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Navigating the vast chemical space of molecular structures to design novel drug molecules with desired target properties remains a central challenge in drug discovery. Recent advances in generative models offer promising solutions. This…

Combinatorial optimization is anticipated to be one of the primary use cases for quantum computation in the coming years. The Quantum Approximate Optimization Algorithm (QAOA) and Quantum Annealing (QA) can potentially demonstrate…

Unlike most classical algorithms that take an input and give the solution directly as an output, quantum algorithms produce a quantum circuit that works as an indirect solution to computationally hard problems. In the full quantum computing…

Quantum Physics · Physics 2025-05-22 Yikai Mao , Shaswot Shresthamali , Masaaki Kondo

Quantum machine learning (QML) has been identified as one of the key fields that could reap advantages from near-term quantum devices, next to optimization and quantum chemistry. Research in this area has focused primarily on variational…

Quantum Physics · Physics 2022-06-01 Andrea Skolik , Sofiene Jerbi , Vedran Dunjko

Quantum Machine Learning has the potential to improve traditional machine learning methods and overcome some of the main limitations imposed by the classical computing paradigm. However, the practical advantages of using quantum resources…

Quantum Physics · Physics 2023-03-21 Antonio Macaluso , Matthias Klusch , Stefano Lodi , Claudio Sartori

Contemporary macro energy systems modelling is characterized by the need to represent strategic and operational decisions with high temporal and spatial resolution and represent discrete investment and retirement decisions. This drive…

Optimization and Control · Mathematics 2025-10-31 Michael Lau , Filippo Pecci , Jesse D. Jenkins

Evolutionary Algorithms (EAs) are often challenging to apply in real-world settings since evolutionary computations involve a large number of evaluations of a typically expensive fitness function. For example, an evaluation could involve…

Neural and Evolutionary Computing · Computer Science 2024-04-08 Mohammed Ghaith Altarabichi , Sławomir Nowaczyk , Sepideh Pashami , Peyman Sheikholharam Mashhadi

Genetic Algorithms are widely used in many different optimization problems including layout design. The layout of the shelves play an important role in the total sales metrics for superstores since this affects the customers' shopping…

Neural and Evolutionary Computing · Computer Science 2017-04-21 Hamide Ozlem Dalgic , Erkan Bostanci , Mehmet Serdar Guzel

Real-world optimisation problems typically have objective functions which cannot be expressed analytically. These optimisation problems are evaluated through expensive physical experiments or simulations. Cheap approximations of the…

Neural and Evolutionary Computing · Computer Science 2022-11-01 Mohamed Z. Variawa , Terence L. Van Zyl , Matthew Woolway

We present a novel approach for improving the design of ansatzes in Quantum Generative Adversarial Networks (qGANs) by leveraging Large Language Models (LLMs). By combining the strengths of LLMs with qGANs, our approach iteratively refines…

Quantum Physics · Physics 2025-03-18 Kento Ueda , Atsushi Matsuo

The design and performance of computer vision algorithms are greatly influenced by the hardware on which they are implemented. CPUs, multi-core CPUs, FPGAs and GPUs have inspired new algorithms and enabled existing ideas to be realized.…

Computer Vision and Pattern Recognition · Computer Science 2019-04-02 Lisa Tse , Peter Mountney , Paul Klein , Simone Severini

Many statistical problems involve optimization over a discrete parameter space having an unknown dimension. In such settings, gradient-based methods often fail due to the non-differentiability of the objective function or a non-convex or…

Applications · Statistics 2026-03-19 Mo Li , QiQi Lu , Robert Lund , Xueheng Shi

We present ongoing work on a new automatic code generation approach for supporting quantized generative inference on LLMs such as LLaMA or OPT on off-the-shelf CPUs. Our approach is informed by the target architecture and a performance…

Machine Learning · Computer Science 2023-07-10 Tommaso Pegolotti , Elias Frantar , Dan Alistarh , Markus Püschel

We show how to leverage quantum annealers to better select candidates in greedy algorithms. Unlike conventional greedy algorithms that employ problem-specific heuristics for making locally optimal choices at each stage, we use quantum…

Quantum Physics · Physics 2020-02-06 Ramin Ayanzadeh , Milton Halem , John Dorband , Tim Finin

With the development of artificial intelligence, simulation-based optimization problems, which present a significant challenge in the process systems engineering community, are increasingly being addressed with the surrogate-based…

Optimization and Control · Mathematics 2025-01-30 Zixuan Zhang , Xiaowei Song , Yujiao Zeng , Jie Li , Yaling Nie , Min Zhu , Jianhua Chen , Linmin Wang , Xin Xiao

The steady progress of quantum hardware is motivating the search for novel quantum algorithm optimization strategies for near-term, real-world applications. In this study, we propose a novel feature map optimization strategy for Quantum…

Quantum Physics · Physics 2025-03-31 Roberto Moretti , Andrea Giachero , Voica Radescu , Michele Grossi

Photonic inverse design has emerged as an indispensable engineering tool for complex optical systems. In many instances it is important to optimize for both material and geometry configurations, which results in complex non-smooth search…

Optics · Physics 2021-06-17 Jagrit Digani , Phillip Hon , Artur R. Davoyan

Quantum computing is emerging as an important (but radical) technology that might take us beyond Moore's law for certain applications. Today, in parallel with improving quantum computers, computer scientists are relying heavily on quantum…

Hardware Architecture · Computer Science 2023-03-06 Artur Podobas

Optimal subset selection is an important task that has numerous algorithms designed for it and has many application areas. STPGA contains a special genetic algorithm supplemented with a tabu memory property (that keeps track of previously…

Methodology · Statistics 2017-02-28 Deniz Akdemir

In this thesis, we investigate whether quantum algorithms can be used in the field of machine learning for both long and near term quantum computers. We will first recall the fundamentals of machine learning and quantum computing and then…

Quantum Physics · Physics 2021-11-08 Jonas Landman