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In this paper, we propose an optimization-based sparse learning approach to identify the set of most influential reactions in a chemical reaction network. This reduced set of reactions is then employed to construct a reduced chemical…

Optimization and Control · Mathematics 2017-12-14 Farshad Harirchi , Omar A. Khalil , Sijia Liu , Paolo Elvati , Angela Violi , Alfred O. Hero

We introduce a statistical physics inspired supervised machine learning algorithm for classification and regression problems. The method is based on the invariances or stability of predicted results when known data is represented as…

Machine Learning · Statistics 2018-11-19 Patrick Chao , Tahereh Mazaheri , Bo Sun , Nicholas B. Weingartner , Zohar Nussinov

This work proposes to model the space environment as a stochastic dynamic network where each node is a group of objects of a given class, or species, and their relationship is represented by stochastic links. A set of stochastic dynamic…

Dynamical Systems · Mathematics 2025-05-23 Yirui Wang , Pietro De Marchi , Massimiliano Vasile

The EM-algorithm is a general procedure to get maximum likelihood estimates if part of the observations on the variables of a network are missing. In this paper a stochastic version of the algorithm is adapted to probabilistic neural…

Artificial Intelligence · Computer Science 2013-03-26 Gerhard Paass

Real-world data often exhibits sequential dependence, across diverse domains such as human behavior, medicine, finance, and climate modeling. Probabilistic methods capture the inherent uncertainty associated with prediction in these…

Machine Learning · Statistics 2024-03-08 Alex Boyd

The use of mathematical methods for the analysis of chemical reaction systems has a very long history, and involves many types of models: deterministic versus stochastic, continuous versus discrete, and homogeneous versus spatially…

Molecular Networks · Quantitative Biology 2018-05-29 Polly Y. Yu , Gheorghe Craciun

Stochastic models of chemical reaction networks are an important tool to describe and analyze noise effects in cell biology. When chemical species and reaction rates in a reaction system have different orders of magnitude, the associated…

Probability · Mathematics 2020-09-15 German Enciso , Jinsu Kim

Reaction prediction remains one of the major challenges for organic chemistry, and is a pre-requisite for efficient synthetic planning. It is desirable to develop algorithms that, like humans, "learn" from being exposed to examples of the…

Chemical Physics · Physics 2017-06-01 Jennifer N. Wei , David Duvenaud , Alán Aspuru-Guzik

Poisson autoregressive count models have evolved into a time series staple for correlated count data. This paper proposes an alternative to Poisson autoregressions: count echo state networks. Echo state networks can be statistically…

Methodology · Statistics 2025-01-27 Qi Wang , Paul A. Parker , Robert B. Lund

Stochastic differential equations can describe a wide range of dynamical systems, and obtaining the governing equations of these systems is the premise of studying the nonlinear dynamic behavior of the system. Neural networks are currently…

Dynamical Systems · Mathematics 2023-04-25 Xiao-Kai An , Lin Du , Zi-Chen Deng , Yu-jia Zhang

We consider chance-constrained problems with discrete random distribution. We aim for problems with a large number of scenarios. We propose a novel method based on the stochastic gradient descent method which performs updates of the…

Optimization and Control · Mathematics 2019-05-28 Lukáš Adam , Martin Branda

The complexity of mathematical models in biology has rendered model reduction an essential tool in the quantitative biologist's toolkit. For stochastic reaction networks described using the Chemical Master Equation, commonly used methods…

Quantitative Methods · Quantitative Biology 2023-03-29 K. Öcal , G. Sanguinetti , R. Grima

Stochasticity is a key characteristic of intracellular processes such as gene regulation and chemical signalling. Therefore, characterising stochastic effects in biochemical systems is essential to understand the complex dynamics of living…

Molecular Networks · Quantitative Biology 2019-03-04 David J. Warne , Ruth E. Baker , Matthew J. Simpson

Recently several authors have proposed stochastic evolutionary models for the growth of complex networks that give rise to power-law distributions. These models are based on the notion of preferential attachment leading to the ``rich get…

Physics and Society · Physics 2007-05-23 Trevor Fenner , Mark Levene , George Loizou

Autoregressive models capture stochastic processes in which past realizations determine the generative distribution of new data; they arise naturally in a variety of industrial, biomedical, and financial settings. A key challenge when…

Statistics Theory · Mathematics 2020-07-30 Daren Wang , Yi Yu , Alessandro Rinaldo , Rebecca Willett

As a surrogate for computationally intensive meso-scale simulation of woven composites, this article presents Recurrent Neural Network (RNN) models. Leveraging the power of transfer learning, the initialization challenges and sparse data…

Materials Science · Physics 2024-07-08 Ehsan Ghane , Martin Fagerström , Mohsen Mirkhalaf

We first derive the Hamilton-Jacobi theory underlying continuous-time Markov processes, and then use the construction to develop a variational algorithm for estimating escape (least improbable or first passage) paths for a generic…

Statistical Mechanics · Physics 2023-03-29 Praful Gagrani , Eric Smith

We explore the perspectives of machine learning techniques in the context of quantum field theories. In particular, we discuss two-dimensional complex scalar field theory at nonzero temperature and chemical potential -- a theory with a…

High Energy Physics - Lattice · Physics 2019-07-17 Kai Zhou , Gergely Endrődi , Long-Gang Pang , Horst Stöcker

Under suitable assumptions, the dynamic behaviour of a chemical reaction network is governed by an autonomous set of polynomial ordinary differential equations over continuous variables representing the concentrations of the reactant…

Dynamical Systems · Mathematics 2014-07-15 Matthew D. Johnston , David Siegel

Recurrent neural networks are powerful tools for understanding and modeling computation and representation by populations of neurons. Continuous-variable or "rate" model networks have been analyzed and applied extensively for these…

Neurons and Cognition · Quantitative Biology 2016-01-29 Brian DePasquale , Mark M. Churchland , L. F. Abbott