Search

Quantum computers capable of fault-tolerant operation are expected to provide provable advantages over classical computational models. However, the question of whether quantum advantages exist in the noisy intermediate-scale quantum era remains a fundamental and challenging problem. The root of this challenge lies in the difficulty of exploring and quantifying the power of noisy quantum states. In this work, we focus on the complexity of weakly noisy states, which we define as the size of the shortest quantum circuit required to prepare the noisy state. To analyze this complexity, we first establish a general relationship between circuit depth, noise model, and purity. Based on this necessary condition, we propose a quantum machine learning (QML) algorithm that exploits the intrinsic-connection property of structured quantum neural networks. The proposed QML algorithm enables efficiently predicting the complexity of weakly noisy states from measurement results, representing a paradigm shift in our ability to characterize the power of noisy quantum computation., Comment: Revise the statement in Main Results

Distillation, or purification, is central to the practical use of quantum resources in noisy settings often encountered in quantum communication and computation. Conventionally, distillation requires using some restricted 'free' operations to convert a noisy state into one that approximates a desired pure state. Here, we propose to relax this setting by only requiring the approximation of the measurement statistics of a target pure state, which allows for additional classical postprocessing of the measurement outcomes. We show that this extended scenario, which we call virtual resource distillation, provides considerable advantages over standard notions of distillation, allowing for the purification of noisy states from which no resources can be distilled conventionally. We show that general states can be virtually distilled with a cost (measurement overhead) that is inversely proportional to the amount of existing resource, and we develop methods to efficiently estimate such cost via convex and semidefinite programming, giving several computable bounds. We consider applications to coherence, entanglement, and magic distillation, and an explicit example in quantum teleportation (distributed quantum computing). This work opens a new avenue for investigating generalized ways to manipulate quantum resources., Comment: 6 pages, 2 figures; See also the companion paper arXiv:2404.13048 for the broader framework and complete technical proofs

In the effort to develop useful quantum computers simulating quantum machines with conventional computing resources is a key capability. Such simulations will always face limits preventing the emulation of quantum computers of substantial scale but by pushing the envelope as far as possible through optimal choices of algorithms and hardware the value of the simulator tool is maximized. This work reviews the state-of-the-art numerical simulation methods i.e. the classical algorithms that emulate quantum computer evolution under specific operations. We focus on the mainstream state-vector and tensor-network paradigms while briefly mentioning alternative methods. Moreover we review the diverse applications of simulation across different facets of quantum computer development such as understanding the fundamental difference between quantum and classical computations exploring algorithm design spaces for quantum advantage predicting quantum processor performance at the design stage and characterizing fabricated devices efficiently for fast iterations. This review complements recent surveys on today's tools and implementations here we seek to acquaint the reader with an essential understanding of the theoretical basis of classical simulations detailed discussions on the advantages and limitations of different methods and the demands and challenges arising from practical use cases., Comment: 14 pages

A new local watermarking method based on histogram shifting has been proposed in this paper to deal with various signal processing attacks (e.g. median filtering, JPEG compression and Gaussian noise addition) and geometric attacks (e.g. rotation, scaling and cropping). A feature detector is used to select local areas for embedding. Then stationary wavelet transform (SWT) is applied on each local area for denoising by setting the corresponding diagonal coefficients to zero. With the implementation of histogram shifting, the watermark is embedded into denoised local areas. Meanwhile, a secret key is used in the embedding process which ensures the security that the watermark cannot be easily hacked. After the embedding process, the SWT diagonal coefficients are used to reconstruct the watermarked image. With the proposed watermarking method, we can achieve higher image quality and less bit error rate (BER) in the decoding process even after some attacks. Compared with global watermarking methods, the proposed watermarking scheme based on local histogram shifting has the advantages of higher security and larger capacity. The experimental results show the better image quality as well as lower BER compared with the state-of-art watermarking methods.

The stochastic proximal point (SPP) methods have gained recent attention for stochastic optimization, with strong convergence guarantees and superior robustness to the classic stochastic gradient descent (SGD) methods showcased at little to no cost of computational overhead added. In this article, we study a minibatch variant of SPP, namely M-SPP, for solving convex composite risk minimization problems. The core contribution is a set of novel excess risk bounds of M-SPP derived through the lens of algorithmic stability theory. Particularly under smoothness and quadratic growth conditions, we show that M-SPP with minibatch-size $n$ and iteration count $T$ enjoys an in-expectation fast rate of convergence consisting of an $\mathcal{O}\left(\frac{1}{T^2}\right)$ bias decaying term and an $\mathcal{O}\left(\frac{1}{nT}\right)$ variance decaying term. In the small-$n$-large-$T$ setting, this result substantially improves the best known results of SPP-type approaches by revealing the impact of noise level of model on convergence rate. In the complementary small-$T$-large-$n$ regime, we provide a two-phase extension of M-SPP to achieve comparable convergence rates. Moreover, we derive a near-tight high probability (over the randomness of data) bound on the parameter estimation error of a sampling-without-replacement variant of M-SPP. Numerical evidences are provided to support our theoretical predictions when substantialized to Lasso and logistic regression models.

Near-term quantum devices generally suffer from shallow circuit depth and hence limited expressivity due to noise and decoherence. To address this, we propose tensor network assisted parameterized quantum circuits, which concatenate a classical tensor network operator with a quantum circuit to effectively increase the circuit's expressivity without requiring a physically deeper circuit. We present a framework for tensor network-assisted variational quantum algorithms that can solve quantum many-body problems using shallower quantum circuits. We demonstrate the efficiency of this approach by considering two examples of unitary matrix product operators and unitary tree tensor networks, showing that they can both be implemented efficiently. Through numerical simulations, we show that the expressivity of these circuits is greatly enhanced with the assistance of tensor networks. We apply our method to 2D Ising models and 1D time crystal Hamiltonian models with up to 16 qubits, and demonstrate that our approach consistently outperforms conventional methods using shallow quantum circuits., Comment: 9 pages, 4 figures, 41 references

Time-dependent Hamiltonian simulation (TDHS) is a critical task in quantum computing. Existing algorithms are generally biased with a small algorithmic error $\varepsilon$, and the gate complexity scales as $O(\text{poly}(1/\varepsilon))$ for product formula-based methods and could be improved to be polylogarithmic with complicated circuit constructions. Here, we develop an unbiased random compiler for TDHS by combining Dyson expansion, an unbiased continuous sampling method for quantum evolution, and leading order rotations, and it is free from algorithmic errors. Our method has the single- and two-qubit gate complexity $O(\Lambda^2)$ with a constant sampling overhead, where $\Lambda$ is the time integration of the Hamiltonian strength. We perform numerical simulations for a spin model under the interaction picture and the adiabatic ground state preparation for molecular systems. In both examples, we observe notable improvements of our method over existing ones. Our work paves the way to efficient realizations of TDHS., Comment: 13 pages, 2 figures

Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum chemistry problems, yet challenges due to theoretical complexity and experimental imperfections hinder progress in achieving reliable and accurate results. Experimental works for solving electronic structures are consequently still restricted to nonscalable (hardware efficient) or classically simulable (Hartree-Fock) ansatz, or limited to a few qubits with large errors. The experimental realisation of scalable and high-precision quantum chemistry simulation remains elusive. Here, we address the critical challenges {associated with} solving molecular electronic structures using noisy quantum processors. Our protocol presents significant improvements in the circuit depth and running time, key metrics for chemistry simulation. Through systematic hardware enhancements and the integration of error mitigation techniques, we push forward the limit of experimental quantum computational chemistry and successfully scale up the implementation of VQE with an optimised unitary coupled-cluster ansatz to 12 qubits. We produce high-precision results of the ground-state energy for molecules with error suppression by around two orders of magnitude. We achieve chemical accuracy for H$_2$ at all bond distances and LiH at small bond distances in the experiment, even beyond the two recent concurrent works. Our work demonstrates a feasible path towards a scalable solution to electronic structure calculation, validating the key technological features and identifying future challenges for this goal., Comment: 11 pages, 4 figures in the main text, and 29 pages supplementary materials with 17 figures

Fermi acceleration by collisionless shocks is believed to be the primary mechanism to produce high energy charged particles in the Universe,where charged particles gain energy successively from multiple reflections off the shock front.Here,we present the first direct experimental evidence of ion energization from reflection off a supercritical quasi perpendicular collisionless shock,an essential component of Fermi acceleration in a laser produced magnetized plasma. We observed a quasi monoenergetic ion beam with 2,4 times the shock velocity in the upstream flow using time of flight method. Our related kinetic simulations reproduced the energy gain and showed that these ions were first reflected and then accelerated mainly by the motional electric field associated with the shock. This mechanism can also explain the quasi monoenergetic fast ion component observed in the Earth's bow shock.

Boson is one of the most basic types of particles and preserves the commutation relation. An efficient way to measure a bosonic system is important not only for simulating complex physics phenomena of bosons (such as nuclei) on a qubit based quantum computer, but for extracting classical information from a quantum simulator/computer that itself is built with bosons (such as a continuous variable quantum computer). Extending the recently proposed measurement schemes for qubits, such as shadow tomography and other local measurement schemes, here we study efficient measurement approaches for bosonic systems. We consider truncated qudit and continuous variable systems, corresponding to simulated bosons on a discrete quantum computer and an inherent boson system, respectively, and propose different measurement schemes with theoretical analyses of the variances for these two cases. We numerically test the schemes for measuring nuclei vibrations simulated using a discrete quantum computer and a continuous variable Gaussian state, and the simulation results show great improvement of the performance of the proposed method compared to conventional ones.

In the noisy-intermediate-scale-quantum era, Variational Quantum Eigensolver (VQE) is a promising method to study ground state properties in quantum chemistry, materials science, and condensed physics. However, general quantum eigensolvers are lack of systematical improvability, and achieve rigorous convergence is generally hard in practice, especially in solving strong-correlated systems. Here, we propose an Orbital Expansion VQE~(OE-VQE) framework to construct an efficient convergence path. The path starts from a highly correlated compact active space and rapidly expands and converges to the ground state, enabling simulating ground states with much shallower quantum circuits. We benchmark the OE-VQE on a series of typical molecules including H$_{6}$-chain, H$_{10}$-ring and N$_2$, and the simulation results show that proposed convergence paths dramatically enhance the performance of general quantum eigensolvers., Comment: Wu et al 2023 Quantum Sci. Technol

$\ell_0$ constrained optimization is prevalent in machine learning, particularly for high-dimensional problems, because it is a fundamental approach to achieve sparse learning. Hard-thresholding gradient descent is a dominant technique to solve this problem. However, first-order gradients of the objective function may be either unavailable or expensive to calculate in a lot of real-world problems, where zeroth-order (ZO) gradients could be a good surrogate. Unfortunately, whether ZO gradients can work with the hard-thresholding operator is still an unsolved problem. To solve this puzzle, in this paper, we focus on the $\ell_0$ constrained black-box stochastic optimization problems, and propose a new stochastic zeroth-order gradient hard-thresholding (SZOHT) algorithm with a general ZO gradient estimator powered by a novel random support sampling. We provide the convergence analysis of SZOHT under standard assumptions. Importantly, we reveal a conflict between the deviation of ZO estimators and the expansivity of the hard-thresholding operator, and provide a theoretical minimal value of the number of random directions in ZO gradients. In addition, we find that the query complexity of SZOHT is independent or weakly dependent on the dimensionality under different settings. Finally, we illustrate the utility of our method on a portfolio optimization problem as well as black-box adversarial attacks., Comment: Accepted for publication at NeurIPS 2022

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules, ab initio simulation of solid-state materials on quantum computers is still in its early stage, mostly owing to the fact that the system size quickly becomes prohibitively large when approaching the thermodynamic limit. In this work, we introduce an orbital-based multi-fragment approach on top of the periodic density matrix embedding theory, resulting in a significantly smaller problem size for the current near-term quantum computer. We demonstrate the accuracy and efficiency of our method compared with the conventional methodologies and experiments on solid-state systems with complex electronic structures. These include spin polarized states of a hydrogen chain (1D-H), the equation of states of a boron nitride layer (h-BN) as well as the magnetic ordering in nickel oxide (NiO), a prototypical strongly correlated solid. Our results suggest that quantum embedding combined with a chemically intuitive fragmentation can greatly advance quantum simulation of realistic materials, thereby paving the way for solving important yet classically hard industrial problems on near-term quantum devices., Comment: 23 pages, 7 figures, and 3 tables

We propose to use quantum computers to simulate infection spreading in networks. We first show the analogy between the infection distribution and spin-lattice configurations with Ising-type interactions. Then, since the spreading process can be modeled as a classical Markovian process, we show that the spreading process can be simulated using the evolution of a quantum thermal dynamic model with a parameterized Hamiltonian. In particular, we analytically and numerically analyze the evolution behavior of the Hamiltonian, and prove that the evolution simulates a classical Markovian process, which describes the well-known epidemiological stochastic susceptible and infectious (SI) model. A practical method to determine the parameters of the thermal dynamic Hamiltonian from epidemiological inputs is exhibited. As an example, we simulate the infection spreading process of the SARS-Cov-2 variant Omicron in a small-world network., Comment: 13 pages, 10 figures, one supplementary material

Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates these two methods, inheriting their distinct features in efficient representation and manipulation of quantum states and overcoming their limitations. We first introduce non-stoquasticity indicators (NSIs) and their upper bounds, which measure the sign problem, the most notable limitation of QMC. We show that our algorithm could greatly mitigate the sign problem, which decreases NSIs with the assistance of quantum computing. Meanwhile, the use of quantum Monte Carlo also increases the expressivity of shallow quantum circuits, allowing more accurate computation that is conventionally achievable only with much deeper circuits. We numerically test and verify the method for the N$_2$ molecule (12 qubits) and the Hubbard model (16 qubits). Our work paves the way to solving practical problems with intermediate-scale and early-fault tolerant quantum computers, with potential applications in chemistry, condensed matter physics, materials, high energy physics, etc.

The FedProx algorithm is a simple yet powerful distributed proximal point optimization method widely used for federated learning (FL) over heterogeneous data. Despite its popularity and remarkable success witnessed in practice, the theoretical understanding of FedProx is largely underinvestigated: the appealing convergence behavior of FedProx is so far characterized under certain non-standard and unrealistic dissimilarity assumptions of local functions, and the results are limited to smooth optimization problems. In order to remedy these deficiencies, we develop a novel local dissimilarity invariant convergence theory for FedProx and its minibatch stochastic extension through the lens of algorithmic stability. As a result, we contribute to derive several new and deeper insights into FedProx for non-convex federated optimization including: 1) convergence guarantees independent on local dissimilarity type conditions; 2) convergence guarantees for non-smooth FL problems; and 3) linear speedup with respect to size of minibatch and number of sampled devices. Our theory for the first time reveals that local dissimilarity and smoothness are not must-have for FedProx to get favorable complexity bounds. Preliminary experimental results on a series of benchmark FL datasets are reported to demonstrate the benefit of minibatching for improving the sample efficiency of FedProx.

Exponential generalization bounds with near-tight rates have recently been established for uniformly stable learning algorithms. The notion of uniform stability, however, is stringent in the sense that it is invariant to the data-generating distribution. Under the weaker and distribution dependent notions of stability such as hypothesis stability and $L_2$-stability, the literature suggests that only polynomial generalization bounds are possible in general cases. The present paper addresses this long standing tension between these two regimes of results and makes progress towards relaxing it inside a classic framework of confidence-boosting. To this end, we first establish an in-expectation first moment generalization error bound for potentially randomized learning algorithms with $L_2$-stability, based on which we then show that a properly designed subbagging process leads to near-tight exponential generalization bounds over the randomness of both data and algorithm. We further substantialize these generic results to stochastic gradient descent (SGD) to derive improved high-probability generalization bounds for convex or non-convex optimization problems with natural time decaying learning rates, which have not been possible to prove with the existing hypothesis stability or uniform stability based results.

The intrinsic probabilistic nature of quantum mechanics invokes endeavors of designing quantum generative learning models (QGLMs). Despite the empirical achievements, the foundations and the potential advantages of QGLMs remain largely obscure. To narrow this knowledge gap, here we explore the generalization property of QGLMs, the capability to extend the model from learned to unknown data. We consider two prototypical QGLMs, quantum circuit Born machines and quantum generative adversarial networks, and explicitly give their generalization bounds. The result identifies superiorities of QGLMs over classical methods when quantum devices can directly access the target distribution and quantum kernels are employed. We further employ these generalization bounds to exhibit potential advantages in quantum state preparation and Hamiltonian learning. Numerical results of QGLMs in loading Gaussian distribution and estimating ground states of parameterized Hamiltonians accord with the theoretical analysis. Our work opens the avenue for quantitatively understanding the power of quantum generative learning models., Comment: 28 pages, 9 figures

In this paper, we analyze the generalization performance of the Iterative Hard Thresholding (IHT) algorithm widely used for sparse recovery problems. The parameter estimation and sparsity recovery consistency of IHT has long been known in compressed sensing. From the perspective of statistical learning, another fundamental question is how well the IHT estimation would predict on unseen data. This paper makes progress towards answering this open question by introducing a novel sparse generalization theory for IHT under the notion of algorithmic stability. Our theory reveals that: 1) under natural conditions on the empirical risk function over $n$ samples of dimension $p$, IHT with sparsity level $k$ enjoys an $\mathcal{\tilde O}(n^{-1/2}\sqrt{k\log(n)\log(p)})$ rate of convergence in sparse excess risk; 2) a tighter $\mathcal{\tilde O}(n^{-1/2}\sqrt{\log(n)})$ bound can be established by imposing an additional iteration stability condition on a hypothetical IHT procedure invoked to the population risk; and 3) a fast rate of order $\mathcal{\tilde O}\left(n^{-1}k(\log^3(n)+\log(p))\right)$ can be derived for strongly convex risk function under proper strong-signal conditions. The results have been substantialized to sparse linear regression and sparse logistic regression models to demonstrate the applicability of our theory. Preliminary numerical evidence is provided to confirm our theoretical predictions.

The quantum component in uncertainty relation can be naturally characterized by the quantum coherence of a quantum state, which is of paramount importance in quantum information science. Here, we experimentally investigate quantum uncertainty relations construed with relative entropy of coherence, $l_1$ norm of coherence and coherence of formation. In stead of quantum state tomographic technology, we employ the classical shadow algorithm for the detection of lower bounds in quantum uncertainty relations. With an all optical setup, we prepare a family of quantum states whose purity can be fully controlled. We experimentally explore the tightness of various lower bounds in different reference bases on the prepared states. Our results indicate the tightness of quantum coherence lower bounds dependents on the reference bases as well as the purity of quantum state., Comment: 6 pages, 5 figures

Quantum state preparation is an important subroutine for quantum computing. We show that any $n$-qubit quantum state can be prepared with a $\Theta(n)$-depth circuit using only single- and two-qubit gates, although with a cost of an exponential amount of ancillary qubits. On the other hand, for sparse quantum states with $d\geqslant2$ non-zero entries, we can reduce the circuit depth to $\Theta(\log(nd))$ with $O(nd\log d)$ ancillary qubits. The algorithm for sparse states is exponentially faster than best-known results and the number of ancillary qubits is nearly optimal and only increases polynomially with the system size. We discuss applications of the results in different quantum computing tasks, such as Hamiltonian simulation, solving linear systems of equations, and realizing quantum random access memories, and find cases with exponential reductions of the circuit depth for all these three tasks. In particular, using our algorithm, we find a family of linear system solving problems enjoying exponential speedups, even compared to the best-known quantum and classical dequantization algorithms., Comment: 6+18 pages, 1+7 figures. Revise some claims in Sec. VIII A of Supplementary Material