Mechanistic Neural Networks for Scientific Machine Learning

Fuente: arXiv
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Auteurs principaux: Pervez, Adeel, Locatello, Francesco, Gavves, Efstratios
Format: Preprint
Publié: 2024
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author Pervez, Adeel
Locatello, Francesco
Gavves, Efstratios
author_facet Pervez, Adeel
Locatello, Francesco
Gavves, Efstratios
contents This paper presents Mechanistic Neural Networks, a neural network design for machine learning applications in the sciences. It incorporates a new Mechanistic Block in standard architectures to explicitly learn governing differential equations as representations, revealing the underlying dynamics of data and enhancing interpretability and efficiency in data modeling. Central to our approach is a novel Relaxed Linear Programming Solver (NeuRLP) inspired by a technique that reduces solving linear ODEs to solving linear programs. This integrates well with neural networks and surpasses the limitations of traditional ODE solvers enabling scalable GPU parallel processing. Overall, Mechanistic Neural Networks demonstrate their versatility for scientific machine learning applications, adeptly managing tasks from equation discovery to dynamic systems modeling. We prove their comprehensive capabilities in analyzing and interpreting complex scientific data across various applications, showing significant performance against specialized state-of-the-art methods.
format Preprint
id arxiv_https___arxiv_org_abs_2402_13077
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Mechanistic Neural Networks for Scientific Machine Learning
Pervez, Adeel
Locatello, Francesco
Gavves, Efstratios
Machine Learning
Artificial Intelligence
Neural and Evolutionary Computing
This paper presents Mechanistic Neural Networks, a neural network design for machine learning applications in the sciences. It incorporates a new Mechanistic Block in standard architectures to explicitly learn governing differential equations as representations, revealing the underlying dynamics of data and enhancing interpretability and efficiency in data modeling. Central to our approach is a novel Relaxed Linear Programming Solver (NeuRLP) inspired by a technique that reduces solving linear ODEs to solving linear programs. This integrates well with neural networks and surpasses the limitations of traditional ODE solvers enabling scalable GPU parallel processing. Overall, Mechanistic Neural Networks demonstrate their versatility for scientific machine learning applications, adeptly managing tasks from equation discovery to dynamic systems modeling. We prove their comprehensive capabilities in analyzing and interpreting complex scientific data across various applications, showing significant performance against specialized state-of-the-art methods.
title Mechanistic Neural Networks for Scientific Machine Learning
topic Machine Learning
Artificial Intelligence
Neural and Evolutionary Computing
url https://arxiv.org/abs/2402.13077