Quantum systems engineering

Abstract:

Variational quantum algorithms (VQAs) are increasingly being applied in simulations of strongly bound (covalently bonded) systems using full molecular orbital basis representations. The application of quantum computers to the weakly bound intermolecular and noncovalently bonded regime, however, has remained largely unexplored. In this work, we develop a coarse-grained representation of the electronic response that is ideally suited for determining the ground state of weakly interacting molecules using a VQA. We require qubit numbers that grow linearly with the number of molecules and derive scaling behavior for the number of circuits and measurements required, which compare favorably to traditional variational quantum eigensolver methods. We demonstrate our method on IBM superconducting quantum processors and show its capability to resolve the dispersion energy as a function of separation for a pair of nonpolar molecules—thereby establishing a means by which quantum computers can model Van der Waals interactions directly from zero-point quantum fluctuations. Within this coarse-grained approximation, we conclude that current-generation quantum hardware is capable of probing energies in this weakly bound but nevertheless chemically ubiquitous and biologically important regime. Finally, we perform experiments on simulated and real quantum computers for systems of three, four, and five oscillators as well as oscillators with anharmonic onsite binding potentials; the consequences of the latter are unexamined in large systems using classical computational methods but can be incorporated here with low computational overhead.

Abstract:

The resurgence of self-supervised learning, whereby a deep learning model generates its own supervisory signal from the data, promises a scalable way to tackle the dramatically increasing size of real-world data sets without human annotation. However, the staggering computational complexity of these methods is such that for state-of-the-art performance, classical hardware requirements represent a significant bottleneck to further progress. Here we take the first steps to understanding whether quantum neural networks (QNNs) could meet the demand for more powerful architectures and test its effectiveness in proof-of-principle hybrid experiments. Interestingly, we observe a numerical advantage for the learning of visual representations using small-scale QNN over equivalently structured classical networks, even when the quantum circuits are sampled with only 100 shots. Furthermore, we apply our best quantum model to classify unseen images on the ibmq_paris quantum computer and find that current noisy devices can already achieve equal accuracy to the equivalent classical model on downstream tasks.

Abstract:

Recent experimental progress in magnetic atoms and polar molecules has created the prospect of simulating dipolar Hubbard models with off-site interactions. When applied to real-space cylindrical optical lattices, these anisotropic dipole-dipole interactions acquire a tunable spatially dependent component while they remain translationally invariant in the axial direction, creating a sublattice structure in the azimuthal direction. We numerically study how the coexistence of these classes of interactions affects the ground state of hard-core dipolar bosons at half filling in a finite-size cylindrical optical lattice with octagonal rings. When these two interaction classes cooperate, we find a solid state where the density order is determined by the azimuthal sublattice structure and builds smoothly as the interaction strength increases. For dipole polarizations where the axial interactions are sufficiently repulsive, the repulsion competes with the sublattice structure, significantly increasing entanglement and creating two distinct ordered density patterns. The spatially varying interactions cause the emergence of these ordered states in small lattices as a function of interaction strength to be staggered according to the azimuthal sublattices.