Transcorrelated methods provide an efficient way of partially transferring the description of electronic correlations from the ground state wavefunction directly into the underlying Hamiltonian. In particular, Dobrautz et al. [Phys. Rev. B, 99(7), 075119, (2019)] have demonstrated that the use of momentum-space representation, combined with a non-unitary similarity transformation, results in a Hubbard Hamiltonian that possesses a significantly more compact ground state wavefunction, dominated by a single Slater determinant. This compactness/single-reference character greatly facilitates electronic structure calculations. As a consequence, however, the Hamiltonian becomes non-Hermitian, posing problems for quantum algorithms based on the variational principle. We overcome these limitations with the ansatz-based quantum imaginary time evolution algorithm and apply the transcorrelated method in the context of digital quantum computing. We demonstrate that this approach enables up to 4 orders of magnitude more accurate and compact solutions in various instances of the Hubbard model at intermediate interaction strength ($U/t=4$), enabling the use of shallower quantum circuits for wavefunction ansatzes. In addition, we propose a more efficient implementation of the quantum imaginary time evolution algorithm in quantum circuits that is tailored to non-Hermitian problems. To validate our approach, we perform hardware experiments on the ibmq_lima quantum computer. Our work paves the way for the use of exact transcorrelated methods for the simulations of ab initio systems on quantum computers.
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at polynomial cost, by an approximate similarity transformation with an explicitly correlated two-body unitary operator. This Hamiltonian is Hermitian, includes no more than two-particle interactions, and is free of electron-electron singularities. We investigate the effect of such a transformed Hamiltonian on the accuracy and computational cost of quantum simulation…
Accurately treating electron correlation in the wavefunction is a key challenge for both classical and quantum computational chemistry. Classical methods have been developed which explicitly account for this correlation by incorporating inter-electronic distances into the wavefunction. The transcorrelated method transfers this explicit correlation from the wavefunction to a transformed, non-Hermitian Hamiltonian, whose right-hand eigenvectors become easier to obtain than those of the original Hamiltonian. In this work, we show that the transcorrelated method can reduce the resources required t…
This paper addresses the problem of finding the depth overhead that will be incurred when running quantum circuits on near-term quantum computers. Specifically, it is envisaged that near-term quantum computers will have low qubit connectivity: each qubit will only be able to interact with a subset of the other qubits, a reality typically represented by a qubit interaction graph in which a vertex represents a qubit and an edge represents a possible direct 2-qubit interaction (gate). Thus the depth overhead is unavoidably incurred by introducing swap gates into the quantum circuit to enable gene…
Large quantum computers promise to solve some critical problems not solvable otherwise. However, modern quantum technologies suffer various imperfections such as control errors and qubit decoherence, inhibiting their potential utility. The overheads of quantum error correction are too great for near-term quantum computers, whereas error-mitigation strategies that address specific device imperfections may lose relevance as devices improve. To enhance the performance of quantum computers with high-quality qubits, we introduce a strategy based on symmetrization and nonlinear aggregation. On a com…
Demonstration of low-overhead quantum error correction codes
Zhejiang University（浙江大学）；Shanghai Qi Zhi Institute（上海人工智能实验室）；Tsinghua University（清华大学）；Harvard University（哈佛大学）；Xi'an Jiaotong University（西安交通大学）；Institute of Physics, Polish Academy of Sciences（波兰科学院物理研究所）；Hefei National Laboratory（合肥国家实验室）
Quantum error mitigation techniques can reduce noise on current quantum hardware without the need for fault-tolerant quantum error correction. For instance, the quasiprobability method simulates a noise-free quantum computer using a noisy one, with the caveat of only producing the correct expected values of observables. The cost of this error mitigation technique manifests as a sampling overhead which scales exponentially in the number of corrected gates. In this work, we present a new algorithm based on mathematical optimization that aims to choose the quasiprobability decomposition in a nois…
Princeton University（普林斯顿大学）；University of Chicago（芝加哥大学）
Many quantum algorithms for machine learning require access to classical data in superposition. However, for many natural data sets and algorithms, the overhead required to load the data set in superposition can erase any potential quantum speedup over classical algorithms. Recent work by Harrow introduces a new paradigm in hybrid quantum-classical computing to address this issue, relying on coresets to minimize the data loading overhead of quantum algorithms. We investigate using this paradigm to perform $k$-means clustering on near-term quantum computers, by casting it as a QAOA optimization…
We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical-computer simulations for such problems, to significantly increase their accuracy and enable hitherto intractable simulations. Detailed resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reason…
Qubit mapping is essential to quantum computing's fidelity and quantum computers' resource utilization. Yet, the existing qubit mapping schemes meet some challenges (e.g., crosstalk, SWAP overheads, diverse device topologies, etc.), leading to qubit resource under-utilization, high error rate, and low fidelity in computing results. This paper presents QuCloud+, a new qubit mapping scheme capable of handling these challenges. QuCloud+ has several new designs. (1) QuCloud+ enables multi-programming quantum computing on quantum chips with 2D/3D topology. (2) It partitions physical qubits for conc…
Current and near term quantum computers (i.e. NISQ devices) are limited in their computational power in part due to qubit decoherence. Here we seek to take advantage of qubit decoherence as a resource in simulating the behavior of real world quantum systems, which are always subject to decoherence, with no additional computational overhead. As a first step toward this goal we simulate the thermal relaxation of quantum beats in radical ion pairs (RPs) on a quantum computer as a proof of concept of the method. We present three methods for implementing the thermal relaxation, one which explicitly…
Quantum computing is an emerging field of science which will eventually lead us to new and powerful logic devices with capabilities far beyond the limits of current transistor-based technology. There are certain types of problems which quantum computers can solve fundamentally faster than the tradition digital computers. There are quantum algorithms which require both superposition and entanglement (e.g. Shor algorithm). But neither the Grover algorithm nor the very first quantum algorithm due to Deutsch and Jozsa need entanglement. Is it possible to utilize classical wave superposition to spe…
Several authors have described the basic requirements essential to build a scalable quantum computer. Because many physical implementation schemes for quantum computing rely on nearest neighbor interactions, there is a hidden quantum communication overhead to connect distant nodes of the computer. In this paper we propose a physical solution to this problem which, together with the key building blocks, provides a pathway to a scalable quantum architecture using nonlocal interactions. Our solution involves the concept of a quantum bus that acts as a refreshable entanglement resource to connect …
Quantum feature-map learning with reduced resource overhead
Department of Computer Science and Institute of Applied Mathematics, University of British Columbia (UBC), Vancouver, B.C. V6T 1Z4, Canada（计算机科学系和应用数学研究所，不列颠哥伦比亚大学（UBC），温哥华，B.C. V6T 1Z4，加拿大）；Stewart Blusson Quantum Matter Institute (QMI), Vancouver, B.C. V6T 1Z4, Canada（斯图尔特·布卢森量子物质研究所（QMI），温哥华，B.C. V6T 1Z4，加拿大）；Institute of Physics, University of Freiburg, Freiburg (Breisgau), 79104, Germany（物理研究所，弗赖堡大学，弗赖堡（巴登-符腾堡），79104，德国）；Department of Chemistry, University of British Columbia (UBC), Vancouver, B.C. V6T 1Z1, Canada（化学系，不列颠哥伦比亚大学（UBC），温哥华，B.C. V6T 1Z1，加拿大）
We present a comprehensive architectural analysis for a proposed fault-tolerant quantum computer based on cat codes concatenated with outer quantum error-correcting codes. For the physical hardware, we propose a system of acoustic resonators coupled to superconducting circuits with a two-dimensional layout. Using estimated physical parameters for the hardware, we perform a detailed error analysis of measurements and gates, including CNOT and Toffoli gates. Having built a realistic noise model, we numerically simulate quantum error correction when the outer code is either a repetition code or a…
We present a hybrid quantum-classical algorithm to simulate thermal states of a classical Hamiltonians on a quantum computer. Our scheme employs a sequence of locally controlled rotations, building up the desired state by adding qubits one at a time. We identify a class of classical models for which our method is efficient and avoids potential exponential overheads encountered by Grover-like or quantum Metropolis schemes. Our algorithm also gives an exponential advantage for 2D Ising models with magnetic field on a square lattice, compared with the previously known Zalka's algorithm.
Quantum chemistry simulations on a quantum computer suffer from the overhead needed for encoding the fermionic problem in a bosonic system of qubits. By exploiting the block diagonality of a fermionic Hamiltonian, we show that the number of required qubits can be reduced by a factor of two or more. There is no need to go into the basis of the Hilbert space for this reduction because all operations can be performed in the operator space. The scheme is conceived as a pre-computational step that would be performed on a classical computer prior to the actual quantum simulation. We apply this schem…
Efficiently entangling pairs of qubits is essential to fully harness the power of quantum computing. Here, we devise an exact protocol that simultaneously entangles arbitrary pairs of qubits on a trapped-ion quantum computer. The protocol requires classical computational resources polynomial in the system size, and very little overhead in the quantum control compared to a single-pair case. We demonstrate an exponential improvement in both classical and quantum resources over the current state of the art. We implement the protocol on a software-defined trapped-ion quantum computer, where we rec…
This work is concerned with phrasing the concepts of fault-tolerant quantum computation within the framework of disordered systems, Bernoulli site percolation in particular. We show how the so-called "threshold theorems" on the possibility of fault-tolerant quantum computation with constant error rate can be cast as a renormalization (coarse-graining) of the site percolation process describing the occurrence of errors during computation. We also use percolation techniques to derive a trade-off between the complexity overhead of the fault-tolerant circuit and the threshold error rate.
Quantum LDPC codes may provide a path to build low-overhead fault-tolerant quantum computers. However, as general LDPC codes lack geometric constraints, naïve layouts couple many distant qubits with crossing connections which could be hard to build in hardware and could result in performance-degrading crosstalk. We propose a 2D layout for quantum LDPC codes by decomposing their Tanner graphs into a small number of planar layers. Each layer contains long-range connections which do not cross. For any CSS code with a degree-$δ$ Tanner graph, we design stabilizer measurement circuits with depth at…
A non-Clifford gate is required for universal quantum computation, and, typically, this is the most error-prone and resource intensive logical operation on an error-correcting code. Small, single-qubit rotations are popular choices for this non-Clifford gate, but certain three-qubit gates, such as Toffoli or controlled-controlled-Z (CCZ), are equivalent options that are also more suited for implementing some quantum algorithms, for instance those with coherent classical subroutines. Here, we calculate error rates and resource overheads for implementing logical CCZ with pieceable fault-toleranc…
We present a distributed implementation of Shor's quantum factoring algorithm on a distributed quantum network model. This model provides a means for small capacity quantum computers to work together in such a way as to simulate a large capacity quantum computer. In this paper, entanglement is used as a resource for implementing non-local operations between two or more quantum computers. These non-local operations are used to implement a distributed factoring circuit with polynomially many gates. This distributed version of Shor's algorithm requires an additional overhead of O((log N)^2) commu…
Decoherence is the main obstacle to the realization of quantum computers. Until recently it was thought that quantum error correcting codes are the only complete solution to the decoherence problem. Here we present an alternative that is based on a combination of a decoherence-free subspace encoding and the application of strong and fast pulses: ``encoded recoupling and decoupling'' (ERD). This alternative has the advantage of lower encoding overhead (as few as two physical qubits per logical qubit suffice), and direct application to a number of promising proposals for the experimental realiza…
As far as we know, a useful quantum computer will require fault-tolerant gates, and existing schemes demand a prohibitively large space and time overhead. We argue that a first generation quantum computer will be very valuable to design, test, and optimize fault-tolerant protocols tailored to the noise processes of the hardware. Our argument is essentially a critical analysis of the current methods envisioned to optimize fault-tolerant schemes, which rely on hardware characterization, noise modelling, and numerical simulations. We show that, even within a very restricted set of noise models, e…
Reconfigurable Quantum Instruction Set Computers for High Performance Attainable on Hardware
The Hong Kong University of Science and Technology（香港科技大学）；Fudan University（复旦大学）；Shanghai Institute for Mathematics and Interdisciplinary Sciences（上海数学与交叉学科研究院）；Tsinghua University（清华大学）；DAMO Academy, Alibaba Group（阿里巴巴集团达摩院）
We present two verification protocols where the correctness of a "target" computation is checked by means of "trap" computations that can be efficiently simulated on a classical computer. Our protocols rely on a minimal set of noise-free operations (preparation of eight single-qubit states or measurement of four observables, both on a single plane of the Bloch sphere) and achieve linear overhead. To the best of our knowledge, our protocols are the least demanding techniques able to achieve linear overhead. They represent a step towards further reducing the quantum requirements for verification…
Physics-Inspired Extrapolation for efficient error mitigation and hardware certification
LG Electronics Toronto AI Lab（LG电子多伦多人工智能实验室）；Instituto de Física Fundamental IFF-CSIC（基础物理研究所（西班牙科学理事会下属））；Instituto Tecnológico de Galicia（加利西亚理工学院）；LG Electronics, AI Lab, CTO Div（LG电子，人工智能实验室，首席技术官部门）
Accurate prediction of chemical and material properties from first principles quantum chemistry is a challenging task on traditional computers. Recent developments in quantum computation offer a route towards highly accurate solutions with polynomial cost, however this solution still carries a large overhead. In this perspective, we aim to bring together known results about the locality of physical interactions from quantum chemistry with ideas from quantum computation. We show that the utilization of spatial locality combined with the Bravyi-Kitaev transformation offers an improvement in the …
Due to the immense potential of quantum computers and the significant computing overhead required in machine learning applications, the variational quantum classifier (VQC) has received a lot of interest recently for image classification. The performance of VQC is jeopardized by the noise in Noisy Intermediate-Scale Quantum (NISQ) computers, which is a significant hurdle. It is crucial to remember that large error rates occur in quantum algorithms due to quantum decoherence and imprecision of quantum gates. Previous studies have looked towards using ensemble learning in conventional computing …
We develop a classical bit-flip correction method to mitigate measurement errors on quantum computers. This method can be applied to any operator, any number of qubits, and any realistic bit-flip probability. We first demonstrate the successful performance of this method by correcting the noisy measurements of the ground-state energy of the longitudinal Ising model. We then generalize our results to arbitrary operators and test our method both numerically and experimentally on IBM quantum hardware. As a result, our correction method reduces the measurement error on the quantum hardware by up t…
There exist quantum algorithms that are more efficient than their classical counterparts; such algorithms were invented by Shor in 1994 and then Grover in 1996. A lack of invention since Grover's algorithm has been commonly attributed to the non-intuitive nature of quantum algorithms to the classically trained person. Thus, the idea of using computers to automatically generate quantum algorithms based on an evolutionary model emerged. A limitation of this approach is that quantum computers do not yet exist and quantum simulation on a classical machine has an exponential order overhead. Neverth…
We introduce Mitiq, a Python package for error mitigation on noisy quantum computers. Error mitigation techniques can reduce the impact of noise on near-term quantum computers with minimal overhead in quantum resources by relying on a mixture of quantum sampling and classical post-processing techniques. Mitiq is an extensible toolkit of different error mitigation methods, including zero-noise extrapolation, probabilistic error cancellation, and Clifford data regression. The library is designed to be compatible with generic backends and interfaces with different quantum software frameworks. We …
