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Bayesian optimization is a broadly applied methodology to optimize the expensive black-box function. Despite its success, it still faces the challenge from the high-dimensional search space. To alleviate this problem, we propose a novel…

Machine Learning · Computer Science 2020-10-20 Jingfan Chen , Guanghui Zhu , Chunfeng Yuan , Yihua Huang

This paper proposes an extension of regression trees by quadratic unconstrained binary optimization (QUBO). Regression trees are very popular prediction models that are trainable with tabular datasets, but their accuracy is insufficient…

Machine Learning · Computer Science 2023-03-20 Koichiro Yawata , Yoshihiro Osakabe , Takuya Okuyama , Akinori Asahara

Machine learning (ML) methods offer a wide range of configurable hyperparameters that have a significant influence on their performance. While accuracy is a commonly used performance objective, in many settings, it is not sufficient.…

Machine Learning · Computer Science 2023-09-27 Romain Egele , Tyler Chang , Yixuan Sun , Venkatram Vishwanath , Prasanna Balaprakash

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

Multi-objective combinatorial optimization seeks Pareto-optimal solutions over exponentially large discrete spaces, yet existing methods sacrifice generality, scalability, or theoretical guarantees. We reformulate it as an online learning…

Machine Learning · Computer Science 2026-02-13 Esha Singh , Dongxia Wu , Chien-Yi Yang , Tajana Rosing , Rose Yu , Yi-An Ma

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

In this work, we introduce a novel Quadratic Binary Optimization (QBO) framework for training a quantized neural network. The framework enables the use of arbitrary activation and loss functions through spline interpolation, while Forward…

Machine Learning · Computer Science 2025-12-09 Wenxin Li , Chuan Wang , Hongdong Zhu , Qi Gao , Yin Ma , Hai Wei , Kai Wen

In alloy design, the search for candidate materials is often framed as an optimization problem, with the goal of identifying Pareto-optimal solutions across multiple objectives. However, Pareto-optimal solutions do not necessarily satisfy…

Materials Science · Physics 2025-10-24 Cayden Maguire , Christofer Hardcastle , Trevor Hastings , Raymundo Arróyave , Brent Vela

We present a classical algorithm to find approximate solutions to instances of quadratic unconstrained binary optimisation. The algorithm can be seen as an analogue of quantum annealing under the restriction of a product state space, where…

Quantum Physics · Physics 2023-02-14 Joseph Bowles , Alexandre Dauphin , Patrick Huembeli , José Martinez , Antonio Acín

Multi-objective optimization problems can be found in many real-world applications, where the objectives often conflict each other and cannot be optimized by a single solution. In the past few decades, numerous methods have been proposed to…

Machine Learning · Computer Science 2024-07-24 Xi Lin , Xiaoyuan Zhang , Zhiyuan Yang , Fei Liu , Zhenkun Wang , Qingfu Zhang

A challenge for scalability of demand-responsive, elastic optical Dense Wavelength Division Multiplexing (DWDM) and Flexgrid networks is the computational complexity of allocating many optical routes on large networks. We demonstrate that…

Networking and Internet Architecture · Computer Science 2024-02-13 Ethan Davies , Darren Banfield , Vlad Carare , Ben Weaver , Catherine White , Nigel Walker

Recent works on quantum algorithms for solving semidefinite optimization (SDO) problems have leveraged a quantum-mechanical interpretation of positive semidefinite matrices to develop methods that obtain quantum speedups with respect to the…

Quantum Physics · Physics 2025-06-06 Brandon Augustino , Giacomo Nannicini , Tamás Terlaky , Luis Zuluaga

Quadratic Unconstrained Binary Optimization (QUBO) is a combinatorial optimization to find an optimal binary solution vector that minimizes the energy value defined by a quadratic formula of binary variables in the vector. As many NP-hard…

Performance · Computer Science 2023-10-19 Koji Nakano , Daisuke Takafuji , Yasuaki Ito , Takashi Yazane , Junko Yano , Shiro Ozaki , Ryota Katsuki , Rie Mori

Combinatorial optimization plays a crucial role in many industrial applications. While classical computing often struggles with complex instances, quantum optimization emerges as a promising alternative. Here, we present an enhanced…

Design problems in industrial engineering often involve a large number of design variables with multiple objectives, under complex nonlinear constraints. The algorithms for multiobjective problems can be significantly different from the…

Optimization and Control · Mathematics 2013-03-27 Xin-She Yang

We propose an approach to solving constrained combinatorial optimization problems based on embedding the concept of Lagrangian duality into the framework of adiabatic quantum computation. Within the setting of circuit-model fault-tolerant…

Optimization and Control · Mathematics 2024-04-30 Einar Gabbassov , Gili Rosenberg , Artur Scherer

The peptide-protein docking problem is an important problem in structural biology that facilitates rational and efficient drug design. In this work, we explore modeling and solving this problem with the quantum-amenable quadratic…

Efficient optimisation of black-box problems that comprise both continuous and categorical inputs is important, yet poses significant challenges. We propose a new approach, Continuous and Categorical Bayesian Optimisation (CoCaBO), which…

Machine Learning · Statistics 2020-08-11 Binxin Ru , Ahsan S. Alvi , Vu Nguyen , Michael A. Osborne , Stephen J Roberts

This paper addresses the problem of constrained multi-objective optimization over black-box objective functions with practitioner-specified preferences over the objectives when a large fraction of the input space is infeasible (i.e.,…

Machine Learning · Computer Science 2023-03-24 Alaleh Ahmadianshalchi , Syrine Belakaria , Janardhan Rao Doppa

We present a review that unifies decision-support methods for exploring the solutions produced by multi-objective optimization (MOO) algorithms. As MOO is applied to solve diverse problems, approaches for analyzing the trade-offs offered by…

Artificial Intelligence · Computer Science 2023-11-21 Zuzanna Osika , Jazmin Zatarain Salazar , Diederik M. Roijers , Frans A. Oliehoek , Pradeep K. Murukannaiah