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Machine-learned interatomic potentials (MLIPs) are revolutionizing computational materials science and chemistry by offering an efficient alternative to {\em ab initio} molecular dynamics (MD) simulations. However, fitting high-quality…

Computational Physics · Physics 2025-12-12 Ilgar Baghishov , Jan Janssen , Graeme Henkelman , Danny Perez

The quantum circuit layout (QCL) problem is to map a quantum circuit such that the constraints of the device are satisfied. We introduce a quantum circuit mapping heuristic, QXX, and its machine learning version, QXX-MLP. The latter infers…

Quantum Physics · Physics 2022-09-27 Alexandru Paler , Lucian M. Sasu , Adrian Florea , Razvan Andonie

It is essential to select efficient topology of parameterized quantum circuits (PQCs) in variational quantum algorithms (VQAs). However, there are problems in current circuits, i.e. optimization difficulties caused by too many parameters or…

Quantum Physics · Physics 2023-08-22 Wenjie Liu , Qingshan Wu

We present superconducting quantum circuits which exhibit atomic energy spectrum and selection rules as ladder and lambda three-level configurations designed by means of genetic algorithms. These heuristic optimization techniques are…

Quantum Physics · Physics 2025-06-17 F. A. Cárdenas-López , J. C. Retamal , Xi Chen , G. Romero , M. Sanz

For quantum algorithms for problems in which the task is to compute an entire field of values, like e.g. computational fluid dynamics (CFD), it is often proposed amplitude encoding w.r.t. multiple qubits; however, the efforts implied by it…

Quantum Physics · Physics 2026-04-08 Hans A. Kösel , Roland Ewert , Jan W. Delfs

Quantum machine learning has the potential to provide powerful algorithms for artificial intelligence. The pursuit of quantum advantage in quantum machine learning is an active area of research. For current noisy, intermediate-scale quantum…

Quantum Physics · Physics 2023-05-11 Rui Yang , Samuel Bosch , Bobak Kiani , Seth Lloyd , Adrian Lupascu

Parameterized quantum circuits play a key role for the development of quantum variational algorithms in the realm of the NISQ era. Knowing their actual capability of performing different kinds of tasks is then of the utmost importance. By…

Quantum Physics · Physics 2024-05-31 Guilherme Ilário Correr , Pedro C. Azado , Diogo O. Soares-Pinto , Gabriel Carlo

Variational quantum circuits characterise the state of a quantum system through the use of parameters that are optimised using classical optimisation procedures that typically rely on gradient information. The circuit-execution complexity…

Quantum Physics · Physics 2023-07-28 Sayantan Pramanik , Chaitanya Murti , M Girish Chandra

Quantum Machine Learning (QML) offers tremendous potential but is currently limited by the availability of qubits. We introduce an innovative approach that utilizes pre-trained neural networks to enhance Variational Quantum Circuits (VQC).…

Machine Learning · Computer Science 2024-11-14 Jun Qi , Chao-Han Yang , Samuel Yen-Chi Chen , Pin-Yu Chen , Hector Zenil , Jesper Tegner

We propose a technique for optimizing parameterized circuits in variational quantum algorithms based on the probabilistic tensor sampling optimization. This method allows one to relax random initialization issues or heuristics for…

Quantum Physics · Physics 2024-02-01 G. V. Paradezhenko , A. A. Pervishko , D. Yudin

Parametrised quantum circuits contain phase gates whose phase is determined by a classical algorithm prior to running the circuit on a quantum device. Such circuits are used in variational algorithms like QAOA and VQE. In order for these…

Quantum Physics · Physics 2025-08-27 John van de Wetering , Richie Yeung , Tuomas Laakkonen , Aleks Kissinger

The feasibility of variational quantum algorithms, the most popular correspondent of neural networks on noisy, near-term quantum hardware, is highly impacted by the circuit depth of the involved parametrized quantum circuits (PQCs). Higher…

Machine Learning · Computer Science 2024-11-01 Philipp Schleich , Marta Skreta , Lasse B. Kristensen , Rodrigo A. Vargas-Hernández , Alán Aspuru-Guzik

Variational quantum algorithms (VQAs) have recently received significant attention from the research community due to their promising performance in Noisy Intermediate-Scale Quantum computers (NISQ). However, VQAs run on parameterized…

Quantum Physics · Physics 2022-05-06 Zeyi Tao , Jindi Wu , Qi Xia , Qun Li

Variational quantum approaches have shown great promise in finding near-optimal solutions to computationally challenging tasks. Nonetheless, enforcing constraints in a disciplined fashion has been largely unexplored. To address this gap,…

Quantum Physics · Physics 2024-04-30 Thinh Viet Le , Vassilis Kekatos

Quantum computing is an emerging technology in which quantum mechanical properties are suitably utilized to perform certain compute-intensive operations faster than classical computers. Quantum algorithms are designed as a combination of…

Emerging Technologies · Computer Science 2023-06-06 Aravind Joshi , Akshara Kairali , Renju Raju , Adithya Athreya , Reena Monica P , Sanjay Vishwakarma , Srinjoy Ganguly

Quantum annealing is a heuristic optimization algorithm that exploits quantum evolution to approximately find lowest energy states. Quantum annealers have scaled up in recent years to tackle increasingly larger and more highly connected…

Quantum Physics · Physics 2025-07-04 Humberto Munoz Bauza , Daniel A. Lidar

Given the limitations of current hardware, the theoretical gains promised by quantum computing remain unrealized across practical applications. But the gap between theory and hardware is closing, assisted by developments in quantum…

Quantum Physics · Physics 2023-10-30 Elena R. Henderson , Harsha Nagarajan , Carleton Coffrin

We develop an adaptive method for quantum state preparation that utilizes randomness as an essential component and that does not require classical optimization. Instead, a cost function is minimized to prepare a desired quantum state…

Quantum Physics · Physics 2023-10-10 Alicia B. Magann , Sophia E. Economou , Christian Arenz

The advantages of quantum pulses over quantum gates have attracted increasing attention from researchers. Quantum pulses offer benefits such as flexibility, high fidelity, scalability, and real-time tuning. However, while there are…

In the noisy intermediate-scale quantum era, variational quantum algorithms (VQAs) have emerged as a promising avenue to obtain quantum advantage. However, the success of VQAs depends on the expressive power of parameterised quantum…

Quantum Physics · Physics 2024-05-15 Yingli Yang , Zongkang Zhang , Anbang Wang , Xiaosi Xu , Xiaoting Wang , Ying Li
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