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The model of chemical reaction networks is among the oldest and most widely studied and used in natural science. The model describes reactions among abstract chemical species, for instance $A + B \to C$, which indicates that if a molecule…

Data Structures and Algorithms · Computer Science 2026-02-16 Joshua Petrack , David Doty

This note shows that split-2 bisimulation equivalence (also known as timed equivalence) affords a finite equational axiomatization over the process algebra obtained by adding an auxiliary operation proposed by Hennessy in 1981 to the…

Logic in Computer Science · Computer Science 2017-01-11 Luca Aceto , Wan Fokkink , Anna Ingolfsdottir , Bas Luttik

Count outcomes in longitudinal studies are frequent in clinical and engineering studies. In frequentist and Bayesian statistical analysis, methods such as Mixed linear models allow the variability or correlation within individuals to be…

Methodology · Statistics 2024-07-15 Alejandra Estefanía Patiño Hoyos , Johnatan Cardona Jiménez

A parallel numerical simulation algorithm is presented for fractional-order systems involving Caputo-type derivatives, based on the Adams-Bashforth-Moulton (ABM) predictor-corrector scheme. The parallel algorithm is implemented using…

Mathematical Software · Computer Science 2017-10-04 Cosmin Bonchis , Eva Kaslik , Florin Rosu

Biochemical reaction networks are often modelled using discrete-state, continuous-time Markov chains. System statistics of these Markov chains usually cannot be calculated analytically and therefore estimates must be generated via…

Quantitative Methods · Quantitative Biology 2016-04-19 Daniel Wilson , Ruth E. Baker

Quantum phase estimation (QPE) is the key subroutine of several quantum computing algorithms as well as a central ingredient in quantum computational chemistry and quantum simulation. While QPE strategies have focused on the estimation of a…

Quantum Physics · Physics 2021-07-26 Valentin Gebhart , Augusto Smerzi , Luca Pezzè

While distributed systems with transfer of processes have become pervasive, methods for reasoning about their behaviour are underdeveloped. In this paper we propose a bisimulation technique for proving behavioural equivalence of such…

Logic in Computer Science · Computer Science 2011-05-09 Adrien Piérard , Eijiro Sumii

The Gillespie algorithm is commonly used to simulate and analyze complex chemical reaction networks. Here, we leverage recent breakthroughs in deep learning to develop a fully differentiable variant of the Gillespie algorithm. The…

Biological Physics · Physics 2025-01-22 Krishna Rijal , Pankaj Mehta

Boolean matrix factorisation aims to decompose a binary data matrix into an approximate Boolean product of two low rank, binary matrices: one containing meaningful patterns, the other quantifying how the observations can be expressed as a…

Machine Learning · Statistics 2017-02-28 Tammo Rukat , Chris C. Holmes , Michalis K. Titsias , Christopher Yau

We introduce an efficient parallelization scheme to implement pixel-by-pixel nanophotonic optimization using a Green's function based formalism. The crucial insight in our proposal is the reframing of the optimization algorithm as a…

Although Gillespie's algorithm is justified under a set of axioms based on the assumption of homogeneity of the system, many chemical systems deviate from this assumption, as is the case for reactions taking place in low-mobility media.…

Chemical Physics · Physics 2024-05-08 José Bastardo , Ney Luiggi

Many applications of computational fluid dynamics require multiple simulations of a flow under different input conditions. In this paper, a numerical algorithm is developed to efficiently determine a set of such simulations in which the…

Numerical Analysis · Mathematics 2017-05-29 Max Gunzburger , Nan Jiang , Zhu Wang

In the realm of statistical learning, the increasing volume of accessible data and increasing model complexity necessitate robust methodologies. This paper explores two branches of robust Bayesian methods in response to this trend. The…

Methodology · Statistics 2024-12-02 Masahiro Tanaka

The time-ordered product framework of quantum field theory can also be used to understand salient phenomena in stochastic biochemical networks. It is used here to derive Gillespie's Stochastic Simulation Algorithm (SSA) for chemical…

Quantitative Methods · Quantitative Biology 2015-06-11 Eric Mjolsness

Simulating the unitary dynamics of a quantum system is a fundamental problem of quantum mechanics, in which quantum computers are believed to have significant advantage over their classical counterparts. One prominent such instance is the…

Quantum Physics · Physics 2024-09-04 John M. Martyn , Yuan Liu , Zachary E. Chin , Isaac L. Chuang

Use copula to model dependency of variable extends multivariate gaussian assumption. In this paper we first empirically studied copula regression model with continous response. Both simulation study and real data study are given. Secondly…

Methodology · Statistics 2021-01-05 Weijian Luo , Mai Wo

We propose a general stochastic formalism for describing the evolution of chemical reactions involving a finite number of molecules. This approach is consistent with the statistical analysis based on the Chemical Master Equation, and…

Statistical Mechanics · Physics 2023-01-13 Chiara Pezzotti , Massimiliano Giona

Bayesian inference for complex models with an intractable likelihood can be tackled using algorithms performing many calls to computer simulators. These approaches are collectively known as "simulation-based inference" (SBI). Recent SBI…

Sampling from the full posterior distribution of high-dimensional non-linear, non-Gaussian latent dynamical models presents significant computational challenges. While Particle Gibbs (also known as conditional sequential Monte Carlo) is…

Computation · Statistics 2025-03-05 Adrien Corenflos , Simo Särkkä

The analysis of non-real-valued data, such as binary time series, has attracted great interest in recent years. This manuscript proposes a post-selection estimator for estimating the coefficient matrices of a high-dimensional generalized…

Methodology · Statistics 2025-12-03 Dehao Dai , Yunyi Zhang
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