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Simulations are vital for understanding and predicting the evolution of complex molecular systems. However, despite advances in algorithms and special purpose hardware, accessing the timescales necessary to capture the structural evolution…

Computational Physics · Physics 2021-02-18 Pantelis R. Vlachas , Julija Zavadlav , Matej Praprotnik , Petros Koumoutsakos

Predictive simulations are essential for applications ranging from weather forecasting to material design. The veracity of these simulations hinges on their capacity to capture the effective system dynamics. Massively parallel simulations…

The modeling and simulation of high-dimensional multiscale systems is a critical challenge across all areas of science and engineering. It is broadly believed that even with today's computer advances resolving all spatiotemporal scales…

Machine Learning · Statistics 2023-09-13 Emmanuel Menier , Sebastian Kaltenbach , Mouadh Yagoubi , Marc Schoenauer , Petros Koumoutsakos

We introduce generative models for accelerating simulations of complex systems through learning and evolving their effective dynamics. In the proposed Generative Learning of Effective Dynamics (G-LED), instances of high dimensional data are…

Machine Learning · Computer Science 2024-02-28 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Modeling and simulation of complex fluid flows with dynamics that span multiple spatio-temporal scales is a fundamental challenge in many scientific and engineering domains. Full-scale resolving simulations for systems such as highly…

Machine Learning · Computer Science 2025-02-13 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Complex systems are often decomposed into modular subsystems for engineering tractability. Although various equation based white-box modeling techniques make use of such structure, learning based methods have yet to incorporate these ideas…

Machine Learning · Computer Science 2022-10-31 Jayesh K. Gupta , Sai Vemprala , Ashish Kapoor

Modeling and predicting the dynamics of complex multiscale systems remains a significant challenge due to their inherent nonlinearities and sensitivity to initial conditions, as well as limitations of traditional machine learning methods…

Machine Learning · Computer Science 2025-10-23 Elias Al Ghazal , Jad Mounayer , Beatriz Moya , Sebastian Rodriguez , Chady Ghnatios , Francisco Chinesta

Reduced-order models that accurately abstract high fidelity models and enable faster simulation is vital for real-time, model-based diagnosis applications. In this paper, we outline a novel hybrid modeling approach that combines machine…

Signal Processing · Electrical Eng. & Systems 2020-03-06 Ion Matei , Johan de Kleer , Alexander Feldman , Rahul Rai , Souma Chowdhury

Modeling and controlling complex spatiotemporal dynamical systems driven by partial differential equations (PDEs) often necessitate dimensionality reduction techniques to construct lower-order models for computational efficiency. This paper…

Systems and Control · Electrical Eng. & Systems 2024-09-12 Priyabrata Saha , Saibal Mukhopadhyay

Learning a stable Linear Dynamical System (LDS) from data involves creating models that both minimize reconstruction error and enforce stability of the learned representation. We propose a novel algorithm for learning stable LDSs. Using a…

Machine Learning · Computer Science 2020-11-19 Giorgos Mamakoukas , Orest Xherija , T. D. Murphey

Partial Differential Equations (PDEs) with high dimensionality are commonly encountered in computational physics and engineering. However, finding solutions for these PDEs can be computationally expensive, making model-order reduction…

Machine Learning · Statistics 2023-03-07 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis , Petros Koumoutsakos

Real-world time series are often governed by complex nonlinear dynamics. Understanding these underlying dynamics is crucial for precise future prediction. While deep learning has achieved major success in time series forecasting, many…

Machine Learning · Computer Science 2026-05-26 Abrar Majeedi , Viswanatha Reddy Gajjala , Satya Sai Srinath Namburi GNVV , Nada Magdi Elkordi , Yin Li

Deep learning has been used to demonstrate end-to-end neural network learning for autonomous vehicle control from raw sensory input. While LiDAR sensors provide reliably accurate information, existing end-to-end driving solutions are mainly…

Robotics · Computer Science 2021-05-21 Zhijian Liu , Alexander Amini , Sibo Zhu , Sertac Karaman , Song Han , Daniela Rus

By a high-order numerical homogenization method, a heterogeneous multiscale scheme was developed in Jin & Li (2022) for evolving differential equations containing two time scales. In this paper, we further explore the technique to propose…

Numerical Analysis · Mathematics 2025-09-25 Bojin Chen , Zeyu Jin , Ruo Li

The objective of this paper is to design novel multi-layer neural network architectures for multiscale simulations of flows taking into account the observed data and physical modeling concepts. Our approaches use deep learning concepts…

Numerical Analysis · Mathematics 2018-06-14 Yating Wang , Siu Wun Cheung , Eric T. Chung , Yalchin Efendiev , Min Wang

Multiscale stochastic dynamical systems have been widely adopted to a variety of scientific and engineering problems due to their capability of depicting complex phenomena in many real world applications. This work is devoted to…

Machine Learning · Statistics 2024-01-02 Lingyu Feng , Ting Gao , Min Dai , Jinqiao Duan

Feedback optimization algorithms compute inputs to a system using real-time output measurements, which helps mitigate the effects of disturbances. However, existing work often models both system dynamics and computations in either discrete…

Systems and Control · Electrical Eng. & Systems 2026-03-23 Oscar Jed Chuy , Matthew Hale , Ricardo Sanfelice

Learning or identifying dynamics from a sequence of high-dimensional observations is a difficult challenge in many domains, including reinforcement learning and control. The problem has recently been studied from a generative perspective…

Robotics · Computer Science 2022-07-12 Oliver Limoyo , Bryan Chan , Filip Marić , Brandon Wagstaff , Rupam Mahmood , Jonathan Kelly

When simulating multiscale systems, where some fields cannot be fully prescribed despite their effects on the simulation's accuracy, closure models are needed. This phenomenon is observed in turbulent fluid dynamics, where Large Eddy…

Fluid Dynamics · Physics 2025-12-01 Eduardo Vital , Jean-Marc Gratien , Yassine Ayoun , Thibault Faney , Julien Bohbot

Proper orthogonal decomposition (POD) allows reduced-order modeling of complex dynamical systems at a substantial level, while maintaining a high degree of accuracy in modeling the underlying dynamical systems. Advances in machine learning…

Machine Learning · Computer Science 2023-03-13 Justin Baker , Elena Cherkaev , Akil Narayan , Bao Wang
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