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Quantum computing provides powerful algorithmic tools that have been shown to outperform established classical solvers in specific optimization tasks. A core step in solving optimization problems with known quantum algorithms such as the…

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…

Quantum Physics · Physics 2022-10-03 Paul K. Faehrmann , Mark Steudtner , Richard Kueng , Maria Kieferova , Jens Eisert

The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current…

Machine Learning · Computer Science 2025-01-20 Rafael Oliveira , Dino Sejdinovic , David Howard , Edwin V. Bonilla

Bayesian optimization (BO) has been widely used in machine learning and simulation optimization. With the increase in computational resources and storage capacities in these fields, high-dimensional and large-scale problems are becoming…

Machine Learning · Computer Science 2022-06-02 Haowei Wang , Ercong Zhang , Szu Hui Ng , Giulia Pedrielli

Diagnosing the minimal set of faults capable of explaining a set of given observations, e.g., from sensor readouts, is a hard combinatorial optimization problem usually tackled with artificial intelligence techniques. We present the mapping…

Collaborative Optimization (CO) is a multidisciplinary design optimization (MDO) framework that decomposes large-scale engineering problems into parallel, independently solvable subsystems coordinated by a system-level optimizer. Its…

Optimization and Control · Mathematics 2026-05-08 Mohamed Ali Belhafnaoui , Youssef Diouane

Background: Beam angle optimization (BAO) is a critical component of radiation therapy (RT) treatment planning, where small changes in beam configuration can significantly impact treatment quality, especially for proton RT. Mathematically,…

Medical Physics · Physics 2025-09-08 Nimita Shinde , Ya-Nan Zhu , Haozheng Shen , Hao Gao

This paper presents an Improved Bayesian Optimization (IBO) algorithm to solve complex high-dimensional epidemic models' optimal control solution. Evaluating the total objective function value for disease control models with hundreds of…

Methodology · Statistics 2021-08-03 Yuyang Chen , Kaiming Bi , Chih-Hang J. Wu , David Ben-Arieh , Ashesh Sinha

An enhanced framework of quantum approximate optimization algorithm (QAOA) is introduced and the parameter setting strategies are analyzed. The enhanced QAOA is as effective as the QAOA but exhibits greater computing power and flexibility,…

Quantum Physics · Physics 2020-12-18 Mingyou Wu , Zhihao Liu , Hanwu Chen

Quantum Phase Estimation (QPE) routines are known to fail probabilistically even with perfect gates and input states. This effect stems from an incompatibility of finite-sized quantum registers to capture a phase within QPE with phase…

Quantum Physics · Physics 2025-08-12 Harriet Apel , Cristian L. Cortes , Jessica Lemieux , Mark Steudtner

In recent years, quantum, quantum-inspired, and hybrid algorithms are increasingly showing promise for solving software engineering optimization problems. However, best-intended practices for conducting empirical studies have not yet well…

Software Engineering · Computer Science 2025-11-03 Man Zhang , Yuechen Li , Tao Yue , Kai-Yuan Cai

Bayesian optimization (BO) has gained attention as an efficient algorithm for black-box optimization of expensive-to-evaluate systems, where the BO algorithm iteratively queries the system and suggests new trials based on a probabilistic…

Machine Learning · Computer Science 2026-03-13 Eike Cramer , Luis Kutschat , Oliver Stollenwerk , Joel A. Paulson , Alexander Mitsos

One of the leading candidates for near-term quantum advantage is the class of Variational Quantum Algorithms, but these algorithms suffer from classical difficulty in optimizing the variational parameters as the number of parameters…

Quantum Physics · Physics 2022-11-28 Cem M. Unsal , Lucas T. Brady

Combinatorial optimization is anticipated to be one of the primary use cases for quantum computation in the coming years. The Quantum Approximate Optimization Algorithm (QAOA) and Quantum Annealing (QA) can potentially demonstrate…

Advancements in quantum computing are fuelling emerging applications across disciplines, including finance, where quantum and quantum-inspired algorithms can now make market predictions, detect fraud, and optimize portfolios. Expanding this…

Quantum Physics · Physics 2023-01-06 Anna G. Hughes , Jack S. Baker , Santosh Kumar Radha

Quantum computers (QCs) must implement quantum error correcting codes (QECCs) to protect their logical qubits from errors, and modeling the effectiveness of QECCs on QCs is an important problem for evaluating the QC architecture. The…

Quantum Physics · Physics 2009-11-13 Eric Chi , Stephen A. Lyon , Margaret Martonosi

First Order Bayesian Optimization (FOBO) is a sample efficient sequential approach to find the global maxima of an expensive-to-evaluate black-box objective function by suitably querying for the function and its gradient evaluations. Such…

Machine Learning · Computer Science 2023-06-21 Utkarsh Prakash , Aryan Chollera , Kushagra Khatwani , Prabuchandran K. J. , Tejas Bodas

High-quality quantum state generation is essential for advanced quantum information processing, including quantum communication, quantum sensing, and quantum computing. In practice, various error sources degrade the quality of quantum…

Multi-fidelity Bayesian optimization (MFBO) accelerates the search for the global optimum of black-box functions by integrating inexpensive, low-fidelity approximations. The central task of an MFBO policy is to balance the cost-efficiency…

Machine Learning · Computer Science 2026-02-03 Md Abir Hossen , Mohammad Ali Javidian , Vignesh Narayanan , Jason M. O'Kane , Pooyan Jamshidi

Bayesian optimization provides sample-efficient global optimization for a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. We introduce BoTorch, a modern programming framework…