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Lower-dimensional subspaces that impact estimates of uncertainty are often described by Linear combinations of input variables, leading to active variables. This paper extends the derivative-based active subspace methods and…

Numerical Analysis · Mathematics 2026-01-08 Matieyendou Lamboni , Sergei Kucherenko

The active learning (AL) technique, one of the state-of-the-art methods for constructing surrogate models, has shown high accuracy and efficiency in forward uncertainty quantification (UQ) analysis. This paper provides a comprehensive study…

Methodology · Statistics 2024-04-12 Maijia Su , Ziqi Wang , Oreste Salvatore Bursi , Marco Broccardo

Surrogate models for partial-differential equations are widely used in the design of meta-materials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates by machine learning can rapidly…

Machine Learning · Computer Science 2020-11-04 Raphaël Pestourie , Youssef Mroueh , Thanh V. Nguyen , Payel Das , Steven G. Johnson

Artificial intelligence is transforming scientific computing with deep neural network surrogates that approximate solutions to partial differential equations (PDEs). Traditional off-line training methods face issues with storage and I/O…

Machine Learning · Computer Science 2024-10-10 Sofya Dymchenko , Abhishek Purandare , Bruno Raffin

Pre-training large language models (LLMs) increasingly requires distributed compute, yet bandwidth constraints make it difficult to scale beyond well-provisioned datacenters-especially when model parallelism forces frequent, large…

Machine Learning · Computer Science 2026-01-06 Yazan Obeidi , Amir Sarfi , Joel Lidin , Paul Janson , Eugene Belilovsky

Fluid antenna systems (FAS) achieve spatial diversity by dynamically switching among $N$ densely packed ports, but the resulting spatially correlated Rayleigh channels render exact outage analysis intractable. Existing block-correlation…

Signal Processing · Electrical Eng. & Systems 2026-03-24 Tuo Wu

In the continual effort to improve product quality and decrease operations costs, computational modeling is increasingly being deployed to determine feasibility of product designs or configurations. Surrogate modeling of these computer…

Machine Learning · Statistics 2021-11-10 Nathan Wycoff , Mickaël Binois , Robert B. Gramacy

Application of Karhunen-Loeve decomposition (KLD, or singular value decomposition) is presented for analysis of the spatio-temporal dynamics of wide-aperture vertical cavity surface emitting laser (VCSEL), considered as a thin-layer system.…

Optics · Physics 2007-05-23 M. U. Karelin , P. V. Paulau , I. V. Babushkin

We propose a non-intrusive method to build surrogate models that approximate the solution of parameterized partial differential equations (PDEs), capable of taking into account the dependence of the solution on the shape of the…

Numerical Analysis · Mathematics 2024-09-20 Linying Zhang , Stefano Pagani , Jun Zhang , Francesco Regazzoni

We propose a multifidelity dimension reduction method to identify a low-dimensional structure present in many engineering models. The structure of interest arises when functions vary primarily on a low-dimensional subspace of the…

Numerical Analysis · Mathematics 2020-01-08 Rémi Lam , Olivier Zahm , Youssef Marzouk , Karen Willcox

We consider a class of stochastic programming problems where the implicitly decision-dependent random variable follows a nonparametric regression model with heteroscedastic error. The Clarke subdifferential and surrogate functions are not…

Optimization and Control · Mathematics 2025-05-13 Boyang Shen , Junyi Liu

Spectral functions encode key many-body information but are costly to compute with high fidelity. Machine-learning surrogates have emerged as a powerful alternative, yet many approaches require large training datasets. We develop a…

Strongly Correlated Electrons · Physics 2026-05-08 Sanket Jantre , Nathan M. Urban , Weiguo Yin , Niraj Aryal

Engineering and applied science rely on computational experiments to rigorously study physical systems. The mathematical models used to probe these systems are highly complex, and sampling-intensive studies often require prohibitively many…

Methodology · Statistics 2024-06-19 Joy N. Mueller , Khachik Sargsyan , Craig J. Daniels , Habib N. Najm

The Karhunen-Lo\`eve Expansion (KLE) of a stochastic process is a well understood eigenfunction expansion used widely in time series analysis, stochastic PDEs, and signal processing. Karhunen-Lo\`eve expansions have also been proven to…

Functional Analysis · Mathematics 2026-04-15 Trajan Murphy

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

Learning precise surrogate models of complex computer simulations and physical machines often require long-lasting or expensive experiments. Furthermore, the modeled physical dependencies exhibit nonlinear and nonstationary behavior.…

Machine Learning · Computer Science 2023-03-20 Matthias Bitzer , Mona Meister , Christoph Zimmer

Large neural networks require enormous computational clusters of machines. Model-parallel training, when the model architecture is partitioned sequentially between workers, is a popular approach for training modern models. Information…

Machine Learning · Computer Science 2024-03-27 Mikhail Rudakov , Aleksandr Beznosikov , Yaroslav Kholodov , Alexander Gasnikov

Active subspace (AS) methods are a valuable tool for understanding the relationship between the inputs and outputs of a Physics simulation. In this paper, an elegant generalization of the traditional ASM is developed to assess the…

Methodology · Statistics 2024-07-23 Kellin N. Rumsey , Zachary K. Hardy , Cory Ahrens , Scott Vander Wiel

Existing deep learning-based surrogate models facilitate efficient data generation, but fall short in uncertainty quantification, efficient parameter space exploration, and reverse prediction. In our work, we introduce SurroFlow, a novel…

Machine Learning · Computer Science 2024-07-19 Jingyi Shen , Yuhan Duan , Han-Wei Shen

We use a constant velocity steered molecular dynamics (SMD) simulation of the stretching of deca-alanine in vacuum to demonstrate a technique that can be used to create surrogate stochastic processes using the time series that come out of…

Statistical Mechanics · Physics 2015-06-25 Christopher P. Calderon
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