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The performance of machine learning surrogates is critically dependent on data quality and quantity. This presents a major challenge, as high-fidelity (HF) data is often scarce and computationally expensive to acquire, while low-fidelity…

Machine Learning · Computer Science 2026-02-03 Jice Zeng , David Barajas-Solano , Hui Chen

The quantification of uncertainties of computer simulations due to input parameter uncertainties is paramount to assess a model's credibility. For computationally expensive simulations, this is often feasible only via surrogate models that…

Methodology · Statistics 2021-08-30 Sascha Ranftl , Wolfgang von der Linden

Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal…

Computational Engineering, Finance, and Science · Computer Science 2025-02-26 Abhishek Ajayakumar , Soumyendu Raha

The evaluation of one-loop matrix elements is one of the main bottlenecks in precision calculations for the high-luminosity phase of the Large Hadron Collider. To alleviate this problem, a new C++ interface to the MCFM parton-level Monte…

High Energy Physics - Phenomenology · Physics 2022-01-05 John M Campbell , Stefan Höche , Christian T Preuss

The treatment of Hall-effect thrusters as nonlinear, dynamical systems has emerged as a new perspective to understand and analyze data acquired from the thrusters. The acquisition of high-speed data that can resolve the characteristic…

Chaotic Dynamics · Physics 2024-08-14 Adrian S Wong , Christine M Greve , Daniel Q Eckhardt

There is a high interest in accelerating multiscale models using data-driven surrogate modeling techniques. Creating a large training dataset encompassing all relevant load scenarios is essential for a good surrogate, yet the computational…

Numerical Analysis · Mathematics 2025-04-24 J. Storm , W. Sun , I. B. C. M. Rocha , F. P. van der Meer

Structured prediction involves learning to predict complex structures rather than simple scalar values. The main challenge arises from the non-Euclidean nature of the output space, which generally requires relaxing the problem formulation.…

Machine Learning · Statistics 2024-11-19 Junjie Yang , Matthieu Labeau , Florence d'Alché-Buc

We present extensive empirical evidence showing that current Bayesian simulation-based inference algorithms can produce computationally unfaithful posterior approximations. Our results show that all benchmarked algorithms -- (Sequential)…

Machine Learning · Statistics 2022-12-06 Joeri Hermans , Arnaud Delaunoy , François Rozet , Antoine Wehenkel , Volodimir Begy , Gilles Louppe

High-fidelity simulation models are widely used to analyze complex stochastic systems, but their high computational cost motivates the development of cheaper surrogate models that approximate the simulation model's input-output…

Machine Learning · Statistics 2026-05-28 Mohammadmahdi Ghasemloo , David J. Eckman , Yaxian Li

This paper aims to understand whether machine learning models should be trained using cost-sensitive surrogates or cost-agnostic ones (e.g., cross-entropy). Analyzing this question through the lens of $\mathcal{H}$-calibration, we find that…

Machine Learning · Computer Science 2025-02-28 Sanket Shah , Milind Tambe , Jessie Finocchiaro

Highly accurate datasets from numerical or physical experiments are often expensive and time-consuming to acquire, posing a significant challenge for applications that require precise evaluations, potentially across multiple scenarios and…

Machine Learning · Computer Science 2026-02-06 Paolo Conti , Mengwu Guo , Attilio Frangi , Andrea Manzoni

Continuous phase estimation is known to be superior in accuracy as compared to static estimation. The estimation process is, however, desired to be made robust to uncertainties in the underlying parameters. Here, homodyne phase estimation…

Optimization and Control · Mathematics 2015-09-14 Shibdas Roy , Obaid Ur Rehman , Ian R. Petersen , Elanor H. Huntington

Learning-to-Defer routes each input to the expert that minimizes expected cost, but it assumes that the information available to every expert is fixed at decision time. Many modern systems violate this assumption: after selecting an expert,…

Machine Learning · Statistics 2026-05-29 Yannis Montreuil , Leïna Montreuil , Axel Carlier , Lai Xing Ng , Wei Tsang Ooi

This paper investigates learning-augmented algorithms for smooth integer programs, covering canonical problems such as MAX-CUT and MAX-k-SAT. We introduce a framework that incorporates a predictive oracle to construct a linear surrogate of…

Data Structures and Algorithms · Computer Science 2026-02-04 Hao-Yuan He , Ming Li

Neural networks can be used to identify phases and phase transitions in condensed matter systems via supervised machine learning. Readily programmable through modern software libraries, we show that a standard feed-forward neural network…

Strongly Correlated Electrons · Physics 2017-05-24 Juan Carrasquilla , Roger G. Melko

A surrogate model that accurately predicts distribution system voltages is crucial for reliable smart grid planning and operation. This letter proposes a fixed-point data-driven surrogate modeling method that employs a limited dataset to…

Systems and Control · Electrical Eng. & Systems 2024-01-01 Hoang Tien Nguyen , Young-Jin Kim , Dae-Hyun Choi

This work aims at the goal whether the artificial intelligence can recognize phase transition without the prior human knowledge. If this becomes successful, it can be applied to, for instance, analyze data from quantum simulation of…

Statistical Mechanics · Physics 2017-11-01 Ce Wang , Hui Zhai

With the advancement of strategies for the precision physics programs for the HL-LHC, FCC-ee, FCC-hh, ILC, CLIC, CEPC, and CPPC, the need for proper control of the attendant theoretical precision tags is manifest. We discuss the role that…

High Energy Physics - Phenomenology · Physics 2023-02-03 B. F. L. Ward , S. Jadach , W. Placzek , M. Skrzypek , Z. Was , S. A. Yost

Surrogate models for computational simulations are input-output approximations that allow computationally intensive analyses, such as uncertainty propagation and inference, to be performed efficiently. When a simulation output does not…

Computational Engineering, Finance, and Science · Computer Science 2014-08-05 Alex A. Gorodetsky , Youssef M. Marzouk

Microstructure evolution, which plays a critical role in determining materials properties, is commonly simulated by the high-fidelity but computationally expensive phase-field method. To address this, we approximate microstructure evolution…

Materials Science · Physics 2024-11-22 Saurabh Tiwari , Prathamesh Satpute , Supriyo Ghosh
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