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The M{\O}D computational framework implements rule-based generative chemistries as explicit transformations of graphs representing chemical structural formulae. Here, we expand M{\O}D by a stochastic simulation module that simulates the…

A validated simulation model primarily requires performing an appropriate input analysis mainly by determining the behavior of real-world processes using probability distributions. In many practical cases, probability distributions of the…

应用统计 · 统计学 2014-03-05 Issac Shams , Saeede Ajorlou , Kai Yang

Temporal sequences of discrete events that describe natural and social processes are often driven by non-Poisson dynamics. In addition to a heavy-tailed interevent time distribution, which primarily captures the deviation from a Poisson…

物理与社会 · 物理学 2025-12-08 Takayuki Hiraoka , Hang-Hyun Jo

Stochastic HYPE is a novel process algebra that models stochastic, instantaneous and continuous behaviour. It develops the flow-based approach of the hybrid process algebra HYPE by replacing non-urgent events with events with…

系统与控制 · 计算机科学 2014-11-18 Luca Bortolussi , Vashti Galpin , Jane Hillston

Marked point process data arise when events occur in a space with event-level marks. We study clustering of replicated marked Poisson point processes and introduce Dirichlet process mixtures of marked Poisson point processes, a Bayesian…

统计方法学 · 统计学 2026-05-12 Minsung Choi , Seonghyun Jeong

Most real world phenomena such as sunlight distribution under a forest canopy, minerals concentration, stock valuation, exhibit nonstationary dynamics i.e. phenomenon variation changes depending on the locality. Nonstationary dynamics pose…

机器学习 · 计算机科学 2018-11-05 Sahil Garg

The presence of erratic or unstable paths in standard kinetic Monte Carlo simulations significantly undermines the accurate simulation and sampling of transition pathways. While typically reliable methods, such as the Gillespie algorithm,…

统计力学 · 物理学 2024-12-03 Elad Korngut , Ohad Vilk , Michael Assaf

In the infectious disease literature, significant effort has been devoted to studying dynamics at a single scale. For example, compartmental models describing population-level dynamics are often formulated using differential equations. In…

种群与进化 · 定量生物学 2025-04-16 Yuan Yin , Jennifer A. Flegg , Mark B. Flegg

Based on the theory of stochastic chemical kinetics, the inherent randomness and stochasticity of biochemical reaction networks can be accurately described by discrete-state continuous-time Markov chains. The analysis of such processes is,…

数值分析 · 数学 2014-10-14 Andreychenko Alexander , Mikeev Linar , Wolf Verena

We present an improvement of the Gillespie Exact Stochastic Simulation Algorithm, which leverages a bitwise representation of variables to perform independent simulations in parallel. We show that the subsequent gain in computational yield…

统计力学 · 物理学 2024-12-24 David Lacoste , Michele Castellana

We present a probabilistic model of events in continuous time in which each event triggers a Poisson process of successor events. The ensemble of observed events is thereby modeled as a superposition of Poisson processes. Efficient…

机器学习 · 计算机科学 2012-03-19 Aleksandr Simma , Michael I. Jordan

Background: In Kreuz et al., J Neurosci Methods 381, 109703 (2022) two methods were proposed that perform latency correction, i.e., optimize the spike time alignment of sparse neuronal spike trains with well defined global spiking events.…

This work is motivated by the analysis of ecological interaction networks. Poisson stochastic blockmodels are widely used in this field to decipher the structure that underlies a weighted network, while accounting for covariate effects.…

应用统计 · 统计学 2019-07-24 Sophie Donnet , Stéphane Robin

We present a new method for simulating Markovian jump processes with time-dependent transitions rates, which avoids the transformation of random numbers by inverting time integrals over the rates. It relies on constructing a sequence of…

统计力学 · 物理学 2015-05-20 Viktor Holubec , Petr Chvosta , Mario Einax , Philipp Maass

Likelihood-based inference in stochastic non-linear dynamical systems, such as those found in chemical reaction networks and biological clock systems, is inherently complex and has largely been limited to small and unrealistically simple…

统计计算 · 统计学 2024-07-08 Ben Swallow , David A. Rand , Giorgos Minas

Prediction of events such as part replacement and failure events plays a critical role in reliability engineering. Event stream data are commonly observed in manufacturing and teleservice systems. Designing predictive models for individual…

机器学习 · 统计学 2020-11-09 Salman Jahani , Shiyu Zhou , Dharmaraj Veeramani , Jeff Schmidt

A version of the time-parallel algorithm parareal is analyzed and applied to stochastic models in chemical kinetics. A fast predictor at the macroscopic scale (evaluated in serial) is available in the form of the usual reaction rate…

数值分析 · 数学 2009-09-16 Stefan Engblom

The Cholesky decomposition is a fundamental tool for solving linear systems with symmetric and positive definite matrices which are ubiquitous in linear algebra, optimization, and machine learning. Its numerical stability can be improved by…

机器学习 · 计算机科学 2025-07-29 Filip de Roos , Fabio Muratore

Parallel replica dynamics is a method for accelerating the computation of processes characterized by a sequence of infrequent events. In this work, the processes are governed by the overdamped Langevin equation. Such processes spend much of…

数值分析 · 数学 2012-09-04 Gideon Simpson , Mitchell Luskin

We replicate a renewal process at random times, which is equivalent to nesting two renewal processes, or considering a renewal process subject to stochastic resetting. We investigate the consequences on the statistical properties of the…

统计力学 · 物理学 2025-01-31 Claude Godrèche , Jean-Marc Luck