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Amplitude estimation algorithms are based on Grover's algorithm: alternating reflections about the input state and the desired outcome. But what if we are given the ability to perform arbitrary rotations, instead of just reflections? In…

Quantum Physics · Physics 2023-03-08 Patrick Rall , Bryce Fuller

Scientific machine learning is increasingly being spoken of as universal emulators for classical numerical solvers for multi-scale partial differential equations, but most apparent successes can be explained by facts that also define their…

Mathematical Physics · Physics 2026-04-23 Karthik Duraisamy

Variational inference is a powerful paradigm for approximate Bayesian inference with a number of appealing properties, including support for model learning and data subsampling. By contrast MCMC methods like Hamiltonian Monte Carlo do not…

Machine Learning · Statistics 2022-07-14 Martin Jankowiak , Du Phan

In this contribution, we discuss the construction of Polynomial Chaos surrogates for Monte Carlo radiation transport applications via non-intrusive spectral projection. This contribution focuses on improvements with respect to the approach…

Numerical Analysis · Mathematics 2024-03-19 Gianluca Geraci , Kayla Clements , Aaron J Olson

Surrogate Neural Networks are nowadays routinely used in industry as substitutes for computationally demanding engineering simulations (e.g., in structural analysis). They allow to generate faster predictions and thus analyses in industrial…

In particle physics, semi-supervised machine learning is an attractive option to reduce model dependencies searches beyond the Standard Model. When utilizing semi-supervised techniques in training machine learning models in the search for…

High Energy Physics - Experiment · Physics 2021-09-16 Benjamin Lieberman , Joshua Choma , Salah-Eddine Dahbi , Bruce Mellado , Xifeng Ruan

Standard quantum amplitude estimation algorithms provide quadratic speedup to Monte-Carlo simulations but require a circuit depth that scales as inverse of the estimation error. In view of the shallow depth in near-term devices, the…

Quantum Physics · Physics 2024-10-03 Dinh-Long Vu , Bin Cheng , Patrick Rebentrost

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

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

Robust estimation is much more challenging in high dimensions than it is in one dimension: Most techniques either lead to intractable optimization problems or estimators that can tolerate only a tiny fraction of errors. Recent work in…

Machine Learning · Computer Science 2018-03-14 Ilias Diakonikolas , Gautam Kamath , Daniel M. Kane , Jerry Li , Ankur Moitra , Alistair Stewart

Neural networks can be used as surrogates for PDE models. They can be made physics-aware by penalizing underlying equations or the conservation of physical properties in the loss function during training. Current approaches allow to…

Machine Learning · Computer Science 2022-07-01 Raphael Leiteritz , Patrick Buchfink , Bernard Haasdonk , Dirk Pflüger

Robustness to adversarial perturbations is of paramount concern in modern machine learning. One of the state-of-the-art methods for training robust classifiers is adversarial training, which involves minimizing a supremum-based surrogate…

Machine Learning · Computer Science 2023-05-18 Natalie S. Frank , Jonathan Niles-Weed

Polynomial chaos expansion is a popular way to develop surrogate models for stochastic systems with arbitrary random variables. Standard techniques such as Galerkin projection, stochastic collocation, and least squares approximation, are…

Optimization and Control · Mathematics 2019-09-10 Vedang M. Deshpande , Raktim Bhattacharya

This paper studies theoretically and empirically a method of turning machine-learning algorithms into probabilistic predictors that automatically enjoys a property of validity (perfect calibration) and is computationally efficient. The…

Machine Learning · Computer Science 2015-11-16 Vladimir Vovk , Ivan Petej , Valentina Fedorova

Recent research has introduced a key notion of $H$-consistency bounds for surrogate losses. These bounds offer finite-sample guarantees, quantifying the relationship between the zero-one estimation error (or other target loss) and the…

Machine Learning · Computer Science 2025-12-30 Anqi Mao , Mehryar Mohri , Yutao Zhong

The advent of noisy intermediate-scale quantum computers has put the search for possible applications to the forefront of quantum information science. One area where hopes for an advantage through near-term quantum computers are high is…

Quantum Physics · Physics 2023-09-11 Franz J. Schreiber , Jens Eisert , Johannes Jakob Meyer

Adversarial robustness is an increasingly critical property of classifiers in applications. The design of robust algorithms relies on surrogate losses since the optimization of the adversarial loss with most hypothesis sets is NP-hard. But…

Machine Learning · Computer Science 2021-05-05 Pranjal Awasthi , Natalie Frank , Anqi Mao , Mehryar Mohri , Yutao Zhong

This paper proposes a technique for training a neural network by minimizing a surrogate loss that approximates the target evaluation metric, which may be non-differentiable. The surrogate is learned via a deep embedding where the Euclidean…

Computer Vision and Pattern Recognition · Computer Science 2020-07-20 Yash Patel , Tomas Hodan , Jiri Matas

This survey gives an overview of Monte Carlo methodologies using surrogate models, for dealing with densities which are intractable, costly, and/or noisy. This type of problem can be found in numerous real-world scenarios, including…

Machine Learning · Computer Science 2025-09-24 F. Llorente , L. Martino , J. Read , D. Delgado