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This paper presents a stability test for a class of interconnected nonlinear systems motivated by biochemical reaction networks. One of the main results determines global asymptotic stability of the network from the diagonal stability of a…

Quantitative Methods · Quantitative Biology 2007-05-23 Murat Arcak , Eduardo D. Sontag

Many biological systems can be modeled as a chemical reaction network with unknown parameters. Data available to identify these parameters are often in the form of a stationary distribution, such as that obtained from measurements of a cell…

Systems and Control · Electrical Eng. & Systems 2023-09-14 Theodore W. Grunberg , Domitilla Del Vecchio

We propose a method for gene expression based analysis of cancer phenotypes incorporating network biology knowledge through unsupervised construction of computational graphs. The structural construction of the computational graphs is driven…

Molecular Networks · Quantitative Biology 2020-10-02 Paul Scherer , Maja Trȩbacz , Nikola Simidjievski , Zohreh Shams , Helena Andres Terre , Pietro Liò , Mateja Jamnik

The field of hypothesis generation promises to reduce costs in neuroscience by narrowing the range of interventional studies needed to study various phenomena. Existing machine learning methods can generate scientific hypotheses from…

Machine Learning · Computer Science 2025-07-04 Zachary C. Brown , David Carlson

Rapid discovery of new reactions and molecules in recent years has been facilitated by the advancements in high throughput screening, accessibility to a much more complex chemical design space, and the development of accurate molecular…

Molecular Networks · Quantitative Biology 2023-03-28 Vipul Mann , Venkat Venkatasubramanian

Inferring topological characteristics of complex networks from observed data is critical to understand the dynamical behavior of networked systems, ranging from the Internet and the World Wide Web to biological networks and social networks.…

Multiagent Systems · Computer Science 2020-05-13 Chunheng Jiang , Jianxi Gao , Malik Magdon-Ismail

We present a statistical framework for generating predicted dynamic networks based on the observed evolution of social relationships in a population. The framework includes a novel and flexible procedure to sample dynamic networks given a…

Social and Information Networks · Computer Science 2020-10-14 Ravi Goyal , Victor De Gruttola

We consider local bifurcations of equilibria in dynamical systems arising from chemical reaction networks with mass action kinetics. In particular, given any mass action network admitting a local bifurcation of equilibria, assuming only a…

Dynamical Systems · Mathematics 2025-05-20 Murad Banaji , Balázs Boros , Josef Hofbauer

Inverse problems and, in particular, inferring unknown or latent parameters from data are ubiquitous in engineering simulations. A predominant viewpoint in identifying unknown parameters is Bayesian inference where both prior information…

Computation · Statistics 2022-08-31 Vahid Keshavarzzadeh , Robert M. Kirby , Akil Narayan

We consider linear elimination of variables in steady state equations of a chemical reaction network. Particular subsets of variables corresponding to sets of so-called reactant-noninteracting species, are introduced. The steady state…

Molecular Networks · Quantitative Biology 2018-07-03 Meritxell Sáez , Carsten Wiuf , Elisenda Feliu

Dynamical system models of complex biochemical reaction networks are usually high-dimensional, nonlinear, and contain many unknown parameters. In some cases the reaction network structure dictates that positive equilibria must be unique for…

Dynamical Systems · Mathematics 2008-09-09 Gheorghe Craciun , J. William Helton , Ruth J. Williams

We develop a data-driven method to learn chemical reaction networks from trajectory data. Modeling the reaction system as a continuous-time Markov chain and assuming the system is fully observed, our method learns the propensity functions…

Optimization and Control · Mathematics 2019-11-25 Wei Zhang , Stefan Klus , Tim Conrad , Christof Schütte

Understanding real-world dynamical phenomena remains a challenging task. Across various scientific disciplines, machine learning has advanced as the go-to technology to analyze nonlinear dynamical systems, identify patterns in big data, and…

Machine Learning · Computer Science 2022-12-07 Kevin Linka , Amelie Schafer , Xuhui Meng , Zongren Zou , George Em Karniadakis , Ellen Kuhl

Link prediction is an important network science problem in many domains such as social networks, chem/bio-informatics, etc. Most of these networks are dynamic in nature with patterns evolving over time. In such cases, it is necessary to…

Social and Information Networks · Computer Science 2015-09-18 Jeyanthi Narasimhan , Lawrence Holder

Over the last decades, many prognostic models based on artificial intelligence techniques have been used to provide detailed predictions in healthcare. Unfortunately, the real-world observational data used to train and validate these models…

Machine Learning · Computer Science 2023-11-21 Alice Bernasconi , Alessio Zanga , Peter J. F. Lucas , Marco Scutari , Fabio Stella

Our work is motivated by and illustrated with application of association networks in computational biology, specifically in the context of gene/protein regulatory networks. Association networks represent systems of interacting elements,…

Applications · Statistics 2012-05-01 Natallia Katenka , Eric D. Kolaczyk

Networks of biochemical reactions, like cellular metabolic networks, are kept in non-equilibrium steady states by the exchange fluxes connecting them to the environment. In most cases, feasible flux configurations can be derived from…

Molecular Networks · Quantitative Biology 2014-12-01 Daniele De Martino , Fabrizio Capuani , Andrea De Martino

Network inference, the task of reconstructing interactions in a complex system from experimental observables, is a central yet extremely challenging problem in systems biology. While much progress has been made in the last two decades,…

Quantitative Methods · Quantitative Biology 2024-09-12 Stephen Y Zhang

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

Bayesian networks can be used to extract explanations about the observed state of a subset of variables. In this paper, we explicate the desiderata of an explanation and confront them with the concept of explanation proposed by existing…

Artificial Intelligence · Computer Science 2012-06-18 Ulf Nielsen , Jean-Philippe Pellet , André Elisseeff