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As uncertainty and sensitivity analysis of complex models grows ever more important, the difficulty of their timely realizations highlights a need for more efficient numerical operations. Non-intrusive Polynomial Chaos methods are highly…

Numerical Analysis · Mathematics 2022-04-14 Konstantin Weise , Erik Müller , Lucas Poßner , Thomas R. Knösche

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

Image and Video Processing · Electrical Eng. & Systems 2020-10-01 Xihaier Luo , Ahsan Kareem

Despite the recent progress in hyperparameter optimization (HPO), available benchmarks that resemble real-world scenarios consist of a few and very large problem instances that are expensive to solve. This blocks researchers and…

Machine Learning · Computer Science 2019-11-26 Aaron Klein , Zhenwen Dai , Frank Hutter , Neil Lawrence , Javier Gonzalez

The Worldwide LHC Computing Grid (WLCG) provides the robust computing infrastructure essential for the LHC experiments by integrating global computing resources into a cohesive entity. Simulations of different compute models present a…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-14 Larissa Schmid , Maximilian Horzela , Valerii Zhyla , Manuel Giffels , Günter Quast , Anne Koziolek

Most real-world optimization problems are difficult to solve with traditional statistical techniques or with metaheuristics. The main difficulty is related to the existence of a considerable number of local optima, which may result in the…

Neural and Evolutionary Computing · Computer Science 2022-06-08 Gloria Pietropolli , Giuliamaria Menara , Mauro Castelli

Rerandomization is an experimental design technique that repeatedly randomizes treatment assignments until covariates are balanced between treatment groups. Rerandomization in the design stage of an experiment can lead to many asymptotic…

Methodology · Statistics 2026-04-10 Antônio Carlos Herling Ribeiro Junior

Metaheuristic search algorithms look for solutions that either maximise or minimise a set of objectives, such as cost or performance. However most real-world optimisation problems consist of nonlinear problems with complex constraints and…

Neural and Evolutionary Computing · Computer Science 2022-06-29 Manjinder Singh , Alexander E. I. Brownlee , David Cairns

We propose a multi-fidelity neural network surrogate sampling method for the uncertainty quantification of physical/biological systems described by ordinary or partial differential equations. We first generate a set of low/high-fidelity…

Numerical Analysis · Mathematics 2020-05-07 Mohammad Motamed

One method to solve expensive black-box optimization problems is to use a surrogate model that approximates the objective based on previous observed evaluations. The surrogate, which is cheaper to evaluate, is optimized instead to find an…

Optimization and Control · Mathematics 2021-05-28 Rickard Karlsson , Laurens Bliek , Sicco Verwer , Mathijs de Weerdt

Predicting and simulating aerodynamic fields for civil aircraft over wide flight envelopes represent a real challenge mainly due to significant numerical costs and complex flows. Surrogate models and reduced-order models help to estimate…

Fluid Dynamics · Physics 2019-12-11 Romain Dupuis , Jean-Christophe Jouhaud , Pierre Sagaut

For stochastic process models, parameter inference is often severely bottlenecked by computationally expensive likelihood functions. Simulation-based inference (SBI) bypasses this restriction by constructing amortized surrogate likelihoods,…

Machine Learning · Statistics 2026-05-26 Alexander Shen , Mikael Kuusela

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

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

In computer-aided engineering design, the goal of a designer is to find an optimal design on a given requirement using the numerical simulator in loop with an optimization method. In this design optimization process, a good design…

Machine Learning · Computer Science 2023-03-01 Harsh Vardhan , Peter Volgyesi , Janos Sztipanovits

Many real-world decision-making processes rely on solving mixed-integer nonlinear programming (MINLP) problems. However, finding high-quality solutions to MINLPs is often computationally demanding. This has motivated the development of…

Optimization and Control · Mathematics 2025-10-17 Marina Cuesta , Claudia D'Ambrosio , María Durban , Vanesa Guerrero , Renan Spencer Trindade

Uncertainty Quantification (UQ) is receiving more and more attention for engineering applications in particular from robust optimization. Indeed, running a computer experiment only provides a limited knowledge in terms of uncertainty and…

Algorithms from Randomized Numerical Linear Algebra (RandNLA) are known to be effective in handling high-dimensional computational problems, providing high-quality empirical performance as well as strong probabilistic guarantees. However,…

Machine Learning · Computer Science 2025-01-13 Younghyun Cho , James W. Demmel , Michał Dereziński , Haoyun Li , Hengrui Luo , Michael W. Mahoney , Riley J. Murray

Adaptive designs are increasingly used in clinical trials and online experiments to improve participant outcomes by dynamically updating treatment allocation as data accumulate. In practice, experimenters often consider multiple candidate…

Methodology · Statistics 2026-04-08 Wenxin Zhang , Aaron Hudson , Maya Petersen , Mark van der Laan

The efficient estimation of an approximate model order is very important for real applications with multi-dimensional data if the observed low-rank data is corrupted by additive noise. In this paper, we present a novel robust method for…

Methodology · Statistics 2022-12-21 Alexey A. Korobkov , Marina K. Diugurova , Jens Haueisen , Martin Haardt

When designing new materials, it is often necessary to design a material with specific desired properties. Unfortunately, as new design variables are added, the search space grows exponentially, which makes synthesizing and validating the…

Machine Learning · Computer Science 2025-10-10 Shaan Pakala , Aldair E. Gongora , Brian Giera , Evangelos E. Papalexakis