With quantum computers of significant size now on the horizon, we should understand how to best exploit their initially limited abilities. To this end, we aim to identify a practical problem that is beyond the reach of current classical computers, but that requires the fewest resources for a quantum computer. We consider quantum simulation of spin systems, which could be applied to understand condensed matter phenomena. We synthesize explicit circuits for three leading quantum simulation algorithms, using diverse techniques to tighten error bounds and optimize circuit implementations. Quantum signal processing appears to be preferred among algorithms with rigorous performance guarantees, whereas higher-order product formulas prevail if empirical error estimates suffice. Our circuits are orders of magnitude smaller than those for the simplest classically infeasible instances of factoring and quantum chemistry, bringing practical quantum computation closer to reality.
With quantum computers of significant size now on the horizon, we should understand how to best exploit their initially limited abilities. To this end, we aim to identify a practical problem that is beyond the reach of current classical computers, but that requires the fewest resources for a quantum computer. We consider quantum simulation of spin systems, which could be applied to understand condensed matter phenomena. We synthesize explicit circuits for three leading quantum simulation algorithms, using diverse techniques to tighten error bounds and optimize circuit implementations. Quantum signal processing appears to be preferred among algorithms with rigorous performance guarantees, whereas higher-order product formulas prevail if empirical error estimates suffice. Our circuits are orders of magnitude smaller than those for the simplest classically infeasible instances of factoring and quantum chemistry, bringing practical quantum computation closer to reality.
Simulating the Hamiltonian dynamics of quantum systems is one of the most promising applications of digital quantum computers. In this dissertation, we develop an understanding of quantum simulation algorithms concerning their design, analysis, implementation, and application. We implement three leading simulation algorithms, employing diverse techniques to tighten their error analyses and optimize circuit implementations. We produce concrete resource estimates for simulating a Heisenberg spin system, a problem arising in condensed matter physics that is otherwise difficult to solve on a classical computer. The resulting circuits are orders of magnitude smaller than those for the simplest classically-infeasible instances of factoring and quantum chemistry, suggesting the simulation of spin systems as a promising candidate for an early demonstration of practical quantum computation. We design new simulation algorithms by using classical randomness. We show that by simply randomizing how the terms in the Hamiltonian are ordered, one can prove stronger bounds for product formulas and thereby give more efficient quantum simulations. We also develop a classical sampler for time-dependent Hamiltonians, using which we give a simulation algorithm that substantially improves over previous approaches when the Hamiltonian varies significantly with time. We propose a general theory to analyzing product formulas, an approach to quantum simulation widely used in experimental demonstrations but whose error scaling was poorly understood. Our approach directly exploits the commutativity of Hamiltonian, overcoming the limitations of prior error analyses. We prove new speedups of product formulas for simulating many quantum systems, including simulations of nearest-neighbor lattice systems, second-quantized plane-wave electronic structure, k-local Hamiltonians, rapidly decaying power-law interactions, and clustered Hamiltonians, nearly matching or even outperforming the best previous results in quantum simulation. We accompany our analysis with numerical calculation, which suggests that the bounds also have nearly tight constant prefactors. We identify applications of quantum simulation to designing other quantum algorithms and improving quantum Monte Carlo methods. We develop an algorithmic framework ``quantum singular value transformation'' using techniques from quantum simulation and apply it to implement principal component regression. We also apply our new analysis of product formulas and obtain improved quantum Monte Carlo simulations of the transverse field Ising model and quantum ferromagnets.
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.
With quantum computers on the horizon, it is essential to understand what problems they can be used to solve. One potential application is simulating quantum systems, in particular, systems with many interacting electrons. However, there is a disparity between the computational resources required to study these problems and the capabilities of modern experimental quantum devices. In this thesis, we make progress toward closing this gap by reducing the cost of quantum simulation of quantum chemistry on a number of fronts. In the first half, we develop three improved quantum simulation algorithms by approximating time evolution under the Hamiltonian using a truncated Taylor series rather than the Trotter-Suzuki decomposition. We do this first for the molecular electronic structure Hamiltonian in two representations, obtaining asymptotic improvements in terms of both the number of orbitals and the required precision. We also apply the truncated Taylor series paradigm to quantum simulation in real space, where we consider simulation of general wave functions discretized on a uniform grid. In the second half, by working with Hamiltonians tailored specifically to quantum algorithms, we demonstrate that Trotter steps of the electronic structure Hamiltonian can be simulated in exactly N depth and with only linear connectivity, where N is the number of spin-orbitals. This resolves the problem of non-locality in fermion-to-qubit mappings, and has wide-ranging applications for variational and phase estimation-based quantum simulation of quantum chemistry. We further study this algorithm on an error-corrected quantum computer using the surface code. Benchmarking it alongside other product formula approaches, we show that quantum simulation of scientifically important instances of the electronic structure problem that are classically intractable can be performed with only a few hundred thousand physical qubits and fewer than one billion costly fault-tolerant gates. Finally, we study the effect of using randomized Hamiltonians in iterative phase estimation, and how this allows us to reduce the costs of simulation as well as to exploit knowledge of the ground state in how we design our simulation algorithm.
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.
Transport phenomena play a key role in a variety of application domains, and efficient simulation of these dynamics remains an outstanding challenge. While quantum computers offer potential for significant speedups, existing algorithms either lack rigorous theoretical guarantees or demand substantial quantum resources, preventing scalable and efficient validation on realistic quantum hardware. To address this gap, we develop a comprehensive framework for simulating classes of transport equations, offering both rigorous theoretical guarantees -- including exponential speedups in specific cases -- and a systematic, hardware-efficient implementation. Central to our approach is the Hamiltonian embedding technique, a white-box approach for end-to-end simulation of sparse Hamiltonians that avoids abstract query models and retains near-optimal asymptotic complexity. Empirical resource estimates indicate that our approach can yield an order-of-magnitude (e.g., 42×) reduction in circuit depth given favorable problem structures. We then apply our framework to solve linear and nonlinear transport PDEs, including the first experimental demonstration of a 2D advection equation on a trapped-ion quantum computer.
Quantum computation is by far the most powerful computational model allowed by the laws of physics. By carefully manipulating microscopic systems governed by quantum mechanics, one can efficiently solve computational problems that may be classically intractable; on the contrary, such speed-ups are rarely possible without the help of classical computation, since most quantum algorithms heavily rely on subroutines that are purely classical. A better understanding of the relationship between classical and quantum computation is indispensable, in particular in an era where the first quantum device exceeding classical computational power is within reach. In the first part of the thesis, we study some differences between classical and quantum computation. We first show that quantum cryptographic hashing is maximally resilient against classical leakage, a property beyond reach for any classical hash function. Next, we consider the limitation of strong (amplitude-wise) simulation of quantum computation. We prove an unconditional and explicit complexity lower bound for a category of simulations called monotone strong simulation and further prove conditional complexity lower bounds for general strong simulation techniques. Both results indicate that strong simulation is fundamentally unscalable. In the second part of the thesis, we propose classical algorithms that facilitate quantum computing. We propose a new classical algorithm for the synthesis of a quantum algorithm paradigm called quantum signal processing. Empirically, our algorithm demonstrates numerical stability and acceleration of more than one magnitude compared to state-of-the-art algorithms. Finally, we propose a randomized algorithm for transversally switching between arbitrary stabilizer quantum error-correcting codes. It has the property of preserving the code distance and thus might prove useful for designing fault-tolerant code-switching schemes.