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The prediction of organic reaction outcomes is a fundamental problem in computational chemistry. Since a reaction may involve hundreds of atoms, fully exploring the space of possible transformations is intractable. The current solution…

Machine Learning · Computer Science 2018-01-01 Wengong Jin , Connor W. Coley , Regina Barzilay , Tommi Jaakkola

Stochastic modeling of reaction networks is a framework used to describe the time evolution of many natural and artificial systems, including, biochemical reactive systems at the molecular level, viral kinetics, the spread of epidemic…

Numerical Analysis · Mathematics 2014-06-10 Alvaro Moraes , Raul Tempone , Pedro Vilanova

Reaction networks are widely used models to describe biochemical processes. Stochastic fluctuations in the counts of biological macromolecules have amplified consequences due to their small population sizes. This makes it necessary to favor…

Probability · Mathematics 2022-02-28 Daniele Cappelletti , Badal Joshi

We introduce an alternative formulation of the exact stochastic simulation algorithm (SSA) for sampling trajectories of the chemical master equation for a well-stirred system of coupled chemical reactions. Our formulation is based on…

Quantitative Methods · Quantitative Biology 2015-05-13 Rajesh Ramaswamy , Nélido González-Segredo , Ivo F. Sbalzarini

The existing literature on stochastic simulation of chemical reaction networks has a tendency to move as quickly as possible to the abstract formulation of the stochastic dynamics in terms of probabilities based on the concept of the…

Statistics Theory · Mathematics 2007-06-13 Sergey Plyasunov

When analysing gene expression time series data an often overlooked but crucial aspect of the model is that the regulatory network structure may change over time. Whilst some approaches have addressed this problem previously in the…

Molecular Networks · Quantitative Biology 2012-03-05 Thomas Thorne , Michael P. H Stumpf

This work reviews deterministic and diffusion approximations of the stochastic chemical reaction networks and explains their applications. We discuss the added value the diffusion approximation provides for systems with different phenomena,…

Probability · Mathematics 2018-01-15 Pavel Mozgunov , Marco Beccuti , Andras Horvath , Thomas Jaki , Roberta Sirovich , Enrico Bibbona

Various processes can be modelled as quasi-reaction systems of stochastic differential equations, such as cell differentiation and disease spreading. Since the underlying data of particle interactions, such as reactions between proteins or…

Methodology · Statistics 2024-06-06 Matteo Framba , Veronica Vinciotti , Ernst C. Wit

The past decade has seen a revived interest in the unavoidable or intrinsic noise in biochemical and genetic networks arising from the finite copy number of the participating species. That is, rather than modeling regulatory networks in…

Molecular Networks · Quantitative Biology 2015-03-17 Aleksandra M. Walczak , Andrew Mugler , Chris H. WIggins

The identification of Linear Time-Varying (LTV) systems from input-output data is a fundamental yet challenging ill-posed inverse problem. This work introduces a unified Bayesian framework that models the system's impulse response, $h(t,…

Machine Learning · Statistics 2026-04-01 Yaniv Shulman

This paper presents a discrete-time nonlinear system identification method while satisfying the stability and safety properties of the system with high probability. An Extreme Learning Machine (ELM) is used with a Gaussian assumption on the…

Systems and Control · Electrical Eng. & Systems 2022-10-04 Iman Salehi , Tyler Taplin , Ashwin P. Dani

Biological systems are driven by intricate interactions among the complex array of molecules that comprise the cell. Many methods have been developed to reconstruct network models of those interactions. These methods often draw on large…

Molecular Networks · Quantitative Biology 2018-06-29 Marieke Lydia Kuijjer , Matthew Tung , GuoCheng Yuan , John Quackenbush , Kimberly Glass

In this article, we present a finite time stopping criterion for consensus algorithms in networks with dynamic communication topology. Recent results provide asymptotic convergence to the consensus algorithm. However, the asymptotic…

Systems and Control · Electrical Eng. & Systems 2019-09-04 Govind Saraswat , Vivek Khatana , Sourav Patel , Murti V. Salapaka

Theoretical results regarding two-dimensional ordinary-differential equations (ODEs) with second-degree polynomial right-hand sides are summarized, with an emphasis on limit cycles, limit cycle bifurcations and multistability. The results…

Molecular Networks · Quantitative Biology 2017-05-30 Tomislav Plesa , Tomas Vejchodsky , Radek Erban

Our main purpose is to compare classical nonself-centered, two-signal theoretical models of the adaptive immune system with a novel, self-centered, one-signal model developed by our research group. Our model hypothesizes that the immune…

Molecular Networks · Quantitative Biology 2020-12-02 Tamás Szabados , Csaba Kerepesi , Tibor Bakács

This paper focuses on the outline of some computational methods for the approximate solution of the integral equations for the neuronal firing probability density and an algorithm for the generation of sample-paths in order to construct…

Probability · Mathematics 2007-05-23 E. Di Nardo , A. G. Nobile , E. Pirozzi , L. M. Ricciardi

In this paper, we try to solve the problem of temporal link prediction in information networks. This implies predicting the time it takes for a link to appear in the future, given its features that have been extracted at the current network…

Machine Learning · Computer Science 2017-06-22 Sina Sajadmanesh , Jiawei Zhang , Hamid R. Rabiee

This paper studies the problem of recursively estimating the weighted adjacency matrix of a network out of a temporal sequence of binary-valued observations. The observation sequence is generated from nonlinear networked dynamics in which…

Systems and Control · Electrical Eng. & Systems 2019-12-06 Yu Xing , Xingkang He , Haitao Fang , Karl Henrik Johansson

Using the concept of self-decomposable subordinators introduced in Gardini et al. [11], we build a new bivariate Normal Inverse Gaussian process that can capture stochastic delays. In addition, we also develop a novel path simulation scheme…

Computational Finance · Quantitative Finance 2020-11-10 Matteo Gardini , Piergiacomo Sabino , Emanuela Sasso

Real-time Decision algorithms are a class of incremental resource-bounded [Horvitz, 89] or anytime [Dean, 93] algorithms for evaluating influence diagrams. We present a test domain for real-time decision algorithms, and the results of…

Artificial Intelligence · Computer Science 2013-02-18 Bruce D'Ambrosio , Scott Burgess