No abstract

Recent results have demonstrated the successful applications of quantum-classical hybrid methods to train quantum circuits for a variety of machine learning tasks. A natural question to ask is consequentially whether we can also train such quantum circuits to discriminate quantum data, i.e., perform classification on data stored in form of quantum states. Although quantum mechanics fundamentally forbids deterministic discrimination of non-orthogonal states, we show in this work that it is possible to train a quantum circuit to discriminate such data with a trade-off between minimizing error rates and inconclusiveness rates of the classification tasks. Our approach achieves at the same time a performance which is close to the theoretically optimal values and a generalization ability to previously unseen quantum data. This generalization power hence distinguishes our work from previous circuit optimization results and furthermore provides an example of a quantum machine learning task that has inherently no classical analogue.

Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limiting the complexity of the molecules that can be studied or the accuracy of the results that can be obtained. Several quantum computing methods have been suggested to address this limitation. However, these typically have hardware requirements which may not be achieved in the near term. We propose a variational quantum machine learning based method to determine molecular excited states aiming at being as resilient as possible to the defects of early noisy intermediate scale quantum computers and demonstrate an implementation for H 2 on IBM Quantum Computers. Our method uses a combination of two parametrized quantum circuits, working in tandem, combined with a variational quantum eigensolver to iteratively find the eigenstates of a molecular Hamiltonian.