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We present a novel learning framework that consistently embeds underlying physics while bypassing a significant drawback of most modern, data-driven coarse-grained approaches in the context of molecular dynamics (MD), i.e., the availability…

Machine Learning · Computer Science 2020-02-25 Markus Schöberl , Nicholas Zabaras , Phaedon-Stelios Koutsourelakis

In this paper, we introduce a novel framework for combining scientific knowledge within physics-based models and recurrent neural networks to advance scientific discovery in many dynamical systems. We will first describe the use of outputs…

Machine Learning · Computer Science 2018-10-09 Xiaowei Jia , Anuj Karpatne , Jared Willard , Michael Steinbach , Jordan Read , Paul C Hanson , Hilary A Dugan , Vipin Kumar

We present a differentiable formalism for learning free energies that is capable of capturing arbitrarily complex model dependencies on coarse-grained coordinates and finite-temperature response to variation of general system parameters.…

Computational Physics · Physics 2024-05-31 Blake R. Duschatko , Xiang Fu , Cameron Owen , Yu Xie , Albert Musaelian , Tommi Jaakkola , Boris Kozinsky

When the dynamical data of a system only convey dynamic information over a limited operating range, the identification of models with good performance over a wider operating range is very unlikely. Nevertheless, models with such…

Systems and Control · Electrical Eng. & Systems 2020-09-07 Leandro Freitas , Bruno H. G. Barbosa , Luis A. Aguirre

Data-driven prediction of fluid flow and temperature distribution in marine and aerospace engineering has received extensive research and demonstrated its potential in real-time prediction recently. However, usually large amounts of…

Fluid Dynamics · Physics 2023-08-02 Yanfang Lyu , Xiaoyu Zhao , Zhiqiang Gong , Xiao Kang , Wen Yao

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai

While deep learning has shown tremendous success in a wide range of domains, it remains a grand challenge to incorporate physical principles in a systematic manner to the design, training, and inference of such models. In this paper, we aim…

Computational Physics · Physics 2020-06-16 Rui Wang , Karthik Kashinath , Mustafa Mustafa , Adrian Albert , Rose Yu

Simulating and predicting multiscale problems that couple multiple physics and dynamics across many orders of spatiotemporal scales is a great challenge that has not been investigated systematically by deep neural networks (DNNs). Herein,…

Computational Physics · Physics 2021-03-31 Chensen Lin , Zhen Li , Lu Lu , Shengze Cai , Martin Maxey , George Em Karniadakis

Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and…

Machine Learning · Computer Science 2025-12-01 Rio Alexa Fear , Payel Mukhopadhyay , Michael McCabe , Alberto Bietti , Miles Cranmer

We present a novel method for guaranteeing linear momentum in learned physics simulations. Unlike existing methods, we enforce conservation of momentum with a hard constraint, which we realize via antisymmetrical continuous convolutional…

Machine Learning · Computer Science 2022-11-03 Lukas Prantl , Benjamin Ummenhofer , Vladlen Koltun , Nils Thuerey

Deep learning is revolutionizing weather forecasting, with new data-driven models achieving accuracy on par with operational physical models for medium-term predictions. However, these models often lack interpretability, making their…

Machine Learning · Computer Science 2024-09-11 David Millard , Arielle Carr , Stéphane Gaudreault

Nowadays, interest in combining mathematical knowledge about phenomena and data from the physical system is growing. Past research was devoted to developing so-called high-fidelity models, intending to make them able to catch most of the…

Numerical Analysis · Mathematics 2025-02-20 Stefano Riva , Carolina Introini , Antonio Cammi

Ground settlement prediction during the process of mechanized tunneling is of paramount importance and remains a challenging research topic. Typically, two paradigms are existing: a physics-driven approach utilizing process-oriented…

Computational Engineering, Finance, and Science · Computer Science 2025-08-07 Chen Xu , Ba Trung Cao , Yong Yuan , Günther Meschke

We propose a novel differentiable physics engine for system identification of complex spring-rod assemblies. Unlike black-box data-driven methods for learning the evolution of a dynamical system and its parameters, we modularize the design…

Robotics · Computer Science 2020-04-30 Kun Wang , Mridul Aanjaneya , Kostas Bekris

Deep neural operators are recognized as an effective tool for learning solution operators of complex partial differential equations (PDEs). As compared to laborious analytical and computational tools, a single neural operator can predict…

Machine Learning · Statistics 2023-02-14 Navaneeth N , Tapas Tripura , Souvik Chakraborty

The internal state of a dynamical system, a set of variables that defines its evolving configuration, is often hidden and cannot be fully measured, posing a central challenge for real-time monitoring and control. While observers are…

Systems and Control · Electrical Eng. & Systems 2025-12-09 Yuan Zhang , Ziyuan Luo , Wenxuan Xu , Jiayu Wu , Wenqi Cao , Ranbo Cheng , Tingting Qin , Yuanqing Xia , Mohamed Darouach , Aming Li , Tyrone Fernando

Identifying governing equations for a dynamical system is a topic of critical interest across an array of disciplines, from mathematics to engineering to biology. Machine learning -- specifically deep learning -- techniques have shown their…

Dynamical Systems · Mathematics 2026-05-07 Nibodh Boddupalli , Timothy Matchen , Jeff Moehlis

Avoiding over-pressurization in subsurface reservoirs is critical for applications like CO2 sequestration and wastewater injection. Managing the pressures by controlling injection/extraction are challenging because of complex heterogeneity…

Computational Physics · Physics 2022-06-23 Aleksandra Pachalieva , Daniel O'Malley , Dylan Robert Harp , Hari Viswanathan

Data-driven learning of partial differential equations' solution operators has recently emerged as a promising paradigm for approximating the underlying solutions. The solution operators are usually parameterized by deep learning models…

Machine Learning · Computer Science 2023-05-01 Zijie Li , Kazem Meidani , Amir Barati Farimani

This paper introduces an innovative physics-informed deep learning framework for metamodeling of nonlinear structural systems with scarce data. The basic concept is to incorporate physics knowledge (e.g., laws of physics, scientific…

Computational Engineering, Finance, and Science · Computer Science 2020-07-15 Ruiyang Zhang , Yang Liu , Hao Sun
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