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Databases of gas and surface chemical reactions are a key tool for scientists working in a wide range of physical sciences. In Astrochemistry, databases of chemical reactions are used as inputs to chemical models to determine the abundances…

星系天体物理 · 物理学 2021-01-14 Serena Viti , Jonathan Holdship

This paper looks at the task of network topology inference, where the goal is to learn an unknown graph from nodal observations. One of the novelties of the approach put forth is the consideration of prior information about the density of…

信号处理 · 电气工程与系统科学 2022-07-12 Samuel Rey , T. Mitchell Roddenberry , Santiago Segarra , Antonio G. Marques

Mechanistic models can provide an intuitive and interpretable explanation of network growth by specifying a set of generative rules. These rules can be defined by domain knowledge about real-world mechanisms governing network growth or may…

社会与信息网络 · 计算机科学 2025-12-04 Maxwell H Wang , Till Hoffmann , Jukka-Pekka Onnela

Spatio-temporal biochemical signaling in a large class of protein-protein interaction networks is well modeled by a reaction-diffusion system. The global existence of the solution to the reaction-diffusion system is determined by the…

最优化与控制 · 数学 2013-08-09 Insoon Yang , Claire J. Tomlin

We discuss a method of approximate model reduction for networks of biochemical reactions. This method can be applied to networks with polynomial or rational reaction rates and whose parameters are given by their orders of magnitude. In…

分子网络 · 定量生物学 2015-05-27 Ovidiu Radulescu , Sergei Vakulenko , Dima Grigoriev

Machine learning provides algorithms that can learn from data and make inferences or predictions on data. Bayesian networks are a class of graphical models that allow to represent a collection of random variables and their condititional…

人工智能 · 计算机科学 2019-01-08 Robert Leppert , Karl-Heinz Zimmermann

Surfaces serve as highly efficient catalysts for a vast variety of chemical reactions. Typically, such surface reactions involve billions of molecules which diffuse and react over macroscopic areas. Therefore, stochastic fluctuations are…

统计力学 · 物理学 2007-10-12 B. Barzel , O. Biham

The large-scale properties of chemical reaction systems, such as the metabolism, can be studied with graph-based methods. To do this, one needs to reduce the information -- lists of chemical reactions -- available in databases. Even for the…

分子网络 · 定量生物学 2009-09-25 Petter Holme

Transcriptomic data is a treasure-trove in modern molecular biology, as it offers a comprehensive viewpoint into the intricate nuances of gene expression dynamics underlying biological systems. This genetic information must be utilised to…

分子网络 · 定量生物学 2023-12-13 Vikram Singh , Vikram Singh

This paper develops the concept of decomposition for chemical reaction networks, based on which a network decomposition technique is proposed to capture the stability of large-scale networks characterized by a high number of species, high…

动力系统 · 数学 2021-02-23 Yafei Lu , Chuanhou Gao , Denis Dochain

In living cells, chemical reactions form a complex network. Complicated dynamics arising from such networks are the origins of biological functions. We propose a novel mathematical method to analyze bifurcation behaviors of a reaction…

分子网络 · 定量生物学 2018-08-08 Takashi Okada , Je-Chiang Tsai , Atsushi Mochizuki

Partial measurements of biochemical reaction networks are ubiquitous and limit our ability to reconstruct the topology of the reaction network and the strength of the interactions amongst both the observed and the unobserved molecular…

生物物理 · 物理学 2023-10-19 Moshir Harsh , Leonhard Götz Vulpius , Peter Sollich

In this paper, we propose a new method to identify biochemical reaction networks (i.e. both reactions and kinetic parameters) from heterogeneous datasets. Such datasets can contain (a) data from several replicates of an experiment performed…

系统与控制 · 计算机科学 2015-09-21 Wei Pan , Ye Yuan , Lennart Ljung , Jorge Goncalves , Guy-Bart Stan

Graphical models are widely used to make inferences concerning interplay in multivariate systems. In many applications, data are collected from multiple related but nonidentical units whose underlying networks may differ but are likely to…

统计方法学 · 统计学 2014-12-04 Chris J. Oates , Jim Korkola , Joe W. Gray , Sach Mukherjee

In networks of dynamic systems, one challenge is to identify the interconnection structure on the basis of measured signals. Inspired by a Bayesian approach in [1], in this paper, we explore a Bayesian model selection method for identifying…

系统与控制 · 计算机科学 2019-03-18 Shengling Shi , Giulio Bottegal , Paul M. J. Van den Hof

Networks of reactions on dust grain surfaces play a crucial role in the chemistry of interstellar clouds, leading to the formation of molecular hydrogen in diffuse clouds as well as various organic molecules in dense molecular clouds. Due…

天体物理学 · 物理学 2010-11-05 B. Barzel , O. Biham

The modern era always looks into advancements in technology. Design and topology of interconnection networks play a mutual role in development of technology. Analysing the topological properties and characteristics of an interconnection…

网络与互联网体系结构 · 计算机科学 2024-11-08 Parvez Ali , Annmaria Baby , D. Antony Xavier , Eddith Sarah Varghese , Theertha Nair A. , Haidar Ali

Reaction networks in the bulk and on surfaces are widespread in physical, chemical and biological systems. In macroscopic systems, which include large populations of reactive species, stochastic fluctuations are negligible and the reaction…

统计力学 · 物理学 2007-10-12 Baruch Barzel , Ofer Biham , Raz Kupferman

Network inference is the process of deciding what is the true unknown graph underlying a set of interactions between nodes. There is a vast literature on the subject, but most known methods have an important drawback: the inferred graph is…

社会与信息网络 · 计算机科学 2023-02-03 Effrosyni Papanastasiou , Anastasios Giovanidis

The Bayesian neural network (BNN) method is used to construct a predictive model for fragment prediction of proton induced spallation reactions with the guidance of a simplified EPAX formula. Compared to the experimental data, it is found…