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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…

We present a probabilistic deep learning methodology that enables the construction of predictive data-driven surrogates for stochastic systems. Leveraging recent advances in variational inference with implicit distributions, we put forth a…

Machine Learning · Statistics 2019-01-16 Yibo Yang , Paris Perdikaris

Modeling groundwater flow in three-dimensional fractured crystalline media requires accounting for strong spatial heterogeneity induced by fractures. Fine-scale discrete fracture-matrix (DFM) simulations can capture this complexity but are…

Machine Learning · Computer Science 2026-04-06 Martin Špetlík , Jan Březina

Surrogate modeling is a viable solution for applications involving repetitive evaluations of expensive computational fluid dynamics models, such as uncertainty quantification and inverse problems. This study proposes a multi-layer…

Fluid Dynamics · Physics 2024-06-24 Gurpreet S. Hora , Marco G. Giometto

A meta-model of the input-output data of a computationally expensive simulation is often employed for prediction, optimization, or sensitivity analysis purposes. Fitting is enabled by a designed experiment, and for computationally expensive…

Methodology · Statistics 2023-12-01 Andrew Gill , David J. Warne , Antony M. Overstall , Clare McGrory , James M. McGree

Surrogate modeling is a powerful methodology in chemical process engineering, frequently employed to accelerate optimization tasks where traditional flowsheet simulators are computationally prohibitive. However, the state-of-the-art is…

Computational Engineering, Finance, and Science · Computer Science 2025-09-30 Martin Bubel , Tobias Seidel , Michael Bortz

Production optimization in stress-sensitive unconventional reservoirs is governed by a nonlinear trade-off between pressure-driven flow and stress-induced degradation of fracture conductivity and matrix permeability. While higher drawdown…

Machine Learning · Computer Science 2026-04-02 Mahammad Valiyev , Jodel Cornelio , Behnam Jafarpour

With an increasing demand for training powers for deep learning algorithms and the rapid growth of computation resources in data centers, it is desirable to dynamically schedule different distributed deep learning tasks to maximize resource…

Machine Learning · Computer Science 2019-05-03 Haibin Lin , Hang Zhang , Yifei Ma , Tong He , Zhi Zhang , Sheng Zha , Mu Li

Driven by advances in hardware and software technologies, nonlinear model predictive control (NMPC) has gained increasing adoption in both industry and academia over the past decades. However, its practical deployment is often limited by…

Optimization and Control · Mathematics 2026-04-10 Perceval Beja-Battais , Guillaume Dupré , Alain Grossetête , Nicolas Vayatis

High-performance scientific simulations, important for comprehension of complex systems, encounter computational challenges especially when exploring extensive parameter spaces. There has been an increasing interest in developing deep…

Machine Learning · Computer Science 2024-07-15 Pradeep Bajracharya , Javier Quetzalcóatl Toledo-Marín , Geoffrey Fox , Shantenu Jha , Linwei Wang

How to model distribution of sequential data, including but not limited to speech and human motions, is an important ongoing research problem. It has been demonstrated that model capacity can be significantly enhanced by introducing…

Machine Learning · Computer Science 2018-06-19 Guokun Lai , Bohan Li , Guoqing Zheng , Yiming Yang

In many learning applications, data are collected from multiple sources, each providing a \emph{batch} of samples that by itself is insufficient to learn its input-output relationship. A common approach assumes that the sources fall in one…

Machine Learning · Computer Science 2023-09-06 Ayush Jain , Rajat Sen , Weihao Kong , Abhimanyu Das , Alon Orlitsky

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.…

Evolutionary illumination is a recent technique that allows producing many diverse, optimal solutions in a map of manually defined features. To support the large amount of objective function evaluations, surrogate model assistance was…

Neural and Evolutionary Computing · Computer Science 2017-03-30 Alexander Hagg

Building an accurate surrogate model for the spatio-temporal outputs of a computer simulation is a challenging task. A simple approach to improve the accuracy of the surrogate is to cluster the outputs based on similarity and build a…

Machine Learning · Computer Science 2023-07-06 Chandrika Kamath , Juliette S. Franzman

The increased penetration of wind power introduces more operational changes of critical corridors and the traditional time-consuming transient stability constrained total transfer capability (TTC) operational planning is unable to meet the…

Systems and Control · Electrical Eng. & Systems 2020-06-30 Gao Qiu , Youbo Liu , Junyong Liu , Junbo Zhao , Lingfeng Wang , Tingjian Liu , Hongjun Gao

Modern computational methods, involving highly sophisticated mathematical formulations, enable several tasks like modeling complex physical phenomenon, predicting key properties and design optimization. The higher fidelity in these computer…

Computational Engineering, Finance, and Science · Computer Science 2023-04-13 Lele Luan , Nesar Ramachandra , Sandipp Krishnan Ravi , Anindya Bhaduri , Piyush Pandita , Prasanna Balaprakash , Mihai Anitescu , Changjie Sun , Liping Wang

Fatigue crack growth is one of the most common types of deterioration in metal structures with significant implications on their reliability. Recent advances in Structural Health Monitoring (SHM) have motivated the use of structural…

Machine Learning · Statistics 2023-10-12 Nicholas E. Silionis , Konstantinos N. Anyfantis

We consider large-scale industrial computer model calibration, combining multi-output simulation with limited physical observation, involved in the development of a honeycomb seal. Toward that end, we adopt a localized sampling and…

Methodology · Statistics 2022-07-18 Jiangeng Huang , Robert B. Gramacy

Gaussian process (GP) surrogate modeling for large computer experiments is limited by cubic runtimes, especially with data from stochastic simulations with input-dependent noise. A popular workaround to reduce computational complexity…

Methodology · Statistics 2022-06-01 D Austin Cole , Robert B Gramacy , Mike Ludkovski
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