Fast and converged classical simulations of evidence for the utility of quantum computing before fault tolerance.

A recent quantum simulation of observables of the kicked Ising model on 127 qubits implemented circuits that exceed the capabilities of exact classical simulation. We show that several approximate classical methods, based on sparse Pauli dynamics and tensor network algorithms, can simulate these observables orders of magnitude faster than the quantum experiment and can also be systematically converged beyond the experimental accuracy. Our most accurate technique combines a mixed Schrödinger and Heisenberg tensor network representation with the Bethe free entropy relation of belief propagation to compute expectation values with an effective wave function-operator sandwich bond dimension >16,000,000, achieving an absolute accuracy, without extrapolation, in the observables of <0.01, which is converged for many practical purposes. We thereby identify inaccuracies in the experimental extrapolations and suggest how future experiments can be implemented to increase the classical hardness.

Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry.

Due to intense interest in the potential applications of quantum computing, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy estimation, for generic chemical problems where heuristic quantum state preparation might be assumed to be efficient. The availability of exponential quantum advantage then centers on whether features of the physical problem that enable efficient heuristic quantum state preparation also enable efficient solution by classical heuristics. Through numerical studies of quantum state preparation and empirical complexity analysis (including the error scaling) of classical heuristics, in both ab initio and model Hamiltonian settings, we conclude that evidence for such an exponential advantage across chemical space has yet to be found. While quantum computers may still prove useful for ground-state quantum chemistry through polynomial speedups, it may be prudent to assume exponential speedups are not generically available for this problem.

Using Hyperoptimized Tensor Networks and First-Principles Electronic Structure to Simulate the Experimental Properties of the Giant {Mn84} Torus.

The single-molecule magnet {Mn84} is a challenge to theory because of its high nuclearity. We directly compute two experimentally accessible observables, the field-dependent magnetization up to 75 T and the temperature-dependent heat capacity, using parameter-free theory. In particular, we use first-principles calculations to derive short- and long-range exchange interactions and compute the exact partition function of the resulting classical Potts and Ising spin models for all 84 Mn S = 2 spins to obtain observables. The latter computation is made possible by using hyperoptimized tensor network contractions, a technique developed to simulate quantum supremacy circuits. We also synthesize the magnet and measure its heat capacity and magnetization, observing qualitative agreement between theory and experiment and identifying an unusual bump in the heat capacity and a plateau in the magnetization. Our work also identifies some limitations of current theoretical modeling in large magnets, such as sensitivity to small, long-range exchange couplings.

Quantum Delocalized Interactions.

Classical mechanics obeys the intuitive logic that a physical event happens at a definite spatial point. Entanglement, however, breaks this logic by enabling interactions without a specific location. In this work we study these delocalized interactions. These are quantum interactions that create less locational information than would be possible classically, as captured by the disturbance induced on some spatial superposition state. We introduce quantum games to capture the effect and demonstrate a direct operational use for quantum concurrence in that it bounds the nonclassical performance gain. We also find a connection with quantum teleportation, and demonstrate the games using an IBM quantum processor.

Machine-Learning-Assisted Many-Body Entanglement Measurement.

Entanglement not only plays a crucial role in quantum technologies, but is key to our understanding of quantum correlations in many-body systems. However, in an experiment, the only way of measuring entanglement in a generic mixed state is through reconstructive quantum tomography, requiring an exponential number of measurements in the system size. Here, we propose a machine-learning-assisted scheme to measure the entanglement between arbitrary subsystems of size N_{A} and N_{B}, with O(N_{A}+N_{B}) measurements, and without any prior knowledge of the state. The method exploits a neural network to learn the unknown, nonlinear function relating certain measurable moments and the logarithmic negativity. Our procedure will allow entanglement measurements in a wide variety of systems, including strongly interacting many-body systems in both equilibrium and nonequilibrium regimes.