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We introduce a method for solving combinatorial optimization problems on digital quantum computers, where we incorporate auxiliary counterdiabatic (CD) terms into the adiabatic Hamiltonian, while integrating bias terms derived from an…

Black-box optimization (BBO) addresses problems where objectives are accessible only through costly queries without gradients or explicit structure. Classical derivative-free methods -- line search, direct search, and model-based solvers…

Machine Learning · Computer Science 2025-10-01 Morteza Kimiaei , Vyacheslav Kungurtsev

Bayesian optimization (BO) is one of the most powerful strategies to solve computationally expensive-to-evaluate blackbox optimization problems. However, BO methods are conventionally used for optimization problems of small dimension…

Optimization and Control · Mathematics 2025-02-10 Rémy Priem , Youssef Diouane , Nathalie Bartoli , Sylvain Dubreuil , Paul Saves

Black-box optimization methods play an important role in many fields of computational simulation. In particular, such methods are often used in the design and modelling of biological systems, including proteins and their complexes with…

Biomolecules · Quantitative Biology 2023-02-08 Dmitry Morozov , Artem Melnikov , Vishal Shete , Michael Perelshtein

Bayesian optimization (BO) is an approach to globally optimizing black-box objective functions that are expensive to evaluate. BO-powered experimental design has found wide application in materials science, chemistry, experimental physics,…

Machine Learning · Computer Science 2023-10-10 Mimi Zhang , Andrew Parnell , Dermot Brabazon , Alessio Benavoli

Branch-and-bound algorithms effectively solve combinatorial optimization problems, relying on the relaxation of the objective function to obtain tight lower bounds. While this is straightforward for convex objective functions, higher-order…

The pursuit of universal black-box optimization (BBO) algorithms is a longstanding goal. However, unlike domains such as language or vision, where scaling structured data has driven generalization, progress in offline BBO remains hindered…

Machine Learning · Computer Science 2025-06-10 Rong-Xi Tan , Ming Chen , Ke Xue , Yao Wang , Yaoyuan Wang , Sheng Fu , Chao Qian

Bayesian optimization is used in many areas of AI for the optimization of black-box processes and has achieved impressive improvements of the state of the art for a lot of applications. It intelligently explores large and complex design…

Materials Science · Physics 2021-08-03 Lars Kotthoff , Hud Wahab , Patrick Johnson

Online black-box optimization (BBO) aims to optimize an objective function by iteratively querying a black-box oracle in a sample-efficient way. While prior studies focus on forward approaches such as Gaussian Processes (GPs) to learn a…

Machine Learning · Computer Science 2025-02-04 Dongxia Wu , Nikki Lijing Kuang , Ruijia Niu , Yi-An Ma , Rose Yu

Bayesian optimization (BO) is a successful methodology to optimize black-box functions that are expensive to evaluate. While traditional methods optimize each black-box function in isolation, there has been recent interest in speeding up BO…

Machine Learning · Statistics 2019-09-30 Valerio Perrone , Huibin Shen , Matthias Seeger , Cedric Archambeau , Rodolphe Jenatton

Macro placement is the problem of placing memory blocks on a chip canvas. It can be formulated as a combinatorial optimization problem over sequence pairs, a representation which describes the relative positions of macros. Solving this…

Detecting high-order epistasis is a fundamental challenge in genetic association studies due to the combinatorial explosion of candidate locus combinations. Although multifactor dimensionality reduction (MDR) is a widely used method for…

Machine Learning · Computer Science 2026-05-14 Shuta Kikuchi , Shu Tanaka

The development of very large-scale integration (VLSI) technology has posed new challenges for electronic design automation (EDA) techniques in chip floorplanning. During this process, macro placement is an important subproblem, which tries…

Machine Learning · Computer Science 2023-10-30 Yunqi Shi , Ke Xue , Lei Song , Chao Qian

Ising machines have the potential to realize fast and highly accurate solvers for combinatorial optimization problems. They are classified based on their internal algorithms. Examples include simulated-annealing-based Ising machines…

Statistical Mechanics · Physics 2023-11-15 Shuta Kikuchi , Nozomu Togawa , Shu Tanaka

Constrained combinatorial optimization problems, which are ubiquitous in industry, can be solved by quantum algorithms such as quantum annealing (QA) and the quantum approximate optimization algorithm (QAOA). In these quantum algorithms,…

Quantum Physics · Physics 2024-12-17 Puya Mirkarimi , Ishaan Shukla , David C. Hoyle , Ross Williams , Nicholas Chancellor

We present PyQUBO, an open-source, Python library for constructing quadratic unconstrained binary optimizations (QUBOs) from the objective functions and the constraints of optimization problems. PyQUBO enables users to prepare QUBOs or…

Quantum Physics · Physics 2021-03-04 Mashiyat Zaman , Kotaro Tanahashi , Shu Tanaka

The major advances in quantum computing over the last few decades have sparked great interest in applying it to solve the most challenging computational problems in a wide variety of areas. One of the most pronounced domains here are…

Quantum Physics · Physics 2024-04-11 Andreas Sturm , Bharadwaj Mummaneni , Leon Rullkötter

This paper introduces an innovative quantum-inspired method for beamforming (BF) optimization in multiple-input multiple-output (MIMO) arrays. The method leverages the simulated bifurcation (SB) algorithm to address the complex…

Bayesian optimization (BO) developed as an approach for the efficient optimization of expensive black-box functions without gradient information. A typical BO paper introduces a new approach and compares it to some alternatives on simulated…

Computation · Statistics 2023-10-17 Jiajie Kong , Tony Pourmohamad , Herbert K. H. Lee

We examined the use of the Ising model as an $L_0$ regularization method for field-aware factorization machines (FFM). This approach improves generalization performance and has the advantage of simultaneously determining the best feature…

Machine Learning · Computer Science 2024-03-06 Yasuharu Okamoto