generates piecewise linear cracks paths with segmentation points selected using a…

Machine Learning · Computer Science 2022-01-07 Kathleen Pele , Jean Baccou , Loïc Daridon , Jacques Liandrat , Thibaut Le Gouic , Yann Monerie , Frédéric Péralès

Gibbs samplers are preeminent Markov chain Monte Carlo algorithms used in computational physics and statistical computing. Yet, their most fundamental properties, such as relations between convergence characteristics of their various…

Computation · Statistics 2024-07-11 Iwona Chlebicka , Krzysztof Łatuszyński , Błażej Miasojedow

In this study, we tackle the challenging task of predicting secondary structures from protein primary sequences, a pivotal initial stride towards predicting tertiary structures, while yielding crucial insights into protein activity,…

Machine Learning · Computer Science 2025-11-18 Disha Varshney , Samarth Garg , Sarthak Tyagi , Deeksha Varshney , Nayan Deep , Asif Ekbal

We study Markov chains for $\alpha$-orientations of plane graphs, these are orientations where the outdegree of each vertex is prescribed by the value of a given function $\alpha$. The set of $\alpha$-orientations of a plane graph has a…

Combinatorics · Mathematics 2023-06-22 Stefan Felsner , Daniel Heldt

Given the importance of non-coding RNAs to cellular regulatory functions and rapid growth of RNA transcripts, computational prediction of RNA tertiary structure remains highly demanded yet significantly challenging. Even for a short RNA…

Biomolecules · Quantitative Biology 2014-07-29 Liang Ding , Xingran Xue , Sal LaMarca , Mohammad Mohebbi , Abdul Samad , Russell L. Malmberg , Liming Cai

We present a new Markov chain Monte Carlo algorithm, implemented in software Arbores, for inferring the history of a sample of DNA sequences. Our principal innovation is a bridging procedure, previously applied only for simple stochastic…

Computation · Statistics 2019-03-06 Kari Heine , Alex Beskos , Ajay Jasra , David Balding , Maria De Iorio

We propose a new topological characterization of RNA secondary structures with pseudoknots based on two topological invariants. Starting from the classic arc-representation of RNA secondary structures, we consider a model that couples both…

Biomolecules · Quantitative Biology 2016-10-19 Graziano Vernizzi , Henri Orland , A. Zee

In this paper an original interacting particle system approach is developed for studying Markov chains in rare event regimes. The proposed particle system is theoretically studied through a genealogical tree interpretation of Feynman--Kac…

Probability · Mathematics 2007-05-23 Pierre Del Moral , Josselin Garnier

Inspired by recent successes using single-stranded DNA tiles to produce complex structures, we develop a two-step coarse-graining approach that uses detailed thermodynamic calculations with oxDNA, a nucleotide-based model of DNA, to…

Soft Condensed Matter · Physics 2018-04-09 Pedro Fonseca , Flavio Romano , John S. Schreck , Thomas E. Ouldridge , Jonathan P. K. Doye , Ard A. Louis

To evaluate a fitting of a statistical model to given data, calculating a conditional $p$ value by a Markov chain Monte Carlo method is one of the effective approaches. For this purpose, a Markov basis plays an important role because it…

Methodology · Statistics 2017-02-06 Satoshi Aoki , Takayuki Hibi

This contribution focuses on the fascinating RNA molecule, its sequence-dependent folding driven by base-pairing interactions, the interplay between these interactions and natural evolution, and its multiple regulatory roles. The four of us…

Statistical Mechanics · Physics 2022-07-28 Simona Cocco , Andrea De Martino , Andrea Pagnani , Martin Weigt

Global variational approximation methods in graphical models allow efficient approximate inference of complex posterior distributions by using a simpler model. The choice of the approximating model determines a tradeoff between the…

Artificial Intelligence · Computer Science 2013-01-14 Tal El-Hay , Nir Friedman

We derive a message passing method for computing the spectra of locally tree-like networks and an approximation to it that allows us to compute closed-form expressions or fast numerical approximates for the spectral density of random graphs…

Physics and Society · Physics 2019-04-19 M. E. J. Newman , Xiao Zhang , Raj Rao Nadakuditi

It has been well accepted that the RNA secondary structures of most functional non-coding RNAs (ncRNAs) are closely related to their functions and are conserved during evolution. Hence, prediction of conserved secondary structures from…

Biomolecules · Quantitative Biology 2013-07-09 Michiaki Hamada

Prior results for tRNA and 5S rRNA demonstrated that secondary structure prediction accuracy can be significantly improved by modifying the parameters in the multibranch loop entropic penalty function. However, for reasons not well…

Biomolecules · Quantitative Biology 2025-03-28 Svetlana Poznanović , Owen Cardwell , Christine Heitsch

Sampling uniform simple graphs with power-law degree distributions with degree exponent $\tau\in(2,3)$ is a non-trivial problem. We propose a method to sample uniform simple graphs that uses a constrained version of the configuration model…

Probability · Mathematics 2017-11-17 Tom Bannink , Remco van der Hofstad , Clara Stegehuis

Spike-sorting techniques attempt to classify a series of noisy electrical waveforms according to the identity of the neurons that generated them. Existing techniques perform this classification ignoring several properties of actual neurons…

Quantitative Methods · Quantitative Biology 2007-05-23 Christophe Pouzat

We study the N-step binary stationary ergodic Markov chain and analyze its differential entropy. Supposing that the correlations are weak we express the conditional probability function of the chain through the pair correlation function and…

Statistical Mechanics · Physics 2015-06-24 S. S. Melnik , O. V. Usatenko