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A Theory-guided Auto-Encoder (TgAE) framework is proposed for surrogate construction and is further used for uncertainty quantification and inverse modeling tasks. The framework is built based on the Auto-Encoder (or Encoder-Decoder)…

Machine Learning · Computer Science 2021-09-14 Nanzhe Wang , Haibin Chang , Dongxiao Zhang

Evolutionary Reinforcement Learning (ERL), training the Reinforcement Learning (RL) policies with Evolutionary Algorithms (EAs), have demonstrated enhanced exploration capabilities and greater robustness than using traditional policy…

Machine Learning · Computer Science 2025-05-30 Bingdong Li , Mei Jiang , Hong Qian , Ke Tang , Aimin Zhou , Peng Yang

In recent years, the use of machine learning-based surrogate models for computational fluid dynamics (CFD) simulations has emerged as a promising technique for reducing the computational cost associated with engine design optimization.…

Deep neural networks have become increasingly of interest in dynamical system prediction, but out-of-distribution generalization and long-term stability still remains challenging. In this work, we treat the domain parameters of dynamical…

Machine Learning · Computer Science 2023-06-02 Stathi Fotiadis , Mario Lino , Shunlong Hu , Stef Garasto , Chris D Cantwell , Anil Anthony Bharath

Generative modeling and self-supervised learning have in recent years made great strides towards learning from data in a completely unsupervised way. There is still however an open area of investigation into guiding a neural network to…

Machine Learning · Computer Science 2023-05-17 Vaishnavi Patil , Matthew Evanusa , Joseph JaJa

As neural networks grow in scale, their training becomes both computationally demanding and rich in dynamics. Amidst the flourishing interest in these training dynamics, we present a novel observation: Parameters during training exhibit…

Machine Learning · Computer Science 2024-07-24 Jonathan Brokman , Roy Betser , Rotem Turjeman , Tom Berkov , Ido Cohen , Guy Gilboa

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

The widespread use of neural surrogates in automotive aerodynamics, enabled by datasets such as DrivAerML and DrivAerNet++, has primarily focused on bluff-body flows with large wakes. Extending these methods to aerospace, particularly in…

Computational Engineering, Finance, and Science · Computer Science 2026-02-04 Fabian Paischer , Leo Cotteleer , Yann Dreze , Richard Kurle , Dylan Rubini , Maurits Bleeker , Tobias Kronlachner , Johannes Brandstetter

We investigate the potential of supervised machine learning to propagate a quantum system in time. While Markovian dynamics can be learned easily, given a sufficient amount of data, non-Markovian systems are non-trivial and their…

Quantum Physics · Physics 2022-07-13 James Nelson , Luuk Coopmans , Graham Kells , Stefano Sanvito

Recent advancements in Markov chain Monte Carlo (MCMC) sampling and surrogate modelling have significantly enhanced the feasibility of Bayesian analysis across engineering fields. However, the selection and integration of surrogate models…

Computational Physics · Physics 2024-11-22 Leon Riccius , Iuri B. C. M. Rocha , Joris Bierkens , Hanne Kekkonen , Frans P. van der Meer

In recent years, deep learning has proven to be a viable methodology for surrogate modeling and uncertainty quantification for a vast number of physical systems. However, in their traditional form, such models can require a large amount of…

Computational Physics · Physics 2019-12-04 Nicholas Geneva , Nicholas Zabaras

Nowadays, multi-sensor technologies are applied in many fields, e.g., Health Care (HC), Human Activity Recognition (HAR), and Industrial Control System (ICS). These sensors can generate a substantial amount of multivariate time-series data.…

Artificial Intelligence · Computer Science 2021-08-03 Yuxin Zhang , Yiqiang Chen , Jindong Wang , Zhiwen Pan

Projection-based model reduction has become a popular approach to reduce the cost associated with integrating large-scale dynamical systems so they can be used in many-query settings such as optimization and uncertainty quantification. For…

Numerical Analysis · Mathematics 2020-08-26 Han Gao , Jian-Xun Wang , Matthew J. Zahr

We present parameter-interpolated dynamic mode decomposition (piDMD), a parametric reduced-order modeling framework that embeds known parameter-affine structure directly into the DMD regression step. Unlike existing parametric DMD methods…

Systems and Control · Electrical Eng. & Systems 2026-04-15 Ananda Chakrabarti , Haitham H. Saleh , Indranil Nayak , Balasubramaniam Shanker , Fernando L. Teixeira , Debdipta Goswami

Recent advances in autoregressive neural surrogate models have enabled orders-of-magnitude speedups in simulating dynamical systems. However, autoregressive models are generally prone to distribution drift: compounding errors in…

Machine Learning · Computer Science 2026-03-19 Qi Liu , Laure Zanna , Joan Bruna

In this era of digital information explosion, an abundance of data from numerous modalities is being generated as well as archived everyday. However, most problems associated with training Deep Neural Networks still revolve around lack of…

Machine Learning · Computer Science 2019-12-30 Sravanti Addepalli , Gaurav Kumar Nayak , Anirban Chakraborty , R. Venkatesh Babu

In this paper, we study unsupervised anomaly detection algorithms that learn a neural network representation, i.e. regular patterns of normal data, which anomalies are deviating from. Inspired by a similar concept in engineering, we refer…

Machine Learning · Computer Science 2025-11-12 Simon Klüttermann , Tim Katzke , Emmanuel Müller

In this paper, we propose a surrogate-assisted evolutionary algorithm (EA) for hyperparameter optimization of machine learning (ML) models. The proposed STEADE model initially estimates the objective function landscape using RadialBasis…

Neural and Evolutionary Computing · Computer Science 2020-12-14 Subhodip Biswas , Adam D Cobb , Andreea Sistrunk , Naren Ramakrishnan , Brian Jalaian

Following the introduction of Dynamic Mode Decomposition and its numerous extensions, many neural autoencoder-based implementations of the Koopman operator have recently been proposed. This class of methods appears to be of interest for…

Machine Learning · Computer Science 2025-06-06 Anthony Frion , Lucas Drumetz , Mauro Dalla Mura , Guillaume Tochon , Abdeldjalil Aïssa-El-Bey

In the paper, a multi-objective evolutionary surrogate-assisted approach for the fast and effective generative design of coastal breakwaters is proposed. To approximate the computationally expensive objective functions, the deep…

Neural and Evolutionary Computing · Computer Science 2022-10-28 Nikita O. Starodubcev , Nikolay O. Nikitin , Anna V. Kalyuzhnaya