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Accurate molecular force fields are of paramount importance for the efficient implementation of molecular dynamics techniques at large scales. In the last decade, machine learning methods have demonstrated impressive performances in…

Quantum Physics · Physics 2022-07-22 Oriel Kiss , Francesco Tacchino , Sofia Vallecorsa , Ivano Tavernelli

Quantum Annealing (QA) can efficiently solve combinatorial optimization problems whose objective functions are represented by Quadratic Unconstrained Binary Optimization (QUBO) formulations. For broader applicability of QA, quadratization…

Quantum Physics · Physics 2025-07-29 Hyakka Nakada , Shu Tanaka

Finding global optima in high-dimensional optimization problems is extremely challenging since the number of function evaluations required to sufficiently explore the search space increases exponentially with its dimensionality.…

Machine Learning · Computer Science 2022-11-04 Julian F. Schumann , Alejandro M. Aragón

Optimization drives advances in quantum science and machine learning, yet most generative models aim to mimic data rather than to discover optimal answers to challenging problems. Here we present a variational generative optimization…

Quantum Physics · Physics 2025-08-19 Lingxia Zhang , Xiaodie Lin , Peidong Wang , Kaiyan Yang , Xiao Zeng , Zhaohui Wei , Zizhu Wang

Metaheuristic search methods have proven to be essential tools for tackling complex optimization challenges, but their full potential is often constrained by conventional algorithmic frameworks. In this paper, we introduce a novel approach…

Artificial Intelligence · Computer Science 2024-10-23 Abdel-Rahman Hedar , Alaa E. Abdel-Hakim , Wael Deabes , Youseef Alotaibi , Kheir Eddine Bouazza

A quantum algorithm for combinatorial search is presented that provides a simple framework for utilizing search heuristics. The algorithm is evaluated in a new case that is an unstructured version of the graph coloring problem. It performs…

Quantum Physics · Physics 2009-10-06 Tad Hogg

As the complexity and computational demands of deep learning models rise, the need for effective optimization methods for neural network designs becomes paramount. This work introduces an innovative search mechanism for automatically…

Machine Learning · Computer Science 2024-08-12 Seyedarmin Azizi , Mahdi Nazemi , Arash Fayyazi , Massoud Pedram

In a previous publication we proposed discrete global optimization as a method to train a strong binary classifier constructed as a thresholded sum over weak classifiers. Our motivation was to cast the training of a classifier into a format…

Quantum Physics · Physics 2009-12-07 Hartmut Neven , Vasil S. Denchev , Geordie Rose , William G. Macready

In this paper we present efficient algorithmic solutions for several constrained resource allocation, management and discovery problems. We consider new types of resource allocation models and constraints, and we present new geometric…

Data Structures and Algorithms · Computer Science 2009-06-09 Mugurel Ionut Andreica , Madalina Ecaterina Andreica , Daniel Ardelean

Physically motivated classical heuristic optimization algorithms such as simulated annealing (SA) treat the objective function as an energy landscape, and allow walkers to escape local minima. It has been argued that quantum properties such…

Quantum Physics · Physics 2019-08-05 Aniruddha Bapat , Stephen Jordan

The thesis deals with Quantum Algorithms for solving Hard Constrained Optimization Problems. It shows how quantum computers can solve difficult everyday problems such as finding the best schedule for social workers or the path of a robot…

Quantum Physics · Physics 2022-03-01 Parfait Atchade-Adelomou

We investigate two classes of quantum control problems by using frequency-domain optimization algorithms in the context of ultrafast laser control of quantum systems. In the first class, the system model is known and a frequency-domain…

Quantum Physics · Physics 2022-01-19 Daoyi Dong , Chuan-Cun Shu , Jiangchao Chen , Xi Xing , Hailan Ma , Yu Guo , Herschel Rabitz

The use of superposition of states in quantum computation, known as quantum parallelism, has significant advantage in terms of speed over the classical computation. It can be understood from the early invented quantum algorithms such as…

Quantum Physics · Physics 2017-11-17 Pulak Ranjan Giri , Vladimir E. Korepin

Random search methods are widely used for global optimization due to their theoretical generality and implementation simplicity. This paper proposes a depth-first directional search (DFDS) algorithm for globally solving nonconvex…

Optimization and Control · Mathematics 2025-11-12 Yuxuan Zhang , Wenxun Xing

One of the main limitations of variational quantum algorithms is the classical optimization of the highly dimensional non-convex variational parameter landscape. To simplify this optimization, we can reduce the search space using problem…

Quantum Physics · Physics 2025-08-28 Isak Lyngfelt , Laura García-Álvarez

Batch Bayesian optimisation and Bayesian quadrature have been shown to be sample-efficient methods of performing optimisation and quadrature where expensive-to-evaluate objective functions can be queried in parallel. However, current…

Machine Learning · Computer Science 2023-07-06 Masaki Adachi , Satoshi Hayakawa , Saad Hamid , Martin Jørgensen , Harald Oberhauser , Micheal A. Osborne

The quest for real-time dynamic optimization solutions in the process industry represents a formidable computational challenge, particularly within the realm of applications like model-predictive control, where rapid and reliable…

Optimization and Control · Mathematics 2024-04-29 Dennis Michael Nenno , Adrian Caspari

A lot of real-world engineering problems represent dynamicity with nests of nonlinearities due to highly complex network of exponential functions or large number of differential equations interacting together. Such search spaces are…

Neural and Evolutionary Computing · Computer Science 2020-05-07 Mojtaba Moattari , Emad Roshandel , Shima Kamyab , Zohreh Azimifar

Tackling simulation optimization problems with non-convex objective functions remains a fundamental challenge in operations research. In this paper, we propose a class of random search algorithms, called Regular Tree Search, which…

Optimization and Control · Mathematics 2025-06-24 Du-Yi Wang , Guo Liang , Guangwu Liu , Kun Zhang

Variational quantum algorithms constitute one of the most widespread methods for using current noisy quantum computers. However, it is unknown if these heuristic algorithms provide any quantum-computational speedup, although we cannot…