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Hyperparameter tuning is a challenging problem especially when the system itself involves uncertainty. Due to noisy function evaluations, optimization under uncertainty can be computationally expensive. In this paper, we present a novel…

Machine Learning · Computer Science 2025-10-09 Akash Yadav , Ruda Zhang

Uncertainty quantification during atmospheric chemistry modeling is computationally expensive as it typically requires a large number of simulations using complex models. As large-scale modeling is typically performed with simplified…

Computational Physics · Physics 2024-07-16 Lin Guo , Xiaokai Yang , Zhonghua Zheng , Nicole Riemer , Christopher W. Tessum

Multi-objective optimization involving Quadratic Unconstrained Binary Optimization (QUBO) problems arises in various domains. A fundamental challenge in this context is the effective balancing of multiple objectives, each potentially…

Machine Learning · Computer Science 2026-03-03 Loong Kuan Lee , Thore Gerlach , Nico Piatkowski

Accurate hindcasting of extreme sea state events is essential for coastal engineering, risk assessment, and climate studies. However, the reliability of numerical wave models remains limited by uncertainties in physical parameterizations…

Atmospheric and Oceanic Physics · Physics 2026-01-05 Cédric Goeury , Thierry Fouquet , Maria Teles , Michel Benoit

We introduce a quantum approximate optimization algorithm (QAOA) for continuous optimization. The algorithm is based on the dynamics of a quantum system moving in an energy potential which encodes the objective function. By approximating…

Quantum Physics · Physics 2019-02-04 Guillaume Verdon , Juan Miguel Arrazola , Kamil Brádler , Nathan Killoran

Uncertainty estimations are presented of the response of a multiscale in-stent restenosis model, as obtained by both non-intrusive and semi-intrusive uncertainty quantification. The in-stent restenosis model is a fully coupled multiscale…

Computation · Statistics 2021-11-11 Dongwei Ye , Anna Nikishova , Lourens Veen , Pavel Zun , Alfons G. Hoekstra

In this study, we utilized the quantum flow (QFlow) method to perform quantum simulations of correlated systems. The QFlow approach allows for sampling large sub-spaces of the Hilbert space by solving coupled variational problems in reduced…

Quantum Physics · Physics 2024-10-17 Karol Kowalski , Nicholas P. Bauman

Emulating high-accuracy computationally expensive models is crucial for tasks requiring numerous model evaluations, such as uncertainty quantification and optimization. When lower-fidelity models are available, they can be used to improve…

Methodology · Statistics 2024-10-30 Katerina Giannoukou , Stefano Marelli , Bruno Sudret

The Best Estimate plus Uncertainty (BEPU) approach for nuclear systems modeling and simulation requires that the prediction uncertainty must be quantified in order to prove that the investigated design stays within acceptance criteria. A…

Computation · Statistics 2023-03-24 Ziyu Xie , Farah Alsafadi , Xu Wu

Many state-of-the-art hyperparameter optimization (HPO) algorithms rely on model-based optimizers that learn surrogate models of the target function to guide the search. Gaussian processes are the de facto surrogate model due to their…

Machine Learning · Computer Science 2023-05-08 David Salinas , Jacek Golebiowski , Aaron Klein , Matthias Seeger , Cedric Archambeau

Explainable AI is a crucial component for edge services, as it ensures reliable decision making based on complex AI models. Surrogate models are a prominent approach of XAI where human-interpretable models, such as a linear regression…

Machine Learning · Computer Science 2025-03-12 Foivos Charalampakos , Thomas Tsouparopoulos , Iordanis Koutsopoulos

Recently, artificial neural networks have been gaining momentum in the field of gravitational wave astronomy, for example in surrogate modelling of computationally expensive waveform models for binary black hole inspiral and merger.…

Gravitational wave astrophysics relies heavily on the use of matched filtering both to detect signals in noisy data from detectors, and to perform parameter estimation on those signals. Matched filtering relies upon prior knowledge of the…

General Relativity and Quantum Cosmology · Physics 2020-03-18 Daniel Williams , Ik Siong Heng , Jonathan Gair , James A Clark , Bhavesh Khamesra

We propose a rigorous framework for Uncertainty Quantification (UQ) in which the UQ objectives and the assumptions/information set are brought to the forefront. This framework, which we call \emph{Optimal Uncertainty Quantification} (OUQ),…

Probability · Mathematics 2016-05-20 Houman Owhadi , Clint Scovel , Timothy John Sullivan , Mike McKerns , Michael Ortiz

Statistical surrogate modeling of fluid flows is hard because dynamics are multiscale and highly sensitive to initial conditions. Conditional diffusion surrogates can be accurate, but usually need hundreds of stochastic sampling steps. We…

Machine Learning · Computer Science 2026-02-10 Victor Armegioiu , Yannick Ramic , Siddhartha Mishra

Physics simulators are essential in science and engineering, enabling the analysis, control, and design of complex systems. In experimental sciences, they are increasingly used to automate experimental design, often via combinatorial search…

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

LSST is expected to yield ~10^7 light curves over the course of its mission, which will require a concerted effort in automated classification. Stochastic processes provide one means of quantitatively describing variability with the…

Instrumentation and Methods for Astrophysics · Physics 2017-04-26 J. C. Zinn , C. S. Kochanek , S. Kozłowski , A. Udalski , M. K. Szymański , I. Soszyński , Ł. Wyrzykowski , K. Ulaczyk , R. Poleski , P. Pietrukowicz , J. Skowron , P. Mróz , M. Pawlak

High-fidelity Monte Carlo simulations and complex inverse problems, such as mapping smeared experimental observations to ground-truth states, are computationally intensive yet essential for robust data analysis. Conditional Flow Matching…

Machine Learning · Computer Science 2026-04-03 Zeyu Xia , Tyler Kim , Trevor Reed , Judy Fox , Geoffrey Fox , Adam Szczepaniak

This paper aims at investigating the influence of space-time curvature on the uncertainty relation. In particular, relying on previous findings, we assume the quantum wave function to be confined to a geodesic ball on a given space-like…

General Relativity and Quantum Cosmology · Physics 2021-06-02 Luciano Petruzziello , Fabian Wagner
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