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We propose a variational approach for preparing entangled quantum states on quantum computers. The methodology involves training a unitary operation to match with a target unitary using the Fubini-Study distance as a cost function. We…
Many appplications in computational science are sufficiently compute-intensive that they depend on the power of parallel computing for viability. For all but the "embarrassingly parallel" problems, the performance depends upon the level of…
As there is no quantum error correction code with universal set of transversal gates, several approaches have been proposed which, in combination of transversal gates, make universal fault-tolerant quantum computation possible. Magic state…
While variational quantum algorithms (VQAs) have demonstrated considerable success in unconstrained optimization, their application to constrained combinatorial problems face a trade-off. Penalty-based methods, despite their circuit…
Ansatz selection is a key factor in the performance of variational quantum algorithms (VQAs). While much of the state-of-the-art still relies on heuristic choices, an inadequate circuit structure can compromise both the expressive power and…
Adaptive construction of ansatz circuits offers a promising route towards applicable variational quantum eigensolvers on near-term quantum hardware. Those algorithms aim to build up optimal circuits for a certain problem and ansatz circuits…
We propose a unified mixture sampler (UMS) that provides a universal estimation framework for nonlinear state-space models with "exp-exp" likelihood kernels. Unlike existing methods that require deriving new mixture approximations for each…
Machine-learning models of atomic-scale interactions achieve the accuracy of the quantum mechanical calculations on which they are trained, but at a dramatically lower computational cost. Their predictions can be made trustworthy by…
The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as the errors induced by device noise. Here we investigate the…
Sampling from a probability distribution is a core task in many quantum and classical algorithms. Variational quantum circuits provide a natural approach to generating such distributions, as measurement outcomes directly define the…
Power systems Unit Commitment (UC) problem determines the generator commitment schedule and dispatch decisions to realize the reliable and economic operation of power networks. The growing penetration of stochastic renewables and demand…
Measurement-based quantum computation (MBQC) is a framework for quantum information processing in which a computational task is carried out through one-qubit measurements on a highly entangled resource state. Due to the indeterminacy of the…
In this paper, we have developed a unitary variant of a double exponential coupled cluster theory, which is capable of mimicking the effects of connected excitations of arbitrarily high rank, using only rank-one and rank-two parametrization…
Hardware-efficient empirical variational ans\"atze for Variational Quantum Eigensolver simulations of Quantum Chemistry suffer from the lack of a direct connection to classical Quantum Chemistry methods. In the present work, we propose a…
Efficiently calculating the low-lying eigenvalues of Hamiltonians, written as sums of Pauli operators, is a fundamental challenge in quantum computing. While various methods have been proposed to reduce the complexity of quantum circuits…
Atomistic-to-Continuum (AtC) coupling methods are a novel means of computing the properties of a discrete crystal structure, such as those containing defects, that combine the accuracy of an atomistic (fully discrete) model with the…
Recent quantum algorithms pertaining to electronic structure theory primarily focus on threshold-based dynamic construction of ansatz by selectively including important many-body operators. These methods can be made systematically more…
The exact evaluation of the molecular ground state in quantum chemistry requires an exponentially increasing computational cost. Quantum computation is a promising way to overcome the exponential problem using polynomial-time quantum…
Adaptive sample size re-estimation, early stopping, and trial re-design at interim analyses can reduce expected sample sizes in randomised trials. Cluster randomised trials, in which groups of participants are randomly allocated to…
We study the costs and benefits of different quantum approaches to finding approximate solutions of constrained combinatorial optimization problems with a focus on Maximum Independent Set. In the Lagrange multiplier approach we analyze the…