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Thermodynamics-informed neural networks employ inductive biases for the enforcement of the first and second principles of thermodynamics. To construct these biases, a metriplectic evolution of the system is assumed. This provides excellent…

机器学习 · 计算机科学 2025-01-22 Alicia Tierz , Iciar Alfaro , David González , Francisco Chinesta , Elías Cueto

Physics-informed neural network architectures have emerged as a powerful tool for developing flexible PDE solvers which easily assimilate data, but face challenges related to the PDE discretization underpinning them. By instead adapting a…

We develop inductive biases for the machine learning of complex physical systems based on the port-Hamiltonian formalism. To satisfy by construction the principles of thermodynamics in the learned physics (conservation of energy,…

机器学习 · 计算机科学 2023-03-28 Quercus Hernández , Alberto Badías , Francisco Chinesta , Elías Cueto

We propose the GENERIC formalism informed neural networks (GFINNs) that obey the symmetric degeneracy conditions of the GENERIC formalism. GFINNs comprise two modules, each of which contains two components. We model each component using a…

动力系统 · 数学 2022-07-13 Zhen Zhang , Yeonjong Shin , George Em Karniadakis

Form a pure mathematical point of view, common functional forms representing different physical phenomena can be defined. For example, rates of chemical reactions, diffusion and heat transfer are all governed by exponential-type…

机器学习 · 计算机科学 2019-10-01 Navid Zobeiry , Keith D. Humfeld

This paper proposes a physics-guided recurrent neural network model (PGRNN) that combines RNNs and physics-based models to leverage their complementary strengths and improve the modeling of physical processes. Specifically, we show that a…

Physics-informed neural networks (PINNs) offer a unified framework for solving both forward and inverse problems of differential equations, yet their performance and physical consistency strongly depend on how governing laws are…

机器学习 · 计算机科学 2026-03-31 Guojie Li , Liu Hong

The Thermodynamic Formalism provides a rigorous mathematical framework to study quantitative and qualitative aspects of dynamical systems. At its core there is a variational principle corresponding, in its simplest form, to the Maximum…

神经元与认知 · 定量生物学 2020-12-30 Rodrigo Cofré , Cesar Maldonado , Bruno Cessac

Voltage prediction in distribution grids is a critical yet difficult task for maintaining power system stability. Machine learning approaches, particularly Graph Neural Networks (GNNs), offer significant speedups but suffer from poor…

机器学习 · 计算机科学 2025-12-09 Ehimare Okoyomon , Arbel Yaniv , Christoph Goebel

Equations of State model relations between thermodynamic variables and are ubiquitous in scientific modelling, appearing in modern day applications ranging from Astrophysics to Climate Science. The three desired properties of a general…

Conservation of energy is at the core of many physical phenomena and dynamical systems. There have been a significant number of works in the past few years aimed at predicting the trajectory of motion of dynamical systems using neural…

机器学习 · 计算机科学 2022-08-05 Yi Heng Lim , Muhammad Firmansyah Kasim

Physics-based models of dynamical systems are often used to study engineering and environmental systems. Despite their extensive use, these models have several well-known limitations due to simplified representations of the physical…

机器学习 · 计算机科学 2020-09-15 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan S Read , Jacob A Zwart , Michael Steinbach , Vipin Kumar

In this paper we present a deep learning method to predict the temporal evolution of dissipative dynamic systems. We propose using both geometric and thermodynamic inductive biases to improve accuracy and generalization of the resulting…

机器学习 · 计算机科学 2022-06-07 Quercus Hernández , Alberto Badías , Francisco Chinesta , Elías Cueto

Physics-inspired neural networks (NNs), such as Hamiltonian or Lagrangian NNs, dramatically outperform other learned dynamics models by leveraging strong inductive biases. These models, however, are challenging to apply to many real world…

机器学习 · 计算机科学 2022-02-15 Nate Gruver , Marc Finzi , Samuel Stanton , Andrew Gordon Wilson

Identifying the dynamics of physical systems requires a machine learning model that can assimilate observational data, but also incorporate the laws of physics. Neural Networks based on physical principles such as the Hamiltonian or…

Even though neural networks enjoy widespread use, they still struggle to learn the basic laws of physics. How might we endow them with better inductive biases? In this paper, we draw inspiration from Hamiltonian mechanics to train models…

神经与进化计算 · 计算机科学 2019-09-06 Sam Greydanus , Misko Dzamba , Jason Yosinski

We present a method to increase the resolution of measurements of a physical system and subsequently predict its time evolution using thermodynamics-aware neural networks. Our method uses adversarial autoencoders, which reduce the…

The rise of generative models for scientific research calls for the development of new methods to evaluate their fidelity. A natural framework for addressing this problem is two-sample hypothesis testing, namely the task of determining…

机器学习 · 统计学 2025-08-05 Samuele Grossi , Marco Letizia , Riccardo Torre

Variational principles are a unifying mathematical framework across many areas of physics, yet their instruction at the undergraduate level remains primarily analytical. This work presents a pedagogically oriented and computationally…

计算物理 · 物理学 2026-01-06 Aman Razdan , Aditya Shankar Mazumdar , Amit Tanwar , Pragati Ashdhir

Recent developments in Machine Learning approaches for modelling physical systems have begun to mirror the past development of numerical methods in the computational sciences. In this survey, we begin by providing an example of this with…

机器学习 · 计算机科学 2023-04-04 Artur P. Toshev , Ludger Paehler , Andrea Panizza , Nikolaus A. Adams
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