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arXiv:2002.07730 · Physical Review X

What Limits the Simulation of Quantum Computers?

Yiqing Zhou, E. Miles Stoudenmire, Xavier Waintal

Published Nov 23, 2020• 254 citations
arXivHTMLPDF

Abstract

An ultimate goal of quantum computing is to perform calculations beyond the reach of any classical computer.It is therefore imperative that useful quantum computers be very difficult to simulate classically, otherwise classical computers could be used for the applications envisioned for the quantum ones.Perfect quantum computers are unarguably exponentially difficult to simulate: the classical resources required grow exponentially with the number of qubits N or the depth D of the circuit.This difficulty has triggered recent experiments on deep, random circuits that aim to demonstrate that quantum devices may already perform tasks beyond the reach of classical computing.These real quantum computing devices, however, suffer from many sources of decoherence and imprecision which limit the degree of entanglement that can actually be reached to a fraction of its theoretical maximum.They are characterized by an exponentially decaying fidelity F ∼ ð1 -ϵÞ ND with an error rate ϵ per operation as small as ≈1% for current devices with several dozen qubits or even smaller for smaller devices.In this work, we provide new insight on the computing capabilities of real quantum computers by demonstrating that they can be simulated at a tiny fraction of the cost that would be needed for a perfect quantum computer.Our algorithms compress the representations of quantum wave functions using matrix product states, which are able to capture states with low to moderate entanglement very accurately.This compression introduces a finite error rate ϵ so that the algorithms closely mimic the behavior of real quantum computing devices.The computing time of our algorithm increases only linearly with N and D in sharp contrast with exact simulation algorithms.We illustrate our algorithms with simulations of random circuits for qubits connected in both one-and twodimensional lattices.We find that ϵ can be decreased at a polynomial cost in computing power down to a minimum error ϵ ∞ .Getting below ϵ ∞ requires computing resources that increase exponentially with ϵ ∞ =ϵ.For a two-dimensional array of N ¼ 54 qubits and a circuit with control-Z gates, error rates better than state-of-the-art devices can be obtained on a laptop in a few hours.For more complex gates such as a SWAP gate followed by a controlled rotation, the error rate increases by a factor 3 for similar computing time.Our results suggest that, despite the high fidelity reached by quantum devices, only a tiny fraction ð∼10 -8 Þ of the system Hilbert space is actually being exploited.

DOI
10.1103/physrevx.10.041038

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Quantum computation was envisioned by Feynman as a valuable means of solving quantum problems [1]. The question is, how do we prove the superiority of quantum computing over classical devices? A common misconception in describing the power of a quantum computer over a classical computer is that quantum bits can be prepared in a superposition of an exponential number of states, which cannot be achieved with classical bits. This statement is certainly true, but it does not tell us, specifically, what problems quantum computers can efficiently solve while classical computers fail to do so. In fact, based exactly on the technique of Feynman's path integral, the output (i.e. transition amplitude) of any quantum circuit can be calculated classically with a polynomial amount of memory (although the temporal cost would be exponential). Therefore any quantum computation can be simulated classically; the key question is about the efficiency. 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An ultimate goal of quantum computing is to perform calculations beyond the reach of any classical computer.It is therefore imperative that useful quantum computers be very difficult to simulate classically, otherwise classical computers could be used for the applications envisioned for the quantum ones.Perfect quantum computers are unarguably exponentially difficult to simulate: the classical resources required grow exponentially with the number of qubits N or the depth D of the circuit.This difficulty has triggered recent experiments on deep, random circuits that aim to demonstrate that quantum devices may already perform tasks beyond the reach of classical computing.These real quantum computing devices, however, suffer from many sources of decoherence and imprecision which limit the degree of entanglement that can actually be reached to a fraction of its theoretical maximum.They are characterized by an exponentially decaying fidelity F ∼ ð1 -ϵÞ ND with an error rate ϵ per operation as small as ≈1% for current devices with several dozen qubits or even smaller for smaller devices.In this work, we provide new insight on the computing capabilities of real quantum computers by demonstrating that they can be simulated at a tiny fraction of the cost that would be needed for a perfect quantum computer.Our algorithms compress the representations of quantum wave functions using matrix product states, which are able to capture states with low to moderate entanglement very accurately.This compression introduces a finite error rate ϵ so that the algorithms closely mimic the behavior of real quantum computing devices.The computing time of our algorithm increases only linearly with N and D in sharp contrast with exact simulation algorithms.We illustrate our algorithms with simulations of random circuits for qubits connected in both one-and twodimensional lattices.We find that ϵ can be decreased at a polynomial cost in computing power down to a minimum error ϵ ∞ .Getting below ϵ ∞ requires computing resources that increase exponentially with ϵ ∞ =ϵ.For a two-dimensional array of N ¼ 54 qubits and a circuit with control-Z gates, error rates better than state-of-the-art devices can be obtained on a laptop in a few hours.For more complex gates such as a SWAP gate followed by a controlled rotation, the error rate increases by a factor 3 for similar computing time.Our results suggest that, despite the high fidelity reached by quantum devices, only a tiny fraction ð∼10 -8 Þ of the system Hilbert space is actually being exploited.
Empirical evidence for a gap between the computational powers of classical and quantum computers has been provided by experiments that sample the output distributions of two-dimensional quantum circuits. Many attempts to close this gap have utilized classical simulations based on tensor network techniques, and their limitations shed light on the improvements to quantum hardware required to frustrate classical simulability. In particular, quantum computers having in excess of approximately 50 qubits are primarily vulnerable to classical simulation due to restrictions on their gate fidelity and their connectivity, the latter determining how many gates are required (and, therefore, how much infidelity is suffered) in generating highly entangled states. Here, we describe recent hardware upgrades to Quantinuum’s H2 quantum computer, enabling it to operate on up to 56 qubits with arbitrary connectivity and 99.843(5)% two-qubit gate fidelity. We define a class of circuits with random geometries that become hard to classically simulate in very low depth and implement them utilizing the flexible connectivity of H2. A careful analysis demonstrating the fast saturation of classical simulation complexity with depth indicates that H2 can yield data well beyond the reach of state-of-the art classical simulation methods at unprecedented fidelities. We find that the considerable difficulty of classically simulating H2 is likely limited only by qubit number, demonstrating the promise and scalability of the quantum charge-coupled device architecture as continued progress is made toward building larger machines.
Quantum computation was envisioned by Feynman as a valuable means of solving quantum problems [1]. The question is, how do we prove the superiority of quantum computing over classical devices? A common misconception in describing the power of a quantum computer over a classical computer is that quantum bits can be prepared in a superposition of an exponential number of states, which cannot be achieved with classical bits. This statement is certainly true, but it does not tell us, specifically, what problems quantum computers can efficiently solve while classical computers fail to do so. In fact, based exactly on the technique of Feynman's path integral, the output (i.e. transition amplitude) of any quantum circuit can be calculated classically with a polynomial amount of memory (although the temporal cost would be exponential). Therefore any quantum computation can be simulated classically; the key question is about the efficiency. Much effort has been made trying to pin down the power of quantum computers based on the machinery of the computational complexity theory. In particular, the class of computational (decision) problems that can be solved efficiently by a quantum computer is called BQP (bounded-error quantum polynomial time); the counterpart for classical computers is called P (polynomial time). Of course, BQP cannot be less than P; in principle quantum computers can simulate classical computers efficiently. The point is that the foundation of quantum computation cannot be established without a proof showing that BQP is strictly larger than P (i.e. BQP ≠ P). In this sense, this question is as interesting as the famous challenge of proving P ≠ NP (non-deterministic polynomial time). A well known instance of an NP problem is the factoring problem; Shor's quantum algorithm is capable of solving the factoring problem in polynomial time, which is not achievable with the best classical algorithm discovered so far. However, we still cannot rigorously exclude the possibility of the existence of an efficient classical algorithm for factoring. Although again without a proof, it is commonly believed that quantum computers are unable to solve some of the NP problems. In fact, the proof of this statement (if true) provides a possible path to prove P ≠ NP. A potentially less demanding question would be, when do we expect a quantum computer to be able to perform some well defined tasks (not necessarily related to any practical problem) that cannot be simulated with any currently available classical device, within a reasonable time? Once achieved, the status is called ‘quantum supremacy' [2]. One may ask, what about Grover's search algorithm, which provides a quadratic speedup over the classical search? Can we say that we can already achieve quantum supremacy with Grover's algorithm? The problem is that, instead of taking the large-N limit, quantum supremacy requires us to determine the actual number of qubits and gates that can no longer be simulated by classical computers within a reasonable time. To elaborate further, we remark that there can be two notions of classical simulation, namely ‘strong simulation' versus ‘weak simulation'. Strong simulation refers to the cases of calculating the transition probabilities, or expectation values of observables, to a high accuracy in polynomial time. Weak simulation requires the probability distributions to be accurately reproduced, which involves ‘sampling' the different outcomes of the quantum devices. Some quantum circuits that cannot be strongly simulated with an efficient classical means may have efficient classical methods for weak simulation [3]. However, we should be careful about the accuracy requirement in the simulation tasks. For example, for many decision problems, it may be sufficient to determine the transition amplitudes to within an additive error, instead of multiplicative error. In other words, the classical simulability of quantum computational problems depends on the accuracy requirement. Currently, there are three popular approaches for achieving quantum supremacy (see Fig. 1), namely (i) boson sampling [4], (ii) sampling IQP (instantaneous quantum polynomial) circuits [5], and (iii) sampling chaotic quantum circuits [6]. In all of these approaches, distributions of different bit strings or photon numbers are sampled from the quantum devices. Furthermore, they all involve the assumption that classical computers are unable to efficiently determine the transition amplitudes, and/or reproduce (or approximate) the distributions of quantum devices performing these tasks, in the sense of both strong and weak simulations. Three different approaches for achieving quantum supremacy: (a) boson sampling; (b) IQP circuits; (c) chaotic quantum circuits. In boson sampling, single photons are injected into different modes of a linear optical network. The task is to determine the photon distributions at the output ports. The key feature of boson sampling is that the transition amplitudes are related to the permanents of complex matrices, which are in general very difficult to calculate exactly, or approximate to within an multiplicative error; these problems belong to the #P-hard complexity class. Moreover, efficient weak simulation of boson sampling is believed to be impossible, unless the polynomial hierarchy collapses to its third level. However, a recent numerical study suggests that, in order to achieve quantum supremacy with boson sampling, one needs to simultaneously generate at least 50 or more single photons, which is still highly technologically challenging. An interesting question is whether linear optics, in the setting of boson sampling, can be applied to solve decision problems. In this case, the transition amplitudes may need to be determined to an additive error. However, we found that a large class of decision problems associated with boson sampling can be simulated by a classical computer [7], settling an open problem [8] by Aaronson and Hance. IQP circuits represent a simplified quantum-circuit model. The initial state starts from the all-zero state, |000…0〉, followed by applying Hadamard gates to each qubit. Then, diagonal gates are applied to the qubits, followed by applying Hadamard gates to each qubit again. The argument of showing the complexity in simulating IQP circuits is similar to that of boson sampling. In fact, the complexity of boson sampling was inspired by the complexity results of IQP circuits. However, when subject to noise, IQP circuits may become classically simulable [9]. Lastly, chaotic quantum circuits refer to the class of quantum circuits where two-qubit gates are applied regularly, while single-qubit gates are applied randomly from a gate set. The output distributions of these circuits approach the so-called Porter–Thomas distribution, which is a characteristic feature of quantum chaos. Recently, there have been several numerical investigations aiming to explore the ultimate limit of classical computing in simulating low-depth quantum circuits. For the ideal cases, one needs to consider both the qubit number and circuit depth for benchmarking quantum supremacy. However, in the presence of noise, these chaotic circuits may also become classically simulable for high-depth circuits [10]. Finally, other than these three approaches, one should expect that quantum supremacy can be achieved for many practical applications, e.g. simulation of quantum chemistry or quantum machine learning. When will it happen? Only time will tell!
The advent of quantum computers promises exponential speed ups in the execution of various computational tasks. While their capabilities are hindered by quantum decoherence, they can be exactly simulated on classical hardware at the cost of an exponential scaling in terms of number of qubits. To circumvent this, quantum states can be represented as matrix product states (MPS), a product of tensors separated by so-called bond dimensions. Limiting bond dimensions growth approximates the state, but also limits its ability to represent entanglement. Methods based on this representation have been the most popular tool at simulating large quantum systems. But how to trust resulting approximate quantum states for such intractable systems sizes ? I propose here a method for inferring the fidelity of an approximate quantum state without direct comparison to its exact counterpart, and use it to design an ``entanglement-aware'' (EA) algorithm for both pure and mixed states. As opposed to state of the art methods which limit bond dimensions up to an arbitrary maximum value, this algorithm receives as input a fidelity, and adapts dynamically its bond dimensions to both local entanglement and noise such that the final quantum state fidelity at least reaches the input fidelity. I show that this algorithm far surpasses standard fixed bond dimension truncation schemes. In particular, a noiseless random circuit of 300 qubits and depth 75 simulated using MPS methods takes one week of computation time, while EA-MPS only needs 2 hours to reach similar quantum state fidelity.
A central question of quantum computing is determining the source of the advantage of quantum computation over classical computation.Even though simulating quantum dynamics on a classical computer is thought to require exponential overhead in the worst case, efficient simulations are known to exist in several special cases.It was widely assumed that these easy-to-simulate cases as well as any yetundiscovered ones could be avoided by choosing a quantum circuit at random.We prove that this intuition is false by showing that certain families of constant-depth, 2D random circuits can be approximately simulated on a classical computer in time only linear in the number of qubits and gates, even though the same families are capable of universal quantum computation and are hard to exactly simulate in the worst case (under standard hardness assumptions).While our proof applies to specific random circuit families, we demonstrate numerically that typical instances of more general families of sufficiently shallow constantdepth 2D random circuits are also efficiently simulable.We propose two classical simulation algorithms.One is based on first simulating spatially local regions which are then "stitched" together via recovery maps.The other reduces the 2D simulation problem to a problem of simulating a form of 1D dynamics consisting of alternating rounds of random local unitaries and weak measurements.Similar processes have recently been the subject of an intensive research focus, which has observed that the dynamics generally undergo a phase transition from a low-entanglement (and efficient-to-simulate) regime to a highentanglement (and inefficient-to-simulate) regime as measurement strength is varied.Via a mapping from random quantum circuits to classical statistical mechanical models, we give analytical evidence that a similar computational phase transition occurs for both of our algorithms as parameters of the circuit architecture like the local Hilbert space dimension and circuit depth are varied and, additionally, that the effective 1D dynamics corresponding to sufficiently shallow random quantum circuits falls within the efficient-to-simulate regime.Implementing the latter algorithm for the depth-3 "brickwork" architecture, for which exact simulation is hard, we find that a laptop could simulate typical instances on a 409 × 409 grid with a total variation distance error less than 0.01 in approximately one minute per sample, a task intractable for previously known circuit simulation algorithms.Numerical results support our analytic evidence that the algorithm is asymptotically efficient.
Quantum computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. Access to a computational space that incorporates quantum effects, such as superposition and entanglement, enables the derivation of promising quantum algorithms for important tasks, including preparing the ground state of a quantum system or predicting its evolution over time. Successfully tackling these tasks promises insights into significant theoretical and technological questions, such as superconductivity and the design of new materials. The aim of quantum algorithms is to use a series of quantum operations in a quantum circuit to solve a problem beyond the reach of classical computers. However, the noise and limited scale of current quantum computers restricts these circuits to moderate sizes and depths. As a result, many prominent algorithms are currently infeasible to run for problem sizes of practical interest. In response, recent research focused on variational quantum algorithms, which allow the selection of circuits that act within a quantum device's capabilities. Yet, these algorithms can require the execution of a large number of circuits, leading to prohibitively long computation times. This doctoral thesis develops two main techniques to reduce these quantum computational resource requirements, with the goal of scaling up application sizes on current quantum processors. The first approach is based on stochastic approximations of computationally costly quantities, such as quantum circuit gradients or the quantum geometric tensor (QGT). The second method takes a different perspective on the QGT, leading to a potentially more efficient description of time evolution on current quantum computers. Both techniques rely on maintaining available information and only computing necessary corrections, instead of re-computing possibly redundant data. The main focus of application for our algorithms is the simulation of quantum systems, broadly defined as including the preparation of ground and thermal states, and the real- and imaginary-time propagation of a system. The developed subroutines, however, can further be utilized in the fields of optimization or machine learning. Our algorithms are benchmarked on a range of representative models, such as Ising or Heisenberg spin models, both in numerical simulations and experiments on the hardware. In combination with error mitigation techniques, the latter is scaled up to 27 qubits; into a regime that variational quantum algorithms are challenging to scale to on noisy quantum computers without our algorithms.
Quantum simulation is a prominent application of quantum computers. While there is extensive previous work on simulating finite-dimensional systems, less is known about quantum algorithms for real-space dynamics. We conduct a systematic study of such algorithms. In particular, we show that the dynamics of a d -dimensional Schrödinger equation with η particles can be simulated with gate complexity O~(ηdFpoly(log⁡(g′/ϵ))) , where ϵ is the discretization error, g′ controls the higher-order derivatives of the wave function, and F measures the time-integrated strength of the potential. Compared to the best previous results, this exponentially improves the dependence on ϵ and g′ from poly(g′/ϵ) to poly(log⁡(g′/ϵ)) and polynomially improves the dependence on T and d , while maintaining best known performance with respect to η . For the case of Coulomb interactions, we give an algorithm using η3(d+η)Tpoly(log⁡(ηdTg′/(Δϵ)))/Δ one- and two-qubit gates, and another using η3(4d)d/2Tpoly(log⁡(ηdTg′/(Δϵ)))/Δ one- and two-qubit gates and QRAM operations, where T is the evolution time and the parameter Δ regulates the unbounded Coulomb interaction. We give applications to several computational problems, including faster real-space simulation of quantum chemistry, rigorous analysis of discretization error for simulation of a uniform electron gas, and a quadratic improvement to a quantum algorithm for escaping saddle points in nonconvex optimization.