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Computer models are used as replacements for physical experiments in a large variety of applications. Nevertheless, direct use of the computer model for the ultimate scientific objective is often limited by the complexity and cost of the…
Algorithms based on non-unitary evolution have attracted much interest for ground state preparation on quantum computers. One recently proposed method makes use of ancilla qubits and controlled unitary operators to implement weak…
Variational Quantum Algorithms (VQAs) are among the most promising NISQ-era algorithms for harnessing quantum computing in diverse fields. However, the underlying optimization processes within these algorithms usually deal with local minima…
Recursive QAOA (RQAOA) solves combinatorial optimization problems by using shallow quantum circuits to estimate pairwise correlations and recursively eliminate variables until a classical solver can handle the residual instance. Each…
We introduce a variational algorithm to estimate the likelihood of a rare event within a nonequilibrium molecular dynamics simulation through the evaluation of an optimal control force. Optimization of a control force within a chosen basis…
The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…
Eigenstate preparation is ubiquitous in quantum computing, and a standard approach for generating the lowest-energy states of a given system is by employing adiabatic state preparation (ASP). In the present work, we investigate a…
The efficient management of energy communities relies on the solution of the "prosumer problem", i.e., the problem of scheduling the household loads on the basis of the user needs, the electricity prices, and the availability of local…
Stochastic multi-armed bandits are a sequential-decision-making framework, where, at each interaction step, the learner selects an arm and observes a stochastic reward. Within the context of best-arm identification (BAI) problems, the goal…
A broad class of hybrid quantum-classical algorithms known as "variational algorithms" have been proposed in the context of quantum simulation, machine learning, and combinatorial optimization as a means of potentially achieving a quantum…
In Variational Quantum Simulations, the construction of a suitable parametric quantum circuit is subject to two counteracting effects. The number of parameters should be small for the device noise to be manageable, but also large enough for…
Sampling from the equilibrium distribution has always been a major problem in molecular simulations due to the very high dimensionality of conformational space. Over several decades, many approaches have been used to overcome the problem.…
Optimizing risk measures such as Value-at-Risk (VaR) and Conditional Value-at-Risk (CVaR) of a general loss distribution is usually difficult, because 1) the loss function might lack structural properties such as convexity or…
Current quantum simulators suffer from multiple limitations such as short coherence time, noisy operations, faulty readout and restricted qubit connectivity in some platforms. Variational quantum algorithms are the most promising approach…
Variational Bayes (VB) inference is one of the most important algorithms in machine learning and widely used in engineering and industry. However, VB is known to suffer from the problem of local optima. In this Letter, we generalize VB by…
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…
Variational quantum-classical hybrid algorithms are seen as a promising strategy for solving practical problems on quantum computers in the near term. While this approach reduces the number of qubits and operations required from the quantum…
This paper studies the fixed-confidence best arm identification (BAI) problem in the bandit framework in the canonical single-parameter exponential models. For this problem, many policies have been proposed, but most of them require solving…
The quantum approximate optimization algorithm (QAOA) is known for its capability and universality in solving combinatorial optimization problems on near-term quantum devices. The results yielded by QAOA depend strongly on its initial…
We present an iterative optimal control method of quantum systems, aimed at an implementation of a desired operation with optimal fidelity. The update step of the method is based on the linear response of the fidelity to the control…