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Offline black-box optimization (BBO) aims to find optimal designs based solely on an offline dataset of designs and their labels. Such scenarios frequently arise in domains like DNA sequence design and robotics, where only a few labeled…

Computational Engineering, Finance, and Science · Computer Science 2026-01-22 Ye Yuan , Can , Chen , Zipeng Sun , Dinghuai Zhang , Christopher Pal , Xue Liu

Bayesian Optimization (BO) is an effective method for finding the global optimum of expensive black-box functions. However, it is well known that applying BO to high-dimensional optimization problems is challenging. To address this issue, a…

Machine Learning · Statistics 2024-02-06 Lam Ngo , Huong Ha , Jeffrey Chan , Vu Nguyen , Hongyu Zhang

To tackle combinatorial optimization problems using an Ising machine, the objective function and constraints must be mapped onto a quadratic unconstrained binary optimization (QUBO) model. While QUBO involves binary variables, combinatorial…

Statistical Mechanics · Physics 2025-01-22 Shuta Kikuchi , Kotaro Takahashi , Shu Tanaka

Bayesian Optimization (BO) is a surrogate-assisted global optimization technique that has been successfully applied in various fields, e.g., automated machine learning and design optimization. Built upon a so-called infill-criterion and…

Neural and Evolutionary Computing · Computer Science 2020-07-03 Elena Raponi , Hao Wang , Mariusz Bujny , Simonetta Boria , Carola Doerr

Due to the very narrow beam used in millimeter wave communication (mmWave), beam alignment (BA) is a critical issue. In this work, we investigate the issue of mmWave BA and present a novel beam alignment scheme on the basis of a machine…

Signal Processing · Electrical Eng. & Systems 2022-07-29 Songjie Yang , Baojuan Liu , Zhiqin Hong , Zhongpei Zhang

Bayesian optimization (BO) is an efficient framework for solving black-box optimization problems with expensive function evaluations. This paper addresses the BO problem setting for combinatorial spaces (e.g., sequences and graphs) that…

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

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization…

Machine Learning · Computer Science 2023-07-26 Xiaobin Li , Kai Wu , Xiaoyu Zhang , Handing Wang , Jing Liu

Several combinatorial optimization problems can be solved with NISQ devices once that a corresponding quadratic unconstrained binary optimization (QUBO) form is derived. The aim of this work is to drastically reduce the variables needed for…

Quantum Physics · Physics 2026-02-25 Dario De Santis , Salvatore Tirone , Stefano Marmi , Vittorio Giovannetti

In this paper, we introduce a novel approach for addressing the multi-objective optimization problem in large language model merging via black-box multi-objective optimization algorithms. The goal of model merging is to combine multiple…

Computation and Language · Computer Science 2024-11-26 Bingdong Li , Zixiang Di , Yanting Yang , Hong Qian , Peng Yang , Hao Hao , Ke Tang , Aimin Zhou

Multi-fidelity Bayesian Optimization (MFBO) is a promising framework to speed up materials and molecular discovery as sources of information of different accuracies are at hand at increasing cost. Despite its potential use in chemical…

Bayesian optimization (BO) is among the most effective and widely-used blackbox optimization methods. BO proposes solutions according to an explore-exploit trade-off criterion encoded in an acquisition function, many of which are computed…

Machine Learning · Computer Science 2021-02-19 Louis C. Tiao , Aaron Klein , Matthias Seeger , Edwin V. Bonilla , Cedric Archambeau , Fabio Ramos

Black-box optimization problems often require simultaneously optimizing different types of variables, such as continuous, integer, and categorical variables. Unlike integer variables, categorical variables do not necessarily have a…

Neural and Evolutionary Computing · Computer Science 2025-05-22 Ryoki Hamano , Shota Saito , Masahiro Nomura , Kento Uchida , Shinichi Shirakawa

The goal of Multi-task Bayesian Optimization (MBO) is to minimize the number of queries required to accurately optimize a target black-box function, given access to offline evaluations of other auxiliary functions. When offline datasets are…

Machine Learning · Computer Science 2022-03-11 Kourosh Hakhamaneshi , Pieter Abbeel , Vladimir Stojanovic , Aditya Grover

We present a novel formulation of structural design optimization problems specifically tailored to be solved by quantum annealing (QA). Structural design optimization aims to find the best, i.e., material-efficient yet high-performance,…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Fabian Key , Lukas Freinberger

This paper studies distributed algorithms for (strongly convex) composite optimization problems over mesh networks, subject to quantized communications. Instead of focusing on a specific algorithmic design, a black-box model is proposed,…

Optimization and Control · Mathematics 2022-05-19 Nicolò Michelusi , Gesualdo Scutari , Chang-Shen Lee

Quantum annealers provide an effective framework for solving large-scale combinatorial optimization problems. This work presents a novel methodology for training Variational Quantum Algorithms (VQAs) by reformulating the parameter…

Quantum Physics · Physics 2025-09-03 Ernesto Acosta , Guillermo Botella , Carlos Cano

This study focuses on mixed-variable black-box optimization (MV-BBO), addressing continuous, integer, and categorical variables. Many real-world MV-BBO problems involve dependencies among these different types of variables, requiring…

Neural and Evolutionary Computing · Computer Science 2026-01-08 Ryoki Hamano , Masahiro Nomura , Shota Saito , Kento Uchida , Shinichi Shirakawa

An Ising model is defined by a quadratic objective function known as the Hamiltonian, composed of spin variables that can take values of either $-1$ or $+1$. The goal is to assign spin values to these variables in a way that minimizes the…

Emerging Technologies · Computer Science 2024-06-27 Shunsuke Tsukiyama , Koji Nakano , Xiaotian Li , Yasuaki Ito , Takumi Kato , Yuya Kawamata

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

We demonstrate experimentally that the bias-field digitized counterdiabatic quantum optimization (BF-DCQO) algorithm on IBM's 156-qubit devices can outperform simulated annealing (SA) and CPLEX in time-to-approximate solutions for specific…