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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,…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

最优化与控制 · 数学 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…

统计力学 · 物理学 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…

量子物理 · 物理学 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…

统计方法学 · 统计学 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…

量子物理 · 物理学 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…

生物大分子 · 定量生物学 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…

机器学习 · 计算机科学 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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

人工智能 · 计算机科学 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…

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…

量子物理 · 物理学 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…

信息论 · 计算机科学 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…

新兴技术 · 计算机科学 2020-04-07 Mahabubul Alam , Abdullah Ash-Saki , Swaroop Ghosh