arXiv subjects

Zhiyan Ding

Publications and source records attributed to Zhiyan Ding.

At least 37 records · Page 2Linked to original sources

arXiv2024

Lower bound for simulation cost of open quantum systems: Lipschitz continuity approach

Simulating quantum dynamics is one of the most promising applications of quantum computers. While the upper bound of the simulation cost has been extensively studied through various quantum algorithms, much less work has focused on establishing the lower bound, particularly for the simulation of open quantum system dynamics. In this work, we present a general framework to calculate the lower bound for simulating a broad class of quantum Markov semigroups. Given a fixed accessible unitary set, we introduce the concept of convexified circuit depth to quantify the quantum simulation cost and analyze the necessary circuit depth to construct a quantum simulation scheme that achieves a specific order. Our framework can be applied to both unital and non-unital quantum dynamics, and the tightness of our lower bound technique is illustrated by showing that the upper and lower bounds coincide in several examples.

quant-ph↗

arXiv2024

Single-ancilla ground state preparation via Lindbladians

We design a quantum algorithm for ground state preparation in the early fault tolerant regime. As a Monte Carlo-style quantum algorithm, our method features a Lindbladian where the target state is stationary. The construction of this Lindbladian is algorithmic and should not be seen as a specific approximation to some weakly coupled system-bath dynamics in nature. Our algorithm can be implemented using just one ancilla qubit and efficiently simulated on a quantum computer. It can prepare the ground state even when the initial state has zero overlap with the ground state, bypassing the most significant limitation of methods like quantum phase estimation. As a variant, we also propose a discrete-time algorithm, demonstrating even better efficiency and providing a near-optimal simulation cost depending on the desired evolution time and precision. Numerical simulation using Ising and Hubbard models demonstrates the efficacy and applicability of our method.

quant-ph↗

arXiv2024

Convergence of variational Monte Carlo simulation and scale-invariant pre-training

We provide theoretical convergence bounds for the variational Monte Carlo (VMC) method as applied to optimize neural network wave functions for the electronic structure problem. We study both the energy minimization phase and the supervised pre-training phase that is commonly used prior to energy minimization. For the energy minimization phase, the standard algorithm is scale-invariant by design, and we provide a proof of convergence for this algorithm without modifications. The pre-training stage typically does not feature such scale-invariance. We propose using a scale-invariant loss for the pretraining phase and demonstrate empirically that it leads to faster pre-training.

cs.LG↗

arXiv2024

Random coordinate descent: a simple alternative for optimizing parameterized quantum circuits

Variational quantum algorithms rely on the optimization of parameterized quantum circuits in noisy settings. The commonly used back-propagation procedure in classical machine learning is not directly applicable in this setting due to the collapse of quantum states after measurements. Thus, gradient estimations constitute a significant overhead in a gradient-based optimization of such quantum circuits. This paper introduces a random coordinate descent algorithm as a practical and easy-to-implement alternative to the full gradient descent algorithm. This algorithm only requires one partial derivative at each iteration. Motivated by the behavior of measurement noise in the practical optimization of parameterized quantum circuits, this paper presents an optimization problem setting that is amenable to analysis. Under this setting, the random coordinate descent algorithm exhibits the same level of stochastic stability as the full gradient approach, making it as resilient to noise. The complexity of the random coordinate descent method is generally no worse than that of the gradient descent and can be much better for various quantum optimization problems with anisotropic Lipschitz constants. Theoretical analysis and extensive numerical experiments validate our findings.

quant-ph↗

arXiv2024

Bayesian sampling using interacting particles

Bayesian sampling is an important task in statistics and machine learning. Over the past decade, many ensemble-type sampling methods have been proposed. In contrast to the classical Markov chain Monte Carlo methods, these new methods deploy a large number of interactive samples, and the communication between these samples is crucial in speeding up the convergence. To justify the validity of these sampling strategies, the concept of interacting particles naturally calls for the mean-field theory. The theory establishes a correspondence between particle interactions encoded in a set of coupled ODEs/SDEs and a PDE that characterizes the evolution of the underlying distribution. This bridges numerical algorithms with the PDE theory used to show convergence in time. Many mathematical machineries are developed to provide the mean-field analysis, and we showcase two such examples: The coupling method and the compactness argument built upon the martingale strategy. The former has been deployed to show the convergence of ensemble Kalman sampler and ensemble Kalman inversion, and the latter will be shown to be immensely powerful in proving the validity of the Vlasov-Boltzmann simulator.

math.NA↗

arXiv2024

Simulating Open Quantum Systems Using Hamiltonian Simulations

We present a novel method to simulate the Lindblad equation, drawing on the relationship between Lindblad dynamics, stochastic differential equations, and Hamiltonian simulations. We derive a sequence of unitary dynamics in an enlarged Hilbert space that can approximate the Lindblad dynamics up to an arbitrarily high order. This unitary representation can then be simulated using a quantum circuit that involves only Hamiltonian simulation and tracing out the ancilla qubits. There is no need for additional postselection in measurement outcomes, ensuring a success probability of one at each stage. Our method can be directly generalized to the time-dependent setting. We provide numerical examples that simulate both time-independent and time-dependent Lindbladian dynamics with accuracy up to the third order.

quant-ph↗

arXiv2024

Robust ground-state energy estimation under depolarizing noise

We present a novel ground-state energy estimation algorithm that is robust under global depolarizing error channels. Building upon the recently developed Quantum Exponential Least Squares (QCELS) algorithm, our new approach incorporates significant advancements to ensure robust estimation while maintaining a polynomial cost in precision. By leveraging the spectral gap of the Hamiltonian effectively, our algorithm overcomes limitations observed in previous methods like quantum phase estimation (QPE) and robust phase estimation (RPE). Going beyond global depolarizing error channels, our work underscores the significance and practical advantages of utilizing randomized compiling techniques to tailor quantum noise towards depolarizing error channels. Our research demonstrates the feasibility of ground-state energy estimation in the presence of depolarizing noise, offering potential advancements in error correction and algorithmic-level error mitigation for quantum algorithms.

quant-ph↗

arXiv2024

Even shorter quantum circuit for phase estimation on early fault-tolerant quantum computers with applications to ground-state energy estimation

We develop a phase estimation method with a distinct feature: its maximal runtime (which determines the circuit depth) is $δ/ε$, where $ε$ is the target precision, and the preconstant $δ$ can be arbitrarily close to $0$ as the initial state approaches the target eigenstate. The total cost of the algorithm satisfies the Heisenberg-limited scaling $\widetilde{\mathcal{O}}(ε^{-1})$. As a result, our algorithm may significantly reduce the circuit depth for performing phase estimation tasks on early fault-tolerant quantum computers. The key technique is a simple subroutine called quantum complex exponential least squares (QCELS). Our algorithm can be readily applied to reduce the circuit depth for estimating the ground-state energy of a quantum Hamiltonian, when the overlap between the initial state and the ground state is large. If this initial overlap is small, we can combine our method with the Fourier filtering method developed in [Lin, Tong, PRX Quantum 3, 010318, 2022], and the resulting algorithm provably reduces the circuit depth in the presence of a large relative overlap compared to $ε$. The relative overlap condition is similar to a spectral gap assumption, but it is aware of the information in the initial state and is therefore applicable to certain Hamiltonians with small spectral gaps. We observe that the circuit depth can be reduced by around two orders of magnitude in numerical experiments under various settings.

quant-ph↗

arXiv2023

Simultaneous estimation of multiple eigenvalues with short-depth quantum circuit on early fault-tolerant quantum computers

We introduce a multi-modal, multi-level quantum complex exponential least squares (MM-QCELS) method to simultaneously estimate multiple eigenvalues of a quantum Hamiltonian on early fault-tolerant quantum computers. Our theoretical analysis demonstrates that the algorithm exhibits Heisenberg-limited scaling in terms of circuit depth and total cost. Notably, the proposed quantum circuit utilizes just one ancilla qubit, and with appropriate initial state conditions, it achieves significantly shorter circuit depths compared to circuits based on quantum phase estimation (QPE). Numerical results suggest that compared to QPE, the circuit depth can be reduced by around two orders of magnitude under several settings for estimating ground-state and excited-state energies of certain quantum systems.

quant-ph↗

arXiv2023

On optimal bases for multiscale PDEs and Bayesian homogenization

PDE solutions are numerically represented by basis functions. Classical methods employ pre-defined bases that encode minimum desired PDE properties, which naturally cause redundant computations. What are the best bases to numerically represent PDE solutions? From the analytical perspective, the Kolmogorov $n$-width is a popular criterion for selecting representative basis functions. From the Bayesian computation perspective, the concept of optimality selects the modes that, when known, minimize the variance of the conditional distribution of the rest of the solution. We show that these two definitions of optimality are equivalent. Numerically, both criteria reduce to solving a Singular Value Decomposition (SVD), a procedure that can be made numerically efficient through randomized sampling. We demonstrate computationally the effectiveness of the basis functions so obtained on several linear and nonlinear problems. In all cases, the optimal accuracy is achieved with a small set of basis functions.

math.NA↗

arXiv2022

High-frequency limit of the inverse scattering problem: asymptotic convergence from inverse Helmholtz to inverse Liouville

We investigate the asymptotic relation between the inverse problems relying on the Helmholtz equation and the radiative transfer equation (RTE) as physical models, in the high-frequency limit. In particular, we evaluate the asymptotic convergence of a generalized version of inverse scattering problem based on the Helmholtz equation, to the inverse scattering problem of the Liouville equation (a simplified version of RTE). The two inverse problems are connected through the Wigner transform that translates the wave-type description on the physical space to the kinetic-type description on the phase space, and the Husimi transform that models data localized both in location and direction. The finding suggests that impinging tightly concentrated monochromatic beams can indeed provide stable reconstruction of the medium, asymptotically in the high-frequency regime. This fact stands in contrast with the unstable reconstruction for the classical inverse scattering problem when the probing signals are plane-waves.

math.NA↗

arXiv2022

A reduced order Schwarz method for nonlinear multiscale elliptic equations based on two-layer neural networks

Neural networks are powerful tools for approximating high dimensional data that have been used in many contexts, including solution of partial differential equations (PDEs). We describe a solver for multiscale fully nonlinear elliptic equations that makes use of domain decomposition, an accelerated Schwarz framework, and two-layer neural networks to approximate the boundary-to-boundary map for the subdomains, which is the key step in the Schwarz procedure. Conventionally, the boundary-to-boundary map requires solution of boundary-value elliptic problems on each subdomain. By leveraging the compressibility of multiscale problems, our approach trains the neural network offline to serve as a surrogate for the usual implementation of the boundary-to-boundary map. Our method is applied to a multiscale semilinear elliptic equation and a multiscale $p$-Laplace equation. In both cases we demonstrate significant improvement in efficiency as well as good accuracy and generalization performance.

math.NA↗

arXiv2021

On the Global Convergence of Gradient Descent for multi-layer ResNets in the mean-field regime

Finding the optimal configuration of parameters in ResNet is a nonconvex minimization problem, but first-order methods nevertheless find the global optimum in the overparameterized regime. We study this phenomenon with mean-field analysis, by translating the training process of ResNet to a gradient-flow partial differential equation (PDE) and examining the convergence properties of this limiting process. The activation function is assumed to be $2$-homogeneous or partially $1$-homogeneous; the regularized ReLU satisfies the latter condition. We show that if the ResNet is sufficiently large, with depth and width depending algebraically on the accuracy and confidence levels, first-order optimization methods can find global minimizers that fit the training data.

cs.LG↗

arXiv2021

Overparameterization of deep ResNet: zero loss and mean-field analysis

Finding parameters in a deep neural network (NN) that fit training data is a nonconvex optimization problem, but a basic first-order optimization method (gradient descent) finds a global optimizer with perfect fit (zero-loss) in many practical situations. We examine this phenomenon for the case of Residual Neural Networks (ResNet) with smooth activation functions in a limiting regime in which both the number of layers (depth) and the number of weights in each layer (width) go to infinity. First, we use a mean-field-limit argument to prove that the gradient descent for parameter training becomes a gradient flow for a probability distribution that is characterized by a partial differential equation (PDE) in the large-NN limit. Next, we show that under certain assumptions, the solution to the PDE converges in the training time to a zero-loss solution. Together, these results suggest that the training of the ResNet gives a near-zero loss if the ResNet is large enough. We give estimates of the depth and width needed to reduce the loss below a given threshold, with high probability.

cs.LG↗

arXiv2021

Constrained Ensemble Langevin Monte Carlo

The classical Langevin Monte Carlo method looks for samples from a target distribution by descending the samples along the gradient of the target distribution. The method enjoys a fast convergence rate. However, the numerical cost is sometimes high because each iteration requires the computation of a gradient. One approach to eliminate the gradient computation is to employ the concept of ``ensemble." A large number of particles are evolved together so the neighboring particles provide gradient information to each other. In this article, we discuss two algorithms that integrate the ensemble feature into LMC and the associated properties. In particular, we find that if one directly surrogates the gradient using the ensemble approximation, the algorithm, termed Ensemble Langevin Monte Carlo, is unstable due to a high variance term. If the gradients are replaced by the ensemble approximations only in a constrained manner, to protect from the unstable points, the algorithm, termed Constrained Ensemble Langevin Monte Carlo, resembles the classical LMC up to an ensemble error but removes most of the gradient computation.

stat.ML↗

arXiv2021

Langevin Monte Carlo: random coordinate descent and variance reduction

Langevin Monte Carlo (LMC) is a popular Bayesian sampling method. For the log-concave distribution function, the method converges exponentially fast, up to a controllable discretization error. However, the method requires the evaluation of a full gradient in each iteration, and for a problem on $\mathbb{R}^d$, this amounts to $d$ times partial derivative evaluations per iteration. The cost is high when $d\gg1$. In this paper, we investigate how to enhance computational efficiency through the application of RCD (random coordinate descent) on LMC. There are two sides of the theory: 1 By blindly applying RCD to LMC, one surrogates the full gradient by a randomly selected directional derivative per iteration. Although the cost is reduced per iteration, the total number of iteration is increased to achieve a preset error tolerance. Ultimately there is no computational gain; 2 We then incorporate variance reduction techniques, such as SAGA (stochastic average gradient) and SVRG (stochastic variance reduced gradient), into RCD-LMC. It will be proved that the cost is reduced compared with the classical LMC, and in the underdamped case, convergence is achieved with the same number of iterations, while each iteration requires merely one-directional derivative. This means we obtain the best possible computational cost in the underdamped-LMC framework.

stat.ML↗

arXiv2021

Dynamical low-rank integrator for the linear Boltzmann equation: error analysis in the diffusion limit

Dynamical low-rank algorithms are a class of numerical methods that compute low-rank approximations of dynamical systems. This is accomplished by projecting the dynamics onto a low-dimensional manifold and writing the solution directly in terms of the low-rank factors. The approach has been successfully applied to many types of differential equations. Recently, efficient dynamical low-rank algorithms have been applied to treat kinetic equations, including the Vlasov--Poisson and the Boltzmann equation, where it was demonstrated that the methods are able to capture the low-rank structure of the solution and significantly reduce numerical cost, while often maintaining high accuracy. However, no numerical analysis is currently available. In this paper, we investigate the error analysis for a dynamical low-rank algorithm applied to the multi-scale linear Boltzmann equation (a classical model in kinetic theory) to showcase the validity of the application of dynamical low-rank algorithms to kinetic theory. The equation, in its parabolic regime, is known to be rank one theoretically, and we will prove that the scheme can dynamically and automatically capture this low-rank structure. This work thus serves as the first mathematical error analysis for a dynamical low-rank approximation applied to a kinetic problem.

math.NA↗

arXiv2020

Variance reduction for Random Coordinate Descent-Langevin Monte Carlo

Sampling from a log-concave distribution function is one core problem that has wide applications in Bayesian statistics and machine learning. While most gradient free methods have slow convergence rate, the Langevin Monte Carlo (LMC) that provides fast convergence requires the computation of gradients. In practice one uses finite-differencing approximations as surrogates, and the method is expensive in high-dimensions. A natural strategy to reduce computational cost in each iteration is to utilize random gradient approximations, such as random coordinate descent (RCD) or simultaneous perturbation stochastic approximation (SPSA). We show by a counter-example that blindly applying RCD does not achieve the goal in the most general setting. The high variance induced by the randomness means a larger number of iterations are needed, and this balances out the saving in each iteration. We then introduce a new variance reduction approach, termed Randomized Coordinates Averaging Descent (RCAD), and incorporate it with both overdamped and underdamped LMC. The methods are termed RCAD-O-LMC and RCAD-U-LMC respectively. The methods still sit in the random gradient approximation framework, and thus the computational cost in each iteration is low. However, by employing RCAD, the variance is reduced, so the methods converge within the same number of iterations as the classical overdamped and underdamped LMC. This leads to a computational saving overall.

stat.ML↗