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Molecular docking is a critical process for drug discovery and challenging due to the complexity and size of biomolecular systems, where the optimal binding configuration of a drug to a target protein is determined. Hybrid classical-quantum…

Emerging Technologies · Computer Science 2025-03-07 Christos Papalitsas , Yanfei Guan , Shreyas Waghe , Athanasios Liakos , Ioannis Balatsos , Vassilios Pantazopoulos

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

In Markov decision processes (MDPs), quantile risk measures such as Value-at-Risk are a standard metric for modeling RL agents' preferences for certain outcomes. This paper proposes a new Q-learning algorithm for quantile optimization in…

Machine Learning · Computer Science 2024-11-01 Jia Lin Hau , Erick Delage , Esther Derman , Mohammad Ghavamzadeh , Marek Petrik

Quantum Phase Estimation (QPE) is a cornerstone algorithm in quantum computing, with applications ranging from integer factorization to quantum chemistry simulations. However, the resource demands of standard QPE, which require a large…

Quantum Physics · Physics 2026-03-24 Alok Shukla , Prakash Vedula

The Quantum Approximate Optimization Algorithm (QAOA) is an algorithmic framework for finding approximate solutions to combinatorial optimization problems, derived from an approximation to the Quantum Adiabatic Algorithm (QAA). In solving…

Quantum Physics · Physics 2020-02-05 Yue Ruan , Samuel Marsh , Xilin Xue , Xi Li , Zhihao Liu , Jingbo Wang

The simulation of many industrially relevant physical processes can be executed up to exponentially faster using quantum algorithms. However, this speedup can only be leveraged if the data input and output of the simulation can be…

Variational Quantum Algorithms (VQAs) have gained significant attention as a potential solution for various quantum computing applications in the near term. However, implementing these algorithms on quantum devices often necessitates a…

Quantum Physics · Physics 2023-07-11 Seyed Sajad Kahani , Amin Nobakhti

Variational quantum algorithms are believed to be promising for solving computationally hard problems and are often comprised of repeated layers of quantum gates. An example thereof is the quantum approximate optimization algorithm (QAOA),…

We propose a novel hybrid quantum-classical framework that integrates the Quantum Approximate Optimization Algorithm (QAOA) and Quantum-enhanced Markov Chain Monte Carlo (QMCMC) with variational particle filters to tackle the computational…

Quantum Physics · Physics 2025-04-29 Abhiram Sripat

We introduce a new quantum optimization algorithm for dense Linear Programming problems, which can be seen as the quantization of the Interior Point Predictor-Corrector algorithm \cite{Predictor-Corrector} using a Quantum Linear System…

Quantum Physics · Physics 2020-10-15 P. A. M. Casares , M. A. Martin-Delgado

The Quantum Approximate Optimization Algorithm (QAOA) has been suggested as a promising candidate for the solution of combinatorial optimization problems. Yet, whether - or under what conditions - it may offer an advantage compared to…

Quantum Physics · Physics 2025-04-14 Vanessa Dehn , Martin Zaefferer , Gerhard Hellstern , Florentin Reiter , Thomas Wellens

Quality-Diversity (QD) optimization algorithms are a well-known approach to generate large collections of diverse and high-quality solutions. However, derived from evolutionary computation, QD algorithms are population-based methods which…

Neural and Evolutionary Computing · Computer Science 2022-10-11 Bryan Lim , Maxime Allard , Luca Grillotti , Antoine Cully

Quantum Approximate Optimization Algorithm (QAOA) is one of the most promising quantum algorithms for the Noisy Intermediate-Scale Quantum (NISQ) era. Quantifying the performance of QAOA in the near-term regime is of utmost importance. We…

Quantum Physics · Physics 2022-06-16 Ruslan Shaydulin , Yuri Alexeev

The Quantum Approximate Optimization Algorithm (QAOA) is a leading candidate for achieving quantum advantage in combinatorial optimization on Near-Term Intermediate-Scale Quantum (NISQ) devices. However, random initialization of the…

Quantum Physics · Physics 2025-12-30 Matthaus Zering , Jolyon Joyce , Tal Gurfinkel , Jingbo Wang

The $p$-stage Quantum Approximate Optimization Algorithm (QAOA$_p$) is a promising approach for combinatorial optimization on noisy intermediate-scale quantum (NISQ) devices, but its theoretical behavior is not well understood beyond $p=1$.…

Quantum Physics · Physics 2021-04-21 Kunal Marwaha

Deep neural networks (DNNs) have demonstrated their effectiveness in a wide range of computer vision tasks, with the state-of-the-art results obtained through complex and deep structures that require intensive computation and memory.…

Neural and Evolutionary Computing · Computer Science 2022-03-24 Ahmad Shawahna , Sadiq M. Sait , Aiman El-Maleh , Irfan Ahmad

We developed a new quantum annealing (QA) algorithm for Dirichlet process mixture (DPM) models based on the Chinese restaurant process (CRP). QA is a parallelized extension of simulated annealing (SA), i.e., it is a parallel stochastic…

Disordered Systems and Neural Networks · Physics 2013-09-10 Issei Sato , Shu Tanaka , Kenichi Kurihara , Seiji Miyashita , Hiroshi Nakagawa

We present a classical control mechanism for Quantum devices using Reinforcement Learning. Our strategy is applied to the Quantum Approximate Optimization Algorithm (QAOA) in order to optimize an objective function that encodes a solution…

Quantum Physics · Physics 2019-11-25 Artur Garcia-Saez , Jordi Riu

To accelerate the inference of deep neural networks (DNNs), quantization with low-bitwidth numbers is actively researched. A prominent challenge is to quantize the DNN models into low-bitwidth numbers without significant accuracy…

Machine Learning · Computer Science 2024-02-14 Jiajun Zhou , Jiajun Wu , Yizhao Gao , Yuhao Ding , Chaofan Tao , Boyu Li , Fengbin Tu , Kwang-Ting Cheng , Hayden Kwok-Hay So , Ngai Wong

We present a scalable, hardware-aware methodology for extending the Variational Quantum Eigensolver (VQE) to large, realistic Dynamic Portfolio Optimization (DPO) problems. Building on the scaling strategy from our previous work, where we…