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Variational quantum algorithms are a class of techniques intended to be used on near-term quantum computers. The goal of these algorithms is to perform large quantum computations by breaking the problem down into a large number of shallow…

Quantum Physics · Physics 2023-03-24 Ryan Shaffer , Lucas Kocia , Mohan Sarovar

The ongoing development of quantum processors is driving breakthroughs in scientific discovery. Despite this progress, the formidable cost of fabricating large-scale quantum processors means they will remain rare for the foreseeable future,…

Quantum Physics · Physics 2025-07-24 Wei-You Liao , Yuxuan Du , Xinbiao Wang , Tian-Ci Tian , Yong Luo , Bo Du , Dacheng Tao , He-Liang Huang

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing…

Machine Learning · Computer Science 2019-05-14 Aaron Klein , Frank Hutter

Recent advances in probabilistic modelling have led to a large number of simulation-based inference algorithms which do not require numerical evaluation of likelihoods. However, a public benchmark with appropriate performance metrics for…

Machine Learning · Statistics 2021-04-12 Jan-Matthis Lueckmann , Jan Boelts , David S. Greenberg , Pedro J. Gonçalves , Jakob H. Macke

Addressing real-world optimization challenges requires not only advanced metaheuristics but also continuous refinement of their internal mechanisms. This paper explores the integration of machine learning in the form of neural surrogate…

Neural and Evolutionary Computing · Computer Science 2026-03-31 Tomohiro Harada , Enrique Alba , Gabriel Luque

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework…

Machine Learning · Computer Science 2023-06-09 Jonathan Wilder Lavington , Sharan Vaswani , Reza Babanezhad , Mark Schmidt , Nicolas Le Roux

Recent developments in surrogate construction predominantly focused on two strategies to improve surrogate accuracy. Firstly, component-wise domain scaling informed by cross-validation. Secondly, regression to construct response surfaces…

Optimization and Control · Mathematics 2023-04-03 Johann Bouwer , Daniel N. Wilke , Schalk Kok

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

Surrogate markers are often employed in clinical trials to replace primary outcomes that may be difficult, expensive, or time-consuming to measure directly. These markers can accelerate the evaluation of new treatments, provided they…

Methodology · Statistics 2026-03-17 Pietro Carlotti , Layla Parast

The increased penetration of wind power introduces more operational changes of critical corridors and the traditional time-consuming transient stability constrained total transfer capability (TTC) operational planning is unable to meet the…

Systems and Control · Electrical Eng. & Systems 2020-06-30 Gao Qiu , Youbo Liu , Junyong Liu , Junbo Zhao , Lingfeng Wang , Tingjian Liu , Hongjun Gao

AI models are increasingly prevalent in high-stakes environments, necessitating thorough assessment of their capabilities and risks. Benchmarks are popular for measuring these attributes and for comparing model performance, tracking…

Artificial Intelligence · Computer Science 2024-11-21 Anka Reuel , Amelia Hardy , Chandler Smith , Max Lamparth , Malcolm Hardy , Mykel J. Kochenderfer

The performance of optimizers, particularly in deep learning, depends considerably on their chosen hyperparameter configuration. The efficacy of optimizers is often studied under near-optimal problem-specific hyperparameters, and finding…

Machine Learning · Computer Science 2020-08-18 Prabhu Teja Sivaprasad , Florian Mai , Thijs Vogels , Martin Jaggi , François Fleuret

The development of quantum algorithms and their practical applications currently relies heavily on the efficient design, compilation, and optimization of quantum circuits. In particular, parametrized quantum circuits (PQCs), which serve as…

Quantum Physics · Physics 2025-10-14 Darya Martyniuk , Johannes Jung , Daniel Barta , Adrian Paschke

Dynamic Algorithm Configuration (DAC) tackles the question of how to automatically learn policies to control parameters of algorithms in a data-driven fashion. This question has received considerable attention from the evolutionary…

Machine Learning · Computer Science 2023-08-15 Deyao Chen , Maxim Buzdalov , Carola Doerr , Nguyen Dang

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

We present an algorithm for multi-objective optimization of computationally expensive problems. The proposed algorithm is based on solving a set of surrogate problems defined by models of the real one, so that only solutions estimated to be…

Neural and Evolutionary Computing · Computer Science 2021-04-20 Santiago Cuervo , Miguel Melgarejo , Angie Blanco-Cañon , Laura Reyes-Fajardo , Sergio Rojas-Galeano

Prediction+optimization is a common real-world paradigm where we have to predict problem parameters before solving the optimization problem. However, the criteria by which the prediction model is trained are often inconsistent with the goal…

Machine Learning · Computer Science 2021-11-23 Kai Yan , Jie Yan , Chuan Luo , Liting Chen , Qingwei Lin , Dongmei Zhang

Benchmarking plays an important role in the development of novel search algorithms as well as for the assessment and comparison of contemporary algorithmic ideas. This paper presents common principles that need to be taken into account when…

Neural and Evolutionary Computing · Computer Science 2018-10-08 Michael Hellwig , Hans-Georg Beyer