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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…

Neural and Evolutionary Computing · Computer Science 2019-09-06 Sam Greydanus , Misko Dzamba , Jason Yosinski

The integration of physics-based knowledge with machine learning models is increasingly shaping the monitoring, diagnostics, and prognostics of electrical transformers. In this two-part series, the first paper introduced the foundations of…

Machine Learning · Computer Science 2025-12-30 Jose I. Aizpurua

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…

Machine Learning · Computer Science 2020-09-15 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan S Read , Jacob A Zwart , Michael Steinbach , Vipin Kumar

The fundamental laws of physics are intrinsically geometric, dictating the evolution of systems through principles of symmetry and conservation. While modern machine learning offers powerful tools for modeling complex dynamics from data,…

Machine Learning · Computer Science 2025-07-22 Amine Mohamed Aboussalah , Abdessalam Ed-dib

Attempts to apply Neural Networks (NN) to a wide range of research problems have been ubiquitous and plentiful in recent literature. Particularly, the use of deep NNs for understanding complex physical and chemical phenomena has opened a…

Machine Learning · Computer Science 2021-12-01 Arijit Sehanobish , Hector H. Corzo , Onur Kara , David van Dijk

Machine learning (ML) is redefining what is possible in data-intensive fields of science and engineering. However, applying ML to problems in the physical sciences comes with a unique set of challenges: scientists want physically…

Computational Physics · Physics 2020-07-06 Kathleen Champion , Peng Zheng , Aleksandr Y. Aravkin , Steven L. Brunton , J. Nathan Kutz

Understanding complex systems with their reduced model is one of the central roles in scientific activities. Although physics has greatly been developed with the physical insights of physicists, it is sometimes challenging to build a…

Data Analysis, Statistics and Probability · Physics 2021-03-24 Yoh-ichi Mototake

We investigate how neural networks (NNs) understand physics using 1D quantum mechanics. After training an NN to accurately predict energy eigenvalues from potentials, we used it to confirm the NN's understanding of physics from four…

Computational Physics · Physics 2022-11-09 Kenzo Ogure

This paper introduces a framework for combining scientific knowledge of physics-based models with neural networks to advance scientific discovery. This framework, termed physics-guided neural networks (PGNN), leverages the output of…

Machine Learning · Computer Science 2021-09-29 Arka Daw , Anuj Karpatne , William Watkins , Jordan Read , Vipin Kumar

Accurate models of the world are built upon notions of its underlying symmetries. In physics, these symmetries correspond to conservation laws, such as for energy and momentum. Yet even though neural network models see increasing use in the…

Machine Learning · Computer Science 2020-07-31 Miles Cranmer , Sam Greydanus , Stephan Hoyer , Peter Battaglia , David Spergel , Shirley Ho

We numerically show that a deep neural network (DNN) can learn macroscopic thermodynamic laws purely from microscopic data. Using molecular dynamics simulations, we generate the data of snapshot images of gas particles undergoing adiabatic…

Statistical Mechanics · Physics 2025-11-21 Hiroto Kuroyanagi , Tatsuro Yuge

This paper investigates the use of probabilistic neural networks (PNNs) to model aleatoric uncertainty, which refers to the inherent variability in the input-output relationships of a system, often characterized by unequal variance or…

Machine Learning · Statistics 2024-02-22 Farhad Pourkamali-Anaraki , Jamal F. Husseini , Scott E. Stapleton

We propose a self-supervised physics-informed neural network (PINN) framework that adaptively balances physics-based and data-driven supervision for scientific machine learning under data scarcity. Unlike prior PINNs that rely on fixed or…

Machine Learning · Computer Science 2026-05-08 Reza Pirayeshshirazinezhad

Understanding natural symmetries is key to making sense of our complex and ever-changing world. Recent work has shown that neural networks can learn such symmetries directly from data using Hamiltonian Neural Networks (HNNs). But HNNs…

Machine Learning · Computer Science 2022-01-27 Andrew Sosanya , Sam Greydanus

Physics-informed neural networks (PINNs) have emerged as a promising approach to solving partial differential equations (PDEs) using neural networks, particularly in data-scarce scenarios, due to their unsupervised training capability.…

Machine Learning · Computer Science 2025-03-25 Edgar Torres , Jonathan Schiefer , Mathias Niepert

A significant advancement in Neural Network (NN) research is the integration of domain-specific knowledge through custom loss functions. This approach addresses a crucial challenge: how can models utilize physics or mathematical principles…

Machine Learning · Computer Science 2025-03-27 Seyedeh Azadeh Fallah Mortezanejad , Ruochen Wang , Ali Mohammad-Djafari

Neural networks are a central technique in machine learning. Recent years have seen a wave of interest in applying neural networks to physical systems for which the governing dynamics are known and expressed through differential equations.…

Computational Physics · Physics 2020-01-31 M. Mattheakis , P. Protopapas , D. Sondak , M. Di Giovanni , E. Kaxiras

Neural networks (NNs) accelerate simulations of quantum dissipative dynamics. Ensuring that these simulations adhere to fundamental physical laws is crucial, but has been largely ignored in the state-of-the-art NN approaches. We show that…

Chemical Physics · Physics 2024-09-06 Arif Ullah , Yu Huang , Ming Yang , Pavlo O. Dral

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…

Computational Physics · Physics 2019-02-01 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan Read , Jacob Zwart , Michael Steinbach , Vipin Kumar

Neural networks (NN) have achieved state-of-the-art performance in various applications. Unfortunately in applications where training data is insufficient, they are often prone to overfitting. One effective way to alleviate this problem is…

Machine Learning · Computer Science 2016-11-03 Hao Wang , Xingjian Shi , Dit-Yan Yeung
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