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Generative quantum eigensolver (GQE) is a hybrid quantum-classical algorithm that iteratively trains a classical generative machine learning model such that the model can generate quantum circuits with desired properties such as…
Accurate numerical solutions for the Schr\"odinger equation are of utmost importance in quantum chemistry. However, the computational cost of current high-accuracy methods scales poorly with the number of interacting particles. Combining…
The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) is one of the most widely used algorithms for electronic structure calculations in quantum computers. It adaptively selects operators based on…
As a signal recovery algorithm, compressed sensing is particularly useful when the data has low-complexity and samples are rare, which matches perfectly with the task of quantum phase estimation (QPE). In this work we present a new…
Finding accurate ground state energy of a many-body system has been a major challenge in quantum chemistry. The integration of classic and quantum computers has shed new light on resolving this outstanding problem. Here we propose…
Variational quantum eigensolvers (VQEs) are one of the most important and effective applications of quantum computing, especially in the current noisy intermediate-scale quantum (NISQ) era. There are mainly two ways for VQEs:…
The VQE algorithm has turned out to be quite expensive to run given the way we currently access quantum processors (i.e. over the cloud). In order to alleviate this issue, we introduce Quantum Sampling Regression (QSR), an alternative…
Quantum annealing is getting increasing attention in combinatorial optimization. The quantum processing unit by D-Wave is constructed to approximately solve Ising models on so-called Chimera graphs. Ising models are equivalent to quadratic…
The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…
Adaptive variational quantum eigensolvers (ADAPT-VQEs) are promising candidates for simulations of strongly correlated systems on near-term quantum hardware. To further improve the noise resilience of these algorithms, recent efforts have…
In this study, we propose a new method for constrained combinatorial optimization using variational quantum circuits. Quantum computers are considered to have the potential to solve large combinatorial optimization problems faster than…
Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing. It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics. Here, we propose a…
This paper introduces a non-variational quantum algorithm designed to solve a wide range of combinatorial optimisation problems, including constrained and non-binary problems. The algorithm leverages an engineered interference process…
Quantum approximate optimization algorithm (QAOA) is one of the popular quantum algorithms that are used to solve combinatorial optimization problems via approximations. QAOA is able to be evaluated on both physical and virtual quantum…
Quantum annealing is a heuristic algorithm that solves combinatorial optimization problems, and D-Wave Systems Inc. has developed hardware implementation of this algorithm. However, in general, we cannot embed all the logical variables of a…
The optimization of Variational Quantum Eigensolver is severely challenged by finite-shot sampling noise, which distorts the cost landscape, creates false variational minima, and induces statistical bias called winner's curse. We…
The electron pair approximation offers a resource efficient variational quantum eigensolver (VQE) approach for quantum chemistry simulations on quantum computers. With the number of entangling gates scaling quadratically with system size…
This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…
We propose a quantum error mitigation strategy for the variational quantum eigensolver (VQE) algorithm. We find, via numerical simulation, that very small amounts of coherent noise in VQE can cause substantially large errors that are…
Determining the ground state of a many-body Hamiltonian is a central problem across physics, chemistry, and combinatorial optimization, yet it is often classically intractable due to the exponential growth of Hilbert space with system size.…