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Simulation-Grounded Neural Networks (SGNNs) are predictive models trained entirely on synthetic data from mechanistic simulations. They have achieved state-of-the-art performance in domains where real-world labels are limited or unobserved,…

Machine Learning · Computer Science 2025-10-03 Carson Dudley , Marisa Eisenberg

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

Substitution of well-grounded theoretical models by data-driven predictions is not as simple in engineering and sciences as it is in social and economic fields. Scientific problems suffer most times from paucity of data, while they may…

Machine Learning · Computer Science 2020-11-18 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose Antonio Sanz-Herrera , Manuel Doblaré

In an era where symbolic mathematical equations are indispensable for modeling complex natural phenomena, scientific inquiry often involves collecting observations and translating them into mathematical expressions. Recently, deep learning…

Machine Learning · Computer Science 2024-03-18 Kazem Meidani , Parshin Shojaee , Chandan K. Reddy , Amir Barati Farimani

Recent breakthroughs in computing power have made it feasible to use machine learning and deep learning to advance scientific computing in many fields, including fluid mechanics, solid mechanics, materials science, etc. Neural networks, in…

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

We develop Structured-Knowledge-Informed Neural Networks (SKINNs), a unified estimation framework that embeds theoretical, simulated, previously learned, or cross-domain insights as differentiable constraints within flexible neural function…

Machine Learning · Statistics 2026-04-02 Yi Cao , Zexun Chen , Lin William Cong , Heqing Shi

Neural networks adapt very well to distributed and continuous representations, but struggle to generalize from small amounts of data. Symbolic systems commonly achieve data efficient generalization by exploiting modularity to benefit from…

Neural and Evolutionary Computing · Computer Science 2023-03-15 Eli Whitehouse

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

We propose Scalable Mechanistic Neural Network (S-MNN), an enhanced neural network framework designed for scientific machine learning applications involving long temporal sequences. By reformulating the original Mechanistic Neural Network…

Machine Learning · Computer Science 2026-05-15 Jiale Chen , Dingling Yao , Adeel Pervez , Dan Alistarh , Francesco Locatello

Estimating the parameters of a model describing a set of observations using a neural network is in general solved in a supervised way. In cases when we do not have access to the model's true parameters this approach can not be applied.…

Astrophysics of Galaxies · Physics 2020-09-30 Miguel A. Aragon-Calvo

Signal processing, communications, and control have traditionally relied on classical statistical modeling techniques. Such model-based methods utilize mathematical formulations that represent the underlying physics, prior information and…

Signal Processing · Electrical Eng. & Systems 2022-09-13 Nir Shlezinger , Jay Whang , Yonina C. Eldar , Alexandros G. Dimakis

interpretable, and well understood models that are routinely employed even though, as is revealed through prior and posterior predictive checks, these can poorly characterise the spatial heterogeneity in the underlying process of interest.…

Machine Learning · Statistics 2024-04-08 Andrew Zammit-Mangion , Michael D. Kaminski , Ba-Hien Tran , Maurizio Filippone , Noel Cressie

Physics-constrained neural networks are commonly employed to enhance prediction robustness compared to purely data-driven models, achieved through the inclusion of physical constraint losses during the model training process. However, one…

Machine Learning · Computer Science 2024-02-06 Hao Zhou , Sibo Cheng , Rossella Arcucci

Scientific machine learning (SciML) increasingly requires models that capture multimodal conditional uncertainty arising from ill-posed inverse problems, multistability, and chaotic dynamics. While recent work has favored highly expressive…

Machine Learning · Computer Science 2026-02-03 Leonardo Ferreira Guilhoto , Akshat Kaushal , Paris Perdikaris

Large-scale numerical simulations are used across many scientific disciplines to facilitate experimental development and provide insights into underlying physical processes, but they come with a significant computational cost. Deep neural…

Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently, have many limitations which could arise either due to the…

Machine Learning · Computer Science 2019-11-12 Nikhil Muralidhar , Jie Bu , Ze Cao , Long He , Naren Ramakrishnan , Danesh Tafti , Anuj Karpatne

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our…

Machine Learning · Computer Science 2020-09-15 Alvaro Sanchez-Gonzalez , Jonathan Godwin , Tobias Pfaff , Rex Ying , Jure Leskovec , Peter W. Battaglia

Understanding real-world dynamical phenomena remains a challenging task. Across various scientific disciplines, machine learning has advanced as the go-to technology to analyze nonlinear dynamical systems, identify patterns in big data, and…

Machine Learning · Computer Science 2022-12-07 Kevin Linka , Amelie Schafer , Xuhui Meng , Zongren Zou , George Em Karniadakis , Ellen Kuhl

Ocean current, fluid mechanics, and many other spatio-temporal physical dynamical systems are essential components of the universe. One key characteristic of such systems is that certain physics laws -- represented as ordinary/partial…

Machine Learning · Computer Science 2021-08-16 Yu Huang , James Li , Min Shi , Hanqi Zhuang , Xingquan Zhu , Laurent Chérubin , James VanZwieten , Yufei Tang
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