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Many real-world combinatorial problems involve uncertain parameters, which can be predicted given contextual features and historical data. These `predict-then-optimize' or `contextual optimization' problems have gained significant…

Machine Learning · Computer Science 2026-05-19 Noah Schutte , Senne Berden , Tias Guns , Krzysztof Postek , Neil Yorke-Smith

Surrogate-assisted evolutionary algorithms (SAEAs) have been proposed to solve expensive optimization problems. Although SAEAs use surrogate models that approximate the evaluations of solutions using machine learning techniques, prior…

Neural and Evolutionary Computing · Computer Science 2026-01-21 Yuki Hanawa , Tomohiro Harada , Yukiya Miura

A multi-fidelity surrogate model for highly nonlinear multiscale problems is proposed. It is based on the introduction of two different surrogate models and an adaptive on-the-fly switching. The two concurrent surrogates are built…

Computational Physics · Physics 2019-05-03 Felix Fritzen , Mauricio Fernández , Fredrik Larsson

Sensitivity analysis is routinely performed on simplified surrogate models as the cost of such analysis on the original model may be prohibitive. Little is known in general about the induced bias on the sensitivity results. Within the…

Numerical Analysis · Mathematics 2020-03-18 Michael Merritt , Alen Alexanderian , Pierre A. Gremaud

We construct a surrogate loss to directly optimise the significance metric used in particle physics. We evaluate our loss function for a simple event classification task using a linear model and show that it produces decision boundaries…

High Energy Physics - Phenomenology · Physics 2024-12-13 Jai Bardhan , Cyrin Neeraj , Subhadip Mitra , Tanumoy Mandal

End-to-end learning has become a popular method for joint transmitter and receiver optimization in optical communication systems. Such approach may require a differentiable channel model, thus hindering the optimization of links based on…

Signal Processing · Electrical Eng. & Systems 2024-05-21 Sergio Hernandez , Ognjen Jovanovic , Christophe Peucheret , Francesco Da Ros , Darko Zibar

Performing reliability analysis on complex systems is often computationally expensive. In particular, when dealing with systems having high input dimensionality, reliability estimation becomes a daunting task. A popular approach to overcome…

Machine Learning · Statistics 2021-12-22 Navaneeth N. , Souvik Chakraborty

Several recent works have developed methods for training classifiers that are certifiably robust against norm-bounded adversarial perturbations. These methods assume that all the adversarial transformations are equally important, which is…

Machine Learning · Computer Science 2019-03-06 Xiao Zhang , David Evans

A fundamental challenge in machine learning is the choice of a loss as it characterizes our learning task, is minimized in the training phase, and serves as an evaluation criterion for estimators. Proper losses are commonly chosen, ensuring…

Machine Learning · Statistics 2026-03-04 Han Bao , Asuka Takatsu

In real case applications within the virtual prototyping process, it is not always possible to reduce the complexity of the physical models and to obtain numerical models which can be solved quickly. Usually, every single numerical…

Methodology · Statistics 2024-08-08 Thomas Most , Johannes Will

The goal of this paper is to make Optimal Experimental Design (OED) computationally feasible for problems involving significant computational expense. We focus exclusively on the Mean Objective Cost of Uncertainty (MOCU), which is a…

Optimization and Control · Mathematics 2020-12-09 Anthony M. DeGennaro , Francis J. Alexander

Collecting large quantities of high-quality data can be prohibitively expensive or impractical, and a bottleneck in machine learning. One may instead augment a small set of $n$ data points from the target distribution with data from more…

Machine Learning · Computer Science 2024-12-05 Ayush Jain , Andrea Montanari , Eren Sasoglu

A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs,…

Machine Learning · Computer Science 2024-06-28 Alejandro Ribés , Nawfal Benchekroun , Théo Delagnes

We present a new machine learning approach to estimate personalized treatment effects in the classical potential outcomes framework with binary outcomes. To overcome the problem that both treatment and control outcomes for the same unit are…

Machine Learning · Statistics 2018-05-07 Siong Thye Goh , Cynthia Rudin

The statistical consistency of surrogate losses for discrete prediction tasks is often checked via the condition of calibration. However, directly verifying calibration can be arduous. Recent work shows that for polyhedral surrogates, a…

Machine Learning · Computer Science 2025-05-21 Drona Khurana , Anish Thilagar , Dhamma Kimpara , Rafael Frongillo

Bayesian inference typically relies on a large number of model evaluations to estimate posterior distributions. Established methods like Markov Chain Monte Carlo (MCMC) and Amortized Bayesian Inference (ABI) can become computationally…

Machine learning surrogates are increasingly used in engineering to accelerate costly simulations, yet distribution shifts between training and deployment often cause severe performance degradation (e.g., unseen geometries or…

Machine Learning · Computer Science 2026-02-18 Anna Zimmel , Paul Setinek , Gianluca Galletti , Johannes Brandstetter , Werner Zellinger

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

We tackle the problem of quantifying failure probabilities for expensive deterministic computer experiments with stochastic inputs under a fixed budget. The computational cost of the computer simulation prohibits direct Monte Carlo (MC) and…

Methodology · Statistics 2025-07-08 Annie S. Booth , S. Ashwin Renganathan

Neural networks for LHC physics have to be accurate, reliable, and controlled. Using neural surrogates for the prediction of loop amplitudes as a use case, we first show how activation functions are systematically tested with…

High Energy Physics - Phenomenology · Physics 2025-10-28 Henning Bahl , Nina Elmer , Luigi Favaro , Manuel Haußmann , Tilman Plehn , Ramon Winterhalder