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Understanding the complex interactions within dynamic multilayer networks is critical for advancements in various scientific domains. Existing models often fail to capture such networks' temporal and cross-layer dynamics. This paper…

Machine Learning · Statistics 2025-09-26 Tian Lan , Jie Guo , Chen Zhang

Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram generation involves experimentation to provide an initial…

Modern energy systems in vehicles and built infrastructure are governed by high-dimensional dynamics spanning multiple physical domains (e.g., electrical, thermal, mechanical) and timescales. This tutorial paper presents a graph-based…

Seismic tomography is a methodology to image subsurface properties of the Earth. In order to better interpret the resulting images, it is important to assess uncertainty in the results. Mixture density networks (MDNs) provide an efficient…

Geophysics · Physics 2024-12-12 Xin Zhang , Yan Wang , Haijiang Zhang

A central task in many applications is reasoning about processes that change in a continuous time. The mathematical framework of Continuous Time Markov Processes provides the basic foundations for modeling such systems. Recently, Nodelman…

Artificial Intelligence · Computer Science 2012-07-02 Tal El-Hay , Nir Friedman , Daphne Koller , Raz Kupferman

Network-theoretic tools contribute to understanding real-world system dynamics, e.g., in wildlife conservation, epidemics, and power outages. Network visualization helps illustrate structural heterogeneity; however, details about…

Social and Information Networks · Computer Science 2015-09-28 Kehinde R. Salau , Jacopo A. Baggio , Marco A. Janssen , Joshua K. Abbott , Eli P. Fenichel

For multilayer structures, interfacial failure is one of the most important elements related to device reliability. For cohesive zone modelling, traction-separation relations represent the adhesive interactions across interfaces. However,…

Computational Engineering, Finance, and Science · Computer Science 2023-01-02 Congjie Wei , Jiaxin Zhang , Kenneth M. Liechti , Chenglin Wu

The class of recurrent mixture density networks is an important class of probabilistic models used extensively in sequence modeling and sequence-to-sequence mapping applications. In this class of models, the density of a target sequence in…

Machine Learning · Computer Science 2023-04-21 Seyedeh Fatemeh Razavi , Reshad Hosseini , Tina Behzad

The theory of complex networks and of disordered systems is used to study the stability and dynamical properties of a simple model of material flow networks defined on random graphs. In particular we address instabilities that are…

Disordered Systems and Neural Networks · Physics 2009-11-13 Kartik Anand , Tobias Galla

Designing high-performance amorphous alloys is demanding for various applications. But this process intensively relies on empirical laws and unlimited attempts. The high-cost and low-efficiency nature of the traditional strategies prevents…

Materials Science · Physics 2025-11-04 S. -Y. Zhang , J. Tian , S. -L. Liu , H. -M. Zhang , H. -Y. Bai , Y. -C. Hu , W. -H. Wang

In the domain of sequence modelling, Recurrent Neural Networks (RNN) have been capable of achieving impressive results in a variety of application areas including visual question answering, part-of-speech tagging and machine translation.…

Machine Learning · Computer Science 2018-05-22 Tharindu Fernando , Simon Denman , Aaron McFadyen , Sridha Sridharan , Clinton Fookes

Machine-learning-based parameterizations (i.e. representation of sub-grid processes) of global climate models or turbulent simulations have recently been proposed as a powerful alternative to physical, but empirical, representations,…

Machine Learning · Computer Science 2023-09-20 Mohamed Aziz Bhouri , Liran Peng , Michael S. Pritchard , Pierre Gentine

Data-driven models for building thermal dynamics are a scalable approach for enabling energy-efficient operation through fault detection & diagnosis or advanced control. To obtain accurate models, measurement data from a target building…

Systems and Control · Electrical Eng. & Systems 2026-04-21 Felix Koch , Fabian Raisch , Benjamin Tischler

A thermodynamically motivated neural network model is described that self-organizes to transport charge associated with internal and external potentials while in contact with a thermal reservoir. The model integrates techniques for rapid,…

Neurons and Cognition · Quantitative Biology 2020-04-22 Todd Hylton

Dynamic network analysis has found an increasing interest in the literature because of the importance of different kinds of dynamic social networks, biological networks, and economic networks. Most available probability and statistical…

Methodology · Statistics 2017-10-18 Elynn Yi Chen , Rong Chen

We introduce thermodynamic networks, a general framework for autonomous, physics-based computation using non-equilibrium steady states. These networks are modeled as a collection of finite-size reservoirs that exchange conserved…

Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

Machine Learning · Computer Science 2023-10-31 Andi Han , Dai Shi , Lequan Lin , Junbin Gao

We derive the nonequilibrium conductance matrix for open stationary Chemical Reaction Networks (CRNs) described by a deterministic mass action kinetic equation. As an illustration, we determine the nonequilibrium conductance matrix of a CRN…

Statistical Mechanics · Physics 2025-06-27 Paul Raux , Christophe Goupil , Gatien Verley

Transition Metal Complexes (TMCs) have wide-ranging practical utility in chemistry, with possible applications that range from catalysis to medicinal chemistry. The study of TMCs and their properties is thus a field rich with potential, one…

Chemical Physics · Physics 2026-02-10 Luca Cibinel , Trond Linjordet , Johan Pensar , David Balcells , Riccardo De Bin , Basil Ell

Translating metabolic networks into dynamic models is difficult if kinetic constants are unknown. Structural Kinetic Modelling (SKM) replaces reaction elasticities by independent random numbers. Here I propose a variant that accounts for…

Molecular Networks · Quantitative Biology 2022-03-08 Wolfram Liebermeister