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The goal of this paper is to gather and develop some necessary and sufficient criteria for injectivity and multistationarity in vector fields associated with a chemical reaction network under a variety of more or less general assumptions on…

Dynamical Systems · Mathematics 2016-10-28 Murad Banaji , Casian Pantea

Computational techniques are required for narrowing down the vast space of possibilities to plausible prebiotic scenarios, since precise information on the molecular composition, the dominant reaction chemistry, and the conditions for that…

Molecular Networks · Quantitative Biology 2018-02-07 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

This paper is part of a study whose goal is to show the effciency of using Bayes networks to carry out model based vision calculations. [Binford et al. 1987] Recognition proceeds by drawing up a network model from the object's geometric and…

Artificial Intelligence · Computer Science 2013-04-10 John Mark Agosta

Deep neural networks have achieved impressive results on a wide variety of tasks. However, quantifying uncertainty in the network's output is a challenging task. Bayesian models offer a mathematical framework to reason about model…

Machine Learning · Computer Science 2019-05-28 Manikanta Srikar Yellapragada , Chandra Prakash Konkimalla

Interpreting neural networks is a crucial and challenging task in machine learning. In this paper, we develop a novel framework for detecting statistical interactions captured by a feedforward multilayer neural network by directly…

Machine Learning · Statistics 2018-02-28 Michael Tsang , Dehua Cheng , Yan Liu

The irreducible complexity of natural phenomena has led Graph Neural Networks to be employed as a standard model to perform representation learning tasks on graph-structured data. While their capacity to capture local and global patterns is…

Machine Learning · Computer Science 2024-02-13 Lorenzo Giusti

Many biochemical and industrial applications involve complicated networks of simultaneously occurring chemical reactions. Under the assumption of mass action kinetics, the dynamics of these chemical reaction networks are governed by systems…

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

Bayesian neural networks (BNNs) have recently regained a significant amount of attention in the deep learning community due to the development of scalable approximate Bayesian inference techniques. There are several advantages of using…

Machine Learning · Statistics 2019-05-28 Aliaksandr Hubin , Geir Storvik

The modern thermodynamics of discrete systems is based on graph theory, which provides both algebraic methods to define observables and a geometric intuition of their meaning and role. However, because chemical reactions are usually…

Statistical Mechanics · Physics 2023-04-04 Sara Dal Cengio , Vivien Lecomte , Matteo Polettini

We consider the problem of identifying the topology of a weighted, undirected network $\mathcal G$ from observing snapshots of multiple independent consensus dynamics. Specifically, we observe the opinion profiles of a group of agents for a…

Social and Information Networks · Computer Science 2019-02-12 Santiago Segarra , Michael T. Schaub , Ali Jadbabaie

We present an elaborate framework for formally modelling pathways in chemical reaction networks on a mechanistic level. Networks are modelled mathematically as directed multi-hypergraphs, with vertices corresponding to molecules and…

Molecular Networks · Quantitative Biology 2017-12-08 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

Basic principles of statistical inference are commonly violated in network data analysis. Under the current approach, it is often impossible to identify a model that accommodates known empirical behaviors, possesses crucial inferential…

Statistics Theory · Mathematics 2017-01-02 Harry Crane , Walter Dempsey

Mechanisms of pattern formation---of which the Turing instability is an archetype---constitute an important class of dynamical processes occurring in biological, ecological and chemical systems. Recently, it has been shown that the Turing…

Disordered Systems and Neural Networks · Physics 2019-06-19 Sayat Mimar , Mariamo Mussa Juane , Juyong Park , Alberto P. Munuzuri , Gourab Ghoshal

Hierarchical Bayesian models are increasingly used in large, inhomogeneous complex network dynamical systems by modeling parameters as draws from a hyperparameter-governed distribution. However, theoretical guarantees for these estimates as…

Statistics Theory · Mathematics 2026-01-23 Yi Yu , Yubo Hou , Yinchong Wang , Nan Zhang , Jianfeng Feng , Wenlian Lu

Exponential random graph models (ERGMs) are a widely used framework for network data, enabling hypothesis testing on the structural mechanisms underlying observed networks. Bayesian ERGMs provide principled uncertainty quantification and…

Methodology · Statistics 2026-05-26 Alberto Caimo , Isabella Gollini

In recent times, neural networks have become a powerful tool for the analysis of complex and abstract data models. However, their introduction intrinsically increases our uncertainty about which features of the analysis are model-related…

Machine Learning · Statistics 2020-11-09 Tom Charnock , Laurence Perreault-Levasseur , François Lanusse

Deep directed generative models have attracted much attention recently due to their generative modeling nature and powerful data representation ability. In this paper, we review different structures of deep directed generative models and…

Machine Learning · Computer Science 2017-10-16 Siqi Nie , Meng Zheng , Qiang Ji

We consider the goal of predicting how complex networks respond to chronic (press) perturbations when characterizations of their network topology and interaction strengths are associated with uncertainty. Our primary result is the…

Populations and Evolution · Quantitative Biology 2016-10-26 David Koslicki , Mark Novak

Nonlinear dynamic models are widely used for characterizing functional forms of processes that govern complex biological pathway systems. Over the past decade, validation and further development of these models became possible due to data…

Methodology · Statistics 2019-08-13 Itai Dattner , Shota Gugushvili , Harold Ship , Eberhard O. Voit

For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These…

Chemical Physics · Physics 2019-05-24 Gregor N. Simm , Alain C. Vaucher , Markus Reiher
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