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Quantum chemistry and materials science are among the most promising areas for demonstrating algorithmic quantum advantage and quantum utility due to their inherent quantum mechanical nature. Still, large-scale simulations of quantum…

Approximate combinatorial optimization is a promising use case for quantum computers. The quantum optimization algorithms often employ a fixed ansatz that evolves an unbiased initial state towards states with better values of the optimand,…

Quantum Physics · Physics 2026-04-30 Phillip C. Lotshaw , Titus Morris , Stuart Hadfield , Ryan Bennink

Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…

Quantum Physics · Physics 2025-06-02 Smik Patel , Praveen Jayakumar , Tzu-Ching Yen , Artur F. Izmaylov

Scientific experimentation, a cornerstone of human progress, demands rigor in reliability, methodical control, and interpretability to yield meaningful results. Despite the growing capabilities of large language models (LLMs) in automating…

Numerical optimization of complex systems benefits from the technological development of computing platforms in the last twenty years. Unfortunately, this is still not enough, and a large computational time is still necessary when…

Optimization and Control · Mathematics 2022-09-07 Daniele Peri

Finding optimal solutions to combinatorial optimization problems is pivotal in both scientific and technological domains, within academic research and industrial applications. A considerable amount of effort has been invested in the…

Statistical Mechanics · Physics 2024-12-13 Zi-Song Shen , Feng Pan , Yao Wang , Yi-Ding Men , Wen-Biao Xu , Man-Hong Yung , Pan Zhang

We present the results of a numerical study, with 20 qubits, of the performance of the Quantum Adiabatic Algorithm on randomly generated instances of MAX 2-SAT with a unique assignment that maximizes the number of satisfied clauses. The…

Quantum Physics · Physics 2014-01-29 Elizabeth Crosson , Edward Farhi , Cedric Yen-Yu Lin , Han-Hsuan Lin , Peter Shor

A new type of experiment that aims to determine the optimal quantities of a sequence of factors is eliciting considerable attention in medical science, bioengineering, and many other disciplines. Such studies require the simultaneous…

Methodology · Statistics 2022-09-14 Qian Xiao , Yaping Wang , Abhyuday Mandal , Xinwei Deng

The phase estimation algorithm is a powerful quantum algorithm with applications in cryptography, number theory, and simulation of quantum systems. We use this algorithm to simulate the time evolution of a system of two spin-1/2 particles…

Quantum Physics · Physics 2021-05-12 Scott Johnstun , Jean-François Van Huele

Sparked by innovations in generative artificial intelligence (AI), the field of protein design has undergone a paradigm shift with an explosion of new models for optimizing existing enzymes or creating them from scratch. After more than one…

Biomolecules · Quantitative Biology 2026-02-04 Lasse Middendorf , Noelia Ferruz

Artificial intelligence (AI) has been widely used in bioimage image analysis nowadays, but the efficiency of AI models, like the energy consumption and latency is not ignorable due to the growing model size and complexity, as well as the…

Machine Learning · Computer Science 2023-06-14 Yu Zhou , Justin Sonneck , Sweta Banerjee , Stefanie Dörr , Anika Grüneboom , Kristina Lorenz , Jianxu Chen

Quantum phase estimation combined with Hamiltonian simulation is the most promising algorithmic framework to computing ground state energies on quantum computers. Its main computational overhead derives from the Hamiltonian simulation…

Protein characterization is one of the key components for understanding the human body and advancing drug discovery processes. While the future of quantum hardware holds the potential to accurately characterize these molecules, current…

Quantum Physics · Physics 2025-05-05 Laia Coronas Sala , Parfait Atchade-Adelemou

Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost…

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…

Quantum Physics · Physics 2022-10-03 Paul K. Faehrmann , Mark Steudtner , Richard Kueng , Maria Kieferova , Jens Eisert

Optimization problems are crucial in artificial intelligence. Optimization algorithms are generally used to adjust the performance of artificial intelligence models to minimize the error of mapping inputs to outputs. Current evaluation…

Artificial Intelligence · Computer Science 2021-11-23 Zhicheng He

While neural networks have advanced the frontiers in many machine learning applications, they often come at a high computational cost. Reducing the power and latency of neural network inference is vital to integrating modern networks into…

Machine Learning · Computer Science 2022-01-24 Sangeetha Siddegowda , Marios Fournarakis , Markus Nagel , Tijmen Blankevoort , Chirag Patel , Abhijit Khobare

A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…

Quantum Physics · Physics 2025-05-14 Qing-Song Li , Jiaxuan Zhang , Huan-Yu Liu , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

Quantized Indexing is a fast and space-efficient form of enumerative (combinatorial) coding, the strongest among asymptotically optimal universal entropy coding algorithms. The present advance in enumerative coding is similar to that made…

Information Theory · Computer Science 2016-11-18 Ratko V. Tomic

We propose a machine learning based approach to accelerate quantum approximate optimization algorithm (QAOA) implementation which is a promising quantum-classical hybrid algorithm to prove the so-called quantum supremacy. In QAOA, a…

Emerging Technologies · Computer Science 2020-04-07 Mahabubul Alam , Abdullah Ash-Saki , Swaroop Ghosh