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Variational quantum algorithms (VQAs) are promising methods to demonstrate quantum advantage on near-term devices as the required resources are divided between a quantum simulator and a classical optimizer. As such, designing a VQA which is…

Quantum Physics · Physics 2022-05-20 Yuhan Huang , Qingyu Li , Xiaokai Hou , Rebing Wu , Man-Hong Yung , Abolfazl Bayat , Xiaoting Wang

The paradigm of variational quantum classifiers (VQCs) encodes \textit{classical information} as quantum states, followed by quantum processing and then measurements to generate classical predictions. VQCs are promising candidates for…

Quantum Physics · Physics 2023-08-01 Hideyuki Miyahara , Vwani Roychowdhury

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm for finding the minimum eigenvalue of a Hamiltonian that involves the optimization of a parameterized quantum circuit. Since the resulting optimization…

Quantum chemistry calculations such as the prediction of molecular properties and modeling of chemical reactions are a few of the critical areas where near-term quantum computers can showcase quantum advantage. We present a method to…

Quantum Physics · Physics 2022-04-06 Utkarsh Azad , Harjinder Singh

In recent years, the Variational Quantum Eigensolver (VQE) has emerged as one of the most popular algorithms for solving the electronic structure problem on near-term quantum computers. The utility of VQE is often hindered by the…

Quantum Physics · Physics 2026-02-04 M. R. Nirmal , Ankit Khandelwal , Manoj Nambiar , Sharma S. R. K. C. Yamijala

The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical…

The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the required circuit depth -- the number of applied…

Quantum Physics · Physics 2024-04-18 Erika Magnusson , Aaron Fitzpatrick , Stefan Knecht , Martin Rahm , Werner Dobrautz

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jinzhao Sun , Xiao Yuan , Han-Shi Hu , Hung Q. Pham , Dingshun Lv

Variational methods offer a highly promising route to exploiting quantum computers for chemistry tasks. Here we employ methods described in a sister paper to the present report, entitled ab initio machine synthesis of quantum circuits, in…

Quantum Physics · Physics 2023-08-09 Cica Gustiani , Richard Meister , Simon C. Benjamin

Variational quantum algorithms (VQAs) have shown strong evidences to gain provable computational advantages for diverse fields such as finance, machine learning, and chemistry. However, the heuristic ansatz exploited in modern VQAs is…

Hybrid variational quantum algorithms are promising for solving practical problems, such as combinatorial optimization, quantum chemistry simulation, quantum machine learning, and quantum error correction on noisy quantum computers.…

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

We report on two major hybrid applications of quantum computing, namely, the quantum approximate optimisation algorithm (QAOA) and the variational quantum eigensolver (VQE). Both are hybrid quantum classical algorithms as they require…

Quantum computing is emerging as a new computational paradigm with the potential to transform several research fields, including quantum chemistry. However, current hardware limitations (including limited coherence times, gate infidelities,…

Quantum simulators offer the potential to utilize the quantum nature of a physical system to study another physical system. In contrast to conventional simulation, which experiences an exponential increase in computational complexity,…

Quantum Physics · Physics 2024-07-24 Xuliang Du , Yang Shen , Zipeng Wu , Bei Zeng , Sen Yang

In this work, we propose the first quantum Ans\"atze for the statistical relational learning on knowledge graphs using parametric quantum circuits. We introduce two types of variational quantum circuits for knowledge graph embedding.…

Quantum Physics · Physics 2019-03-05 Yunpu Ma , Volker Tresp , Liming Zhao , Yuyi Wang

One promising application of near-term quantum devices is to prepare trial wavefunctions using short circuits for solving different problems via variational algorithms. For this purpose, we introduce a new circuit design that combines…

Quantum Physics · Physics 2025-01-24 Abhinav Anand , Kenneth R. Brown

Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…

Chemical Physics · Physics 2022-05-09 Dmitry A. Fedorov , Yuri Alexeev , Stephen K. Gray , Matthew Otten

Variational Quantum optimization algorithms, such as the Variational Quantum Eigensolver (VQE) or the Quantum Approximate Optimization Algorithm (QAOA), are among the most studied quantum algorithms. In our work, we evaluate and improve an…

Quantum Physics · Physics 2022-10-24 David Winderl , Nicola Franco , Jeanette Miriam Lorenz

The computation of electronic structure properties at the quantum level is a crucial aspect of modern physics research. However, conventional methods can be computationally demanding for larger, more complex systems. To address this issue,…

Quantum Physics · Physics 2023-12-05 Nouhaila Innan , Muhammad Al-Zafar Khan , Mohamed Bennai