Generalization of neural network models for complex network dynamics

Abstract Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph. Data-driven approximations of differential equations present a promising alternative to traditional methods for uncoveri...

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Main Authors: Vaiva Vasiliauskaite, Nino Antulov-Fantulin
Format: Article
Language:English
Published: Nature Portfolio 2024-10-01
Series:Communications Physics
Online Access:https://doi.org/10.1038/s42005-024-01837-w
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author Vaiva Vasiliauskaite
Nino Antulov-Fantulin
author_facet Vaiva Vasiliauskaite
Nino Antulov-Fantulin
author_sort Vaiva Vasiliauskaite
collection DOAJ
description Abstract Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph. Data-driven approximations of differential equations present a promising alternative to traditional methods for uncovering a model of dynamical systems, especially in complex systems that lack explicit first principles. A recently employed machine learning tool for studying dynamics is neural networks, which can be used for solution finding or discovery of differential equations. However, deploying deep learning models in unfamiliar settings-such as predicting dynamics in unobserved state space regions or on novel graphs-can lead to spurious results. Focusing on complex systems whose dynamics are described with a system of first-order differential equations coupled through a graph, we study generalization of neural network predictions in settings where statistical properties of test data and training data are different. We find that neural networks can accurately predict dynamics beyond the immediate training setting within the domain of the training data. To identify when a model is unable to generalize to novel settings, we propose a statistical significance test.
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spelling doaj-art-3746a5815cfa455093589e1e0712fe9b2025-01-12T12:26:45ZengNature PortfolioCommunications Physics2399-36502024-10-017111010.1038/s42005-024-01837-wGeneralization of neural network models for complex network dynamicsVaiva Vasiliauskaite0Nino Antulov-Fantulin1Computational Social Science, ETH ZürichComputational Social Science, ETH ZürichAbstract Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph. Data-driven approximations of differential equations present a promising alternative to traditional methods for uncovering a model of dynamical systems, especially in complex systems that lack explicit first principles. A recently employed machine learning tool for studying dynamics is neural networks, which can be used for solution finding or discovery of differential equations. However, deploying deep learning models in unfamiliar settings-such as predicting dynamics in unobserved state space regions or on novel graphs-can lead to spurious results. Focusing on complex systems whose dynamics are described with a system of first-order differential equations coupled through a graph, we study generalization of neural network predictions in settings where statistical properties of test data and training data are different. We find that neural networks can accurately predict dynamics beyond the immediate training setting within the domain of the training data. To identify when a model is unable to generalize to novel settings, we propose a statistical significance test.https://doi.org/10.1038/s42005-024-01837-w
spellingShingle Vaiva Vasiliauskaite
Nino Antulov-Fantulin
Generalization of neural network models for complex network dynamics
Communications Physics
title Generalization of neural network models for complex network dynamics
title_full Generalization of neural network models for complex network dynamics
title_fullStr Generalization of neural network models for complex network dynamics
title_full_unstemmed Generalization of neural network models for complex network dynamics
title_short Generalization of neural network models for complex network dynamics
title_sort generalization of neural network models for complex network dynamics
url https://doi.org/10.1038/s42005-024-01837-w
work_keys_str_mv AT vaivavasiliauskaite generalizationofneuralnetworkmodelsforcomplexnetworkdynamics
AT ninoantulovfantulin generalizationofneuralnetworkmodelsforcomplexnetworkdynamics