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Surrogate models are often used as computationally efficient approximations to complex simulation models, enabling tasks such as solving inverse problems, sensitivity analysis, and probabilistic forward predictions, which would otherwise be…

Machine Learning · Statistics 2026-05-13 Philipp Reiser , Paul-Christian Bürkner , Anneli Guthke

In the quest for advanced propulsion and power-generation systems, high-fidelity simulations are too computationally expensive to survey the desired design space, and a new design methodology is needed that combines engineering physics,…

Long-term fluid dynamics forecasting is a critically important problem in science and engineering. While neural operators have emerged as a promising paradigm for modeling systems governed by partial differential equations (PDEs), they…

Machine Learning · Computer Science 2026-03-31 Huanshuo Dong , Hao Wu , Hong Wang , Qin-Yi Zhang , Zhezheng Hao

Modeling complex spatiotemporal dynamics, particularly in far-from-equilibrium systems, remains a grand challenge in science. The governing partial differential equations (PDEs) for these systems are often intractable to derive from first…

Machine Learning · Computer Science 2026-01-26 Xizhe Wang , Xiaobin Song , Qingshan Jia , Hao Sun , Hongbo Zhao , Benben Jiang

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

Numerically solving a large parametric nonlinear dynamical system is challenging due to its high complexity and the high computational costs. In recent years, machine-learning-aided surrogates are being actively researched. However, many…

Machine Learning · Computer Science 2024-10-18 Shuwen Sun , Lihong Feng , Peter Benner

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

This work aims to improve fuel chamber injectors' performance in turbofan engines, thus implying improved performance and reduction of pollutants. This requires the development of models that allow real-time prediction and improvement of…

Machine Learning · Computer Science 2023-06-21 León Mata , Rodrigo Abadía-Heredia , Manuel Lopez-Martin , José M. Pérez , Soledad Le Clainche

Modelling complex multiphysics systems governed by nonlinear and strongly coupled partial differential equations (PDEs) is a cornerstone in computational science and engineering. However, it remains a formidable challenge for traditional…

Machine Learning · Computer Science 2025-02-28 Biao Yuan , He Wang , Yanjie Song , Ana Heitor , Xiaohui Chen

Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…

Quantitative Methods · Quantitative Biology 2015-10-05 Christian A. Yates , Mark B. Flegg

Approximating nonlinear differential equations using a neural network provides a robust and efficient tool for various scientific computing tasks, including real-time predictions, inverse problems, optimal controls, and surrogate modeling.…

Machine Learning · Computer Science 2023-10-02 Yuxuan Liu , Zecheng Zhang , Hayden Schaeffer

Though robot learning is often formulated in terms of discrete-time Markov decision processes (MDPs), physical robots require near-continuous multiscale feedback control. Machines operate on multiple asynchronous sensing modalities, each…

Robotics · Computer Science 2022-03-17 Sumeet Singh , Francis McCann Ramirez , Jacob Varley , Andy Zeng , Vikas Sindhwani

Stochastic Differential Equations (SDEs) serve as a powerful modeling tool in various scientific domains, including systems science, engineering, and ecological science. While the specific form of SDEs is typically known for a given…

Methodology · Statistics 2024-02-27 Xin Cai , Jingyu Yang , Zhibao Li , Hongqiao Wang , Miao Huang

Partial differential equations (PDEs) are central to describing complex physical system simulations. Their expensive solution techniques have led to an increased interest in deep neural network based surrogates. However, the practical…

Machine Learning · Computer Science 2022-11-17 Jayesh K. Gupta , Johannes Brandstetter

Highly accurate simulations of complex phenomena governed by partial differential equations (PDEs) typically require intrusive methods and entail expensive computational costs, which might become prohibitive when approximating steady-state…

Machine Learning · Computer Science 2023-05-17 Paolo Conti , Giorgio Gobat , Stefania Fresca , Andrea Manzoni , Attilio Frangi

We propose a novel finite element-based physics-informed operator learning framework that allows for predicting spatiotemporal dynamics governed by partial differential equations (PDEs). The proposed framework employs a loss function…

Machine Learning · Computer Science 2024-08-07 Yusuke Yamazaki , Ali Harandi , Mayu Muramatsu , Alexandre Viardin , Markus Apel , Tim Brepols , Stefanie Reese , Shahed Rezaei

Solving time-dependent Partial Differential Equations (PDEs) using a densely discretized spatial domain is a fundamental problem in various scientific and engineering disciplines, including modeling climate phenomena and fluid dynamics.…

Machine Learning · Computer Science 2025-10-24 Jan Hagnberger , Daniel Musekamp , Mathias Niepert

High-speed flight vehicles, which travel much faster than the speed of sound, are crucial for national defense and space exploration. However, accurately predicting their behavior under numerous, varied flight conditions is a challenge and…

Machine Learning · Computer Science 2024-11-07 Tyler E. Korenyi-Both , Nathan J. Falkiewicz , Matthew C. Jones

Continual learning aims to incrementally acquire new concepts in data streams while resisting forgetting previous knowledge. With the rise of powerful pre-trained models (PTMs), there is a growing interest in training incremental learning…

Machine Learning · Computer Science 2024-11-05 Linglan Zhao , Xuerui Zhang , Ke Yan , Shouhong Ding , Weiran Huang

When deploying machine learning estimators in science and engineering (SAE) domains, it is critical to avoid failed estimations that can have disastrous consequences, e.g., in aero engine design. This work focuses on detecting and…

Machine Learning · Computer Science 2023-10-31 Ruiyuan Kang , Tingting Mu , Panos Liatsis , Dimitrios C. Kyritsis