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Here, we present two complementary approaches that advance quadratic unconstrained binary optimization (QUBO) toward practical use in data-driven materials design and other real-valued black-box optimization tasks. First, we introduce a…

Materials Science · Physics 2025-12-15 Thomas Plehn , Daniel Barragan-Yani , Eric Breitbarth , Guillermo Requena , David Melching

In recent years, there is a growing interest in using quantum computers for solving combinatorial optimization problems. In this work, we developed a generic, machine learning-based framework for mapping continuous-space inverse design…

We present a quantum feature-selection framework based on a higher-order unconstrained binary optimization (HUBO) formulation that explicitly incorporates multivariate dependencies beyond standard quadratic encodings. In contrast to…

Algorithms and hardware for solving quadratic unconstrained binary optimization (QUBO) problems have made significant recent progress. This advancement has focused attention on formulating combinatorial optimization problems as quadratic…

Machine Learning · Computer Science 2025-08-26 Yuta Shikuri

In machine learning, fewer features reduce model complexity. Carefully assessing the influence of each input feature on the model quality is therefore a crucial preprocessing step. We propose a novel feature selection algorithm based on a…

Quantum Physics · Physics 2023-02-22 Sascha Mücke , Raoul Heese , Sabine Müller , Moritz Wolter , Nico Piatkowski

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

We consider a convex optimization problem with many linear inequality constraints. To deal with a large number of constraints, we provide a penalty reformulation of the problem, where the penalty is a variant of the one-sided Huber loss…

Optimization and Control · Mathematics 2023-11-03 Angelia Nedich , Tatiana Tatarenko

Many computational problems involve optimization over discrete variables with quadratic interactions. Known as discrete quadratic models (DQMs), these problems in general are NP-hard. Accordingly, there is increasing interest in encoding…

Quantum Physics · Physics 2024-02-16 Tristan Zaborniak , Ulrike Stege

This paper focuses on the design of sequential quadratic optimization (commonly known as SQP) methods for solving large-scale nonlinear optimization problems. The most computationally demanding aspect of such an approach is the computation…

Optimization and Control · Mathematics 2020-02-27 James V. Burke , Frank E. Curtis , Hao Wang , Jiashan Wang

Quadratic unconstrained binary optimization problems (QUBOs) are intensively discussed in the realm of quantum computing and polynomial optimization. We provide a vast experimental study of semidefinite programming (SDP) relaxations of…

A step-search sequential quadratic programming method is proposed for solving nonlinear equality constrained stochastic optimization problems. It is assumed that constraint function values and derivatives are available, but only stochastic…

Optimization and Control · Mathematics 2024-10-08 Albert S. Berahas , Miaolan Xie , Baoyu Zhou

Solving combinatorial optimization problems on current noisy quantum devices is currently being advocated for (and restricted to) binary polynomial optimization with equality constraints via quantum heuristic approaches. This is achieved…

Quantum Physics · Physics 2021-02-04 Claudio Gambella , Andrea Simonetto

The quantum approximate optimization algorithm is commonly used to solve combinatorial optimization problems. While unconstrained problems map naturally into the algorithm, incorporating constraints typically requires penalizing constraint…

Quantum Physics · Physics 2025-09-01 Matthew Brunet , Shilpi Shah , Mostafa Atallah , Anthony Wilkie , Rebekah Herrman

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…

The LogQ algorithm encodes Quadratic Unconstrained Binary Optimization (QUBO) problems, which are often encountered in the industry (portfolio optimization, fleet optimization, charging stations, etc.). It was developed within the framework…

Optimization and Control · Mathematics 2026-04-15 Jérémie Messud , Yagnik Chatterjee

Recovering nonlinearly degraded signal in the presence of noise is a challenging problem. In this work, this problem is tackled by minimizing the sum of a non convex least-squares fit criterion and a penalty term. We assume that the…

Signal Processing · Electrical Eng. & Systems 2019-02-27 Marc Castella , Jean-Christophe Pesquet , Arthur Marmin

In this paper, we study a variant of the quadratic penalty method for linearly constrained convex problems, which has already been widely used but actually lacks theoretical justification. Namely, the penalty parameter steadily increases…

Numerical Analysis · Mathematics 2017-11-30 Huan Li , Cong Fang , Zhouchen Lin

Constrained combinatorial optimization problems (CCOPs) are challenging to solve due to the exponential growth of the solution space. When tackled with Ising machines, constraints are typically enforced by the penalty function method, whose…

Statistical Mechanics · Physics 2025-10-31 Shunta Ide , Shuta Kikuchi , Shu Tanaka

Bayesian optimization is a powerful optimization tool for problems where native first-order derivatives are unavailable. Recently, constrained Bayesian optimization (CBO) has been applied to many engineering applications where constraints…

Optimization and Control · Mathematics 2024-03-21 J. Wang , C. G. Petra , J. L. Peterson

In finance, assessing the creditworthiness of loan applicants requires lenders to cluster borrowers using rating scales. Financial institutions must define the scales in compliance with strict institutional constraints, resulting in solving…