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Register a new userA Quantum Hamiltonian Simulation Benchmark
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Hamiltonian simulation is one of the most important problems in quantum computation, and quantum singular value transformation (QSVT) is an efficient way to simulate a general class of Hamiltonians. However, the QSVT circuit typically involves multiple ancilla qubits and multi-qubit control gates. We propose a drastically simplified quantum circuit called the minimal QSVT circuit, which uses only one ancilla qubit to simulate a class of $n$-qubit random Hamiltonians. We formulate a simple metric called the quantum unitary evolution score (QUES), which is a scalable quantum benchmark and can be verified without any need for classical computation. We demonstrate that QUES is directly related to the circuit fidelity, and the classical hardness of an associated quantum circuit sampling problem. Theoretical analysis suggests under suitable assumptions, there exists an optimal simulation time $t^{text{opt}}approx 4.81$, at which even a noisy quantum device may be sufficient to demonstrate the classical hardness.
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We study how parallelism can speed up quantum simulation. A parallel quantum algorithm is proposed for simulating the dynamics of a large class of Hamiltonians with good sparse structures, called uniform-structured Hamiltonians, including various Hamiltonians of practical interest like local Hamiltonians and Pauli sums. Given the oracle access to the target sparse Hamiltonian, in both query and gate complexity, the running time of our parallel quantum simulation algorithm measured by the quantum circuit depth has a doubly (poly-)logarithmic dependence $operatorname{polylog}log(1/epsilon)$ on the simulation precision $epsilon$. This presents an exponential improvement over the dependence $operatorname{polylog}(1/epsilon)$ of previous optimal sparse Hamiltonian simulation algorithm without parallelism. To obtain this result, we introduce a novel notion of parallel quantum walk, based on Childs quantum walk. The target evolution unitary is approximated by a truncated Taylor series, which is obtained by combining these quantum walks in a parallel way. A lower bound $Omega(log log (1/epsilon))$ is established, showing that the $epsilon$-dependence of the gate depth achieved in this work cannot be significantly improved. Our algorithm is applied to simulating three physical models: the Heisenberg model, the Sachdev-Ye-Kitaev model and a quantum chemistry model in second quantization. By explicitly calculating the gate complexity for implementing the oracles, we show that on all these models, the total gate depth of our algorithm has a $operatorname{polylog}log(1/epsilon)$ dependence in the parallel setting.
The ability to simulate a fermionic system on a quantum computer is expected to revolutionize chemical engineering, materials design, nuclear physics, to name a few. Thus, optimizing the simulation circuits is of significance in harnessing the power of quantum computers. Here, we address this problem in two aspects. In the fault-tolerant regime, we optimize the $rzgate$ and $tgate$ gate counts along with the ancilla qubit counts required, assuming the use of a product-formula algorithm for implementation. We obtain a savings ratio of two in the gate counts and a savings ratio of eleven in the number of ancilla qubits required over the state of the art. In the pre-fault tolerant regime, we optimize the two-qubit gate counts, assuming the use of the variational quantum eigensolver (VQE) approach. Specific to the latter, we present a framework that enables bootstrapping the VQE progression towards the convergence of the ground-state energy of the fermionic system. This framework, based on perturbation theory, is capable of improving the energy estimate at each cycle of the VQE progression, by about a factor of three closer to the known ground-state energy compared to the standard VQE approach in the test-bed, classically-accessible system of the water molecule. The improved energy estimate in turn results in a commensurate level of savings of quantum resources, such as the number of qubits and quantum gates, required to be within a pre-specified tolerance from the known ground-state energy. We also explore a suite of generalized transformations of fermion to qubit operators and show that resource-requirement savings of up to more than $20%$, in small instances, is possible.
We revisit quantum phase estimation algorithms for the purpose of obtaining the energy levels of many-body Hamiltonians and pay particular attention to the statistical analysis of their outputs. We introduce the mean phase direction of the parent distribution associated with eigenstate inputs as a new post-processing tool. By connecting it with the unknown phase, we find that if used as its direct estimator, it exceeds the accuracy of the standard majority rule using one less bit of resolution, making evident that it can also be inverted to provide unbiased estimation. Moreover, we show how to directly use this quantity to accurately find the energy levels when the initialized state is an eigenstate of the simulated propagator during the whole time evolution, which allows for shallower algorithms. We then use IBM Q hardware to carry out the digital quantum simulation of three toy models: a two-level system, a two-spin Ising model and a two-site Hubbard model at half-filling. Methodologies are provided to implement Trotterization and reduce the variability of results in noisy intermediate scale quantum computers.
We present a quantum algorithm for the dynamical simulation of time-dependent Hamiltonians. Our method involves expanding the interaction-picture Hamiltonian as a sum of generalized permutations, which leads to an integral-free Dyson series of the time-evolution operator. Under this representation, we perform a quantum simulation for the time-evolution operator by means of the linear combination of unitaries technique. We optimize the time steps of the evolution based on the Hamiltonians dynamical characteristics, leading to a gate count that scales with an $L^1$-norm-like scaling with respect only to the norm of the interaction Hamiltonian, rather than that of the total Hamiltonian. We demonstrate that the cost of the algorithm is independent of the Hamiltonians frequencies, implying its advantage for systems with highly oscillating components, and for time-decaying systems the cost does not scale with the total evolution time asymptotically. In addition, our algorithm retains the near optimal $log(1/epsilon)/loglog(1/epsilon)$ scaling with simulation error $epsilon$.
Product formula approximations of the time-evolution operator on quantum computers are of great interest due to their simplicity, and good scaling with system size by exploiting commutativity between Hamiltonian terms. However, product formulas exhibit poor scaling with the time $t$ and error $epsilon$ of simulation as the gate cost of a single step scales exponentially with the order $m$ of accuracy. We introduce well-conditioned multiproduct formulas, which are a linear combination of product formulas, where a single step has polynomial cost $mathcal{O}(m^2log{(m)})$ and succeeds with probability $Omega(1/operatorname{log}^2{(m)})$. Our multiproduct formulas imply a simple and generic simulation algorithm that simultaneously exploits commutativity in arbitrary systems and has a worst-case cost $mathcal{O}(tlog^{2}{(t/epsilon)})$ which is optimal up to poly-logarithmic factors. In contrast, prior Trotter and post-Trotter Hamiltonian simulation algorithms realize only one of these two desirable features. A key technical result of independent interest is our solution to a conditioning problem in previous multiproduct formulas that amplified numerical errors by $e^{Omega(m)}$ in the classical setting, and led to a vanishing success probability $e^{-Omega(m)}$ in the quantum setting.
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