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When it comes to expensive black-box optimization problems, Bayesian Optimization (BO) is a well-known and powerful solution. Many real-world applications involve a large number of dimensions, hence scaling BO to high dimension is of much…

Machine Learning · Statistics 2024-12-18 Lam Ngo , Huong Ha , Jeffrey Chan , Hongyu Zhang

Quadratic unconstrained binary optimization (QUBO) is the mathematical formalism for phrasing and solving a class of optimization problems that are combinatorial in nature. Due to their natural equivalence with the two dimensional Ising…

Variational quantum algorithms have been advocated as promising candidates to solve combinatorial optimization problems on near-term quantum computers. Their methodology involves transforming the optimization problem into a quadratic…

Quantum Physics · Physics 2023-08-01 Zoé Verchère , Sourour Elloumi , Andrea Simonetto

Structured optimization problems are ubiquitous in fields like data science and engineering. The goal in structured optimization is using a prescribed set of points, called atoms, to build up a solution that minimizes or maximizes a given…

Optimization and Control · Mathematics 2021-01-14 Andrea Cristofari , Francesco Rinaldi

Bayesian Optimization (BO) is widely used for optimizing expensive black-box functions, particularly in hyperparameter tuning. However, standard BO assumes access to precise objective values, which may be unavailable, noisy, or unreliable…

Machine Learning · Statistics 2025-10-07 Tunde Fahd Egunjobi

There is growing interest in solving computer vision problems such as mesh or point set alignment using Adiabatic Quantum Computing (AQC). Unfortunately, modern experimental AQC devices such as D-Wave only support Quadratic Unconstrained…

Bayesian optimization (BO ) is an effective method for optimizing expensive-to-evaluate black-box functions. While high-dimensional problems can be particularly challenging, due to the multitude of parameter choices and the potentially high…

Machine Learning · Computer Science 2025-04-09 Erik Hellsten , Carl Hvarfner , Leonard Papenmeier , Luigi Nardi

Bayesian optimization (BO) is a popular approach for expensive black-box optimization, with applications including parameter tuning, experimental design, robotics. BO usually models the objective function by a Gaussian process (GP), and…

Machine Learning · Statistics 2020-01-22 Chao Qian , Hang Xiong , Ke Xue

The optimization of expensive to evaluate, black-box, mixed-variable functions, i.e. functions that have continuous and discrete inputs, is a difficult and yet pervasive problem in science and engineering. In Bayesian optimization (BO),…

Machine Learning · Computer Science 2020-08-05 Erik Daxberger , Anastasia Makarova , Matteo Turchetta , Andreas Krause

Bayesian optimization (BO) is an effective approach to optimize expensive black-box functions, that seeks to trade-off between exploitation (selecting parameters where the maximum is likely) and exploration (selecting parameters where we…

Machine Learning · Statistics 2021-10-19 Tristan Fauvel , Matthew Chalk

Qubit-efficient optimization studies how large combinatorial problems can be addressed with quantum circuits whose width is far smaller than the number of logical variables. In quadratic unconstrained binary optimization (QUBO), objective…

Quantum Physics · Physics 2026-01-13 Gordon Ma , Dimitris G. Angelakis

Black-box model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function, are ubiquitous in a wide range of domains, such as the design of proteins, DNA sequences, aircraft,…

Machine Learning · Computer Science 2022-02-18 Brandon Trabucco , Xinyang Geng , Aviral Kumar , Sergey Levine

A quadratic binary unconstrained optimization model, hereafter QUBO, by definition is unconstrained. This, however, is not ideal if one needs to select a model containing only a fixed size binary vector. In this work we show how to add a…

Optimization and Control · Mathematics 2021-01-11 Clark Alexander

We introduce a variational quantum algorithm to solve unconstrained black box binary optimization problems, i.e., problems in which the objective function is given as black box. This is in contrast to the typical setting of quantum…

In solving optimization problems, objective functions generally need to be minimized or maximized. However, objective functions cannot always be formulated explicitly in a mathematical form for complicated problem settings. Although several…

Statistical Mechanics · Physics 2021-07-20 Ami S. Koshikawa , Masayuki Ohzeki , Tadashi Kadowaki , Kazuyuki Tanaka

We consider the problem of optimizing hybrid structures (mixture of discrete and continuous input variables) via expensive black-box function evaluations. This problem arises in many real-world applications. For example, in materials design…

Machine Learning · Computer Science 2021-12-03 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa

Quadratic Unconstrained Binary Optimization (QUBO or UBQP) is concerned with maximizing/minimizing the quadratic form $H(J, \eta) = W \sum_{i,j} J_{i,j} \eta_{i} \eta_{j}$ with $J$ a matrix of coefficients, $\eta \in \{0, 1\}^N$ and $W$ a…

Probability · Mathematics 2024-07-02 Marco Isopi , Benedetto Scoppola , Alessio Troiani

The optimization of high-dimensional black-box functions is a challenging problem. When a low-dimensional linear embedding structure can be assumed, existing Bayesian optimization (BO) methods often transform the original problem into…

Machine Learning · Statistics 2022-11-03 Shuhei A. Horiguchi , Tomoharu Iwata , Taku Tsuzuki , Yosuke Ozawa

Bayesian optimization (BO) offers an efficient pipeline for optimizing black-box functions with the help of a Gaussian process prior and an acquisition function (AF). Recently, in the context of single-objective BO, learning-based AFs…

Machine Learning · Computer Science 2025-05-30 Yu-Heng Hung , Kai-Jie Lin , Yu-Heng Lin , Chien-Yi Wang , Cheng Sun , Ping-Chun Hsieh

We consider the problem of optimizing combinatorial spaces (e.g., sequences, trees, and graphs) using expensive black-box function evaluations. For example, optimizing molecules for drug design using physical lab experiments. Bayesian…

Machine Learning · Computer Science 2022-02-07 Aryan Deshwal , Janardhan Rao Doppa
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