arXiv subjects

Jin-Peng Liu

Publications and source records attributed to Jin-Peng Liu.

36 records · Page 2Linked to original sources

arXiv2025

BELT: Block Encoding of Linear Transformation on Density Matrices

Linear maps that are not completely positive play a crucial role in the study of quantum information, yet their non-completely positive nature renders them challenging to realize physically. The core difficulty lies in the fact that when acting such a map $\mathcal{N}$ on a state $ρ$, $\mathcal{N}(ρ)$ may not correspond to a valid density matrix, making it difficult to prepare directly in a physical system. We introduce Block Encoding of Linear Transformation (BELT), a systematic protocol that simulates arbitrary linear maps by embedding the output $\mathcal{N}(ρ)$ into a block of a unitary operator. BELT enables the manipulation and extraction of information about $\mathcal{N}(ρ)$ through coherent quantum evolution. Notably, BELT accommodates maps that fall outside the scope of quantum singular value transformation, such as the transpose map. BELT finds applications in entanglement detection, quantum channel inversion, and simulating pseudo-differential operators, and demonstrates improved sample complexity compared to protocols based on Hermitian-preserving map exponentiation.

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arXiv2025

Quantum differential equation solvers: limitations and fast-forwarding

We study the limitations and fast-forwarding of quantum algorithms for linear ordinary differential equation (ODE) systems with a particular focus on non-quantum dynamics, where the coefficient matrix in the ODE is not anti-Hermitian or the ODE is inhomogeneous. On the one hand, for generic linear ODEs, by proving worst-case lower bounds, we show that quantum algorithms suffer from computational overheads due to two types of ``non-quantumness'': real part gap and non-normality of the coefficient matrix. We then show that homogeneous ODEs in the absence of both types of ``non-quantumness'' are equivalent to quantum dynamics, and reach the conclusion that quantum algorithms for quantum dynamics work best. To obtain these lower bounds, we propose a general framework for proving lower bounds on quantum algorithms that are amplifiers, meaning that they amplify the difference between a pair of input quantum states. On the other hand, we show how to fast-forward quantum algorithms for solving special classes of ODEs which leads to improved efficiency. More specifically, we obtain exponential improvements in both $T$ and the spectral norm of the coefficient matrix for inhomogeneous ODEs with efficiently implementable eigensystems, including various spatially discretized linear evolutionary partial differential equations. We give fast-forwarding algorithms that are conceptually different from existing ones in the sense that they neither require time discretization nor solving high-dimensional linear systems.

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arXiv2025

Arbitrary Boundary Conditions and Constraints in Quantum Algorithms for Differential Equations via Penalty Projections

Complicated boundary conditions are essential to accurately describe phenomena arising in nature and engineering. Recently, the investigation of a potential speedup through quantum algorithms in simulating the governing ordinary and partial differential equations of such phenomena has gained increasing attention. We design an efficient quantum algorithms for solving differential equations with arbitrary boundary conditions. Specifically, we propose an approach to enforce arbitrary boundary conditions and constraints through adding a penalty projection to the governing equations. Assuming a fast-forwardable representation of the projection to ensure an efficient interaction picture imulation, the cost of to enforce the constraints is at most $O(\logλ)$ in the strength of the penalty $λ$ in the gate complexity; in the worst case, this goes as $O([\|v(0)\|^2\|A_0\| + \|b\|_{L^1[0;t]}^2)]t^2/\varepsilon)$, for precision $\varepsilon$ and a dynamical system $\frac{\rm d}{{\rm d}t} v(t) = A_0(t) v(t) + b(t)$ with negative semidefinite $A_0(t)$ of size $n^d\times n^d$. E.g., for the heat equation, this leads to a gate complexity overhead of $\widetilde O(d\log n + \log t)$. We show constraint error bounds for the penalty approach and provide validating numerical experiments, and estimate the circuit complexity using the Linear Combination of Hamiltonian Simulation.

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arXiv2025

Explicit block encodings of boundary value problems for many-body elliptic operators

Simulation of physical systems is one of the most promising use cases of future digital quantum computers. In this work we systematically analyze the quantum circuit complexities of block encoding the discretized elliptic operators that arise extensively in numerical simulations for partial differential equations, including high-dimensional instances for many-body simulations. When restricted to rectangular domains with separable boundary conditions, we provide explicit circuits to block encode the many-body Laplacian with separable periodic, Dirichlet, Neumann, and Robin boundary conditions, using standard discretization techniques from low-order finite difference methods. To obtain high-precision, we introduce a scheme based on periodic extensions to solve Dirichlet and Neumann boundary value problems using a high-order finite difference method, with only a constant increase in total circuit depth and subnormalization factor. We then present a scheme to implement block encodings of differential operators acting on more arbitrary domains, inspired by Cartesian immersed boundary methods. We then block encode the many-body convective operator, which describes interacting particles experiencing a force generated by a pair-wise potential given as an inverse power law of the interparticle distance. This work provides concrete recipes that are readily translated into quantum circuits, with depth logarithmic in the total Hilbert space dimension, that block encode operators arising broadly in applications involving the quantum simulation of quantum and classical many-body mechanics.

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arXiv2025

Toward end-to-end quantum simulation for protein dynamics

Modeling and simulating the protein folding process overall remains a grand challenge in computational biology. We systematically investigate end-to-end quantum algorithms for simulating various protein dynamics with effects, such as mechanical forces or stochastic noises. A major focus is the read-in of system settings for simulation, for which we discuss (i) efficient quantum algorithms to prepare initial states--whether for ensemble or single-state simulations, in particular, the first efficient procedure for preparing Gaussian pseudo-random amplitude states, and (ii) the first efficient loading of the connectivity matrices of the protein structure. For the read-out stage, our algorithms estimate a range of classical observables, including energy, low-frequency vibrational modes, density of states, displacement correlations, and optimal control parameters. Between these stages, we simulate the dynamic evolution of the protein system, by using normal mode models--such as Gaussian network models (GNM) and all-atom normal mode models. In addition, we conduct classical numerical experiments focused on accurately estimating the density of states and applying optimal control to facilitate conformational changes. These experiments serve to validate our claims regarding potential quantum speedups. Overall, our study demonstrates that quantum simulation of protein dynamics represents a robust, end-to-end application for both early-stage and fully fault-tolerant quantum computing.

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arXiv2025

Infinite-dimensional Extension of the Linear Combination of Hamiltonian Simulation: Theorems and Applications

We generalize the Linear Combination of Hamiltonian Simulation (LCHS) formula [An, Liu, Lin, Phys. Rev. Lett. 2023] to simulate time-evolution operators in infinite-dimensional spaces, including scenarios involving unbounded operators. This extension, named Inf-LCHS for short, bridges the gap between finite-dimensional quantum simulations and the broader class of infinite-dimensional quantum dynamics governed by partial differential equations (PDEs). Furthermore, we propose two sampling methods by integrating the infinite-dimensional LCHS with Gaussian quadrature schemes (Inf-LCHS-Gaussian) or Monte Carlo integration schemes (Inf-LCHS-MC). We demonstrate the applicability of the Inf-LCHS theorem to a wide range of non-Hermitian dynamics, including linear parabolic PDEs, queueing models (birth-or-death processes), Schrödinger equations with complex potentials, Lindblad equations, and black hole thermal field equations. Our analysis provides insights into simulating general linear dynamics using a finite number of quantum dynamics and includes cost estimates for the corresponding quantum algorithms.

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arXiv2024

Provably Efficient Adiabatic Learning for Quantum-Classical Dynamics

Quantum-classical hybrid dynamics is crucial for accurately simulating complex systems where both quantum and classical behaviors need to be considered. However, coupling between classical and quantum degrees of freedom and the exponential growth of the Hilbert space present significant challenges. Current machine learning approaches for predicting such dynamics, while promising, remain unknown in their error bounds, sample complexity, and generalizability. In this work, we establish a generic theoretical framework for analyzing quantum-classical adiabatic dynamics with learning algorithms. Based on quantum information theory, we develop a provably efficient adiabatic learning (PEAL) algorithm with logarithmic system size sampling complexity and favorable time scaling properties. We benchmark PEAL on the Holstein model, and demonstrate its accuracy in predicting single-path dynamics and ensemble dynamics observables as well as transfer learning over a family of Hamiltonians. Our framework and algorithm open up new avenues for reliable and efficient learning of quantum-classical dynamics.

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arXiv2024

Dense outputs from quantum simulations

The quantum dense output problem is the process of evaluating time-accumulated observables from time-dependent quantum dynamics using quantum computers. This problem arises frequently in applications such as quantum control and spectroscopic computation. We present a range of algorithms designed to operate on both early and fully fault-tolerant quantum platforms. These methodologies draw upon techniques like amplitude estimation, Hamiltonian simulation, quantum linear Ordinary Differential Equation (ODE) solvers, and quantum Carleman linearization. We provide a comprehensive complexity analysis with respect to the evolution time $T$ and error tolerance $ε$. Our results demonstrate that the linearization approach can nearly achieve optimal complexity $\mathcal{O}(T/ε)$ for a certain type of low-rank dense outputs. Moreover, we provide a linearization of the dense output problem that yields an exact and finite-dimensional closure which encompasses the original states. This formulation is related to the Koopman Invariant Subspace theory and may be of independent interest in nonlinear control and scientific machine learning.

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arXiv2023

Towards provably efficient quantum algorithms for large-scale machine-learning models

Large machine learning models are revolutionary technologies of artificial intelligence whose bottlenecks include huge computational expenses, power, and time used both in the pre-training and fine-tuning process. In this work, we show that fault-tolerant quantum computing could possibly provide provably efficient resolutions for generic (stochastic) gradient descent algorithms, scaling as O(T^2 polylog(n)), where n is the size of the models and T is the number of iterations in the training, as long as the models are both sufficiently dissipative and sparse, with small learning rates. Based on earlier efficient quantum algorithms for dissipative differential equations, we find and prove that similar algorithms work for (stochastic) gradient descent, the primary algorithm for machine learning. In practice, we benchmark instances of large machine learning models from 7 million to 103 million parameters. We find that, in the context of sparse training, a quantum enhancement is possible at the early stage of learning after model pruning, motivating a sparse parameter download and re-upload scheme. Our work shows solidly that fault-tolerant quantum algorithms could potentially contribute to most state-of-the-art, large-scale machine-learning problems.

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arXiv2023

Efficient quantum algorithm for nonlinear reaction-diffusion equations and energy estimation

Nonlinear differential equations exhibit rich phenomena in many fields but are notoriously challenging to solve. Recently, Liu et al. [1] demonstrated the first efficient quantum algorithm for dissipative quadratic differential equations under the condition $R < 1$, where $R$ measures the ratio of nonlinearity to dissipation using the $\ell_2$ norm. Here we develop an efficient quantum algorithm based on [1] for reaction-diffusion equations, a class of nonlinear partial differential equations (PDEs). To achieve this, we improve upon the Carleman linearization approach introduced in [1] to obtain a faster convergence rate under the condition $R_D < 1$, where $R_D$ measures the ratio of nonlinearity to dissipation using the $\ell_{\infty}$ norm. Since $R_D$ is independent of the number of spatial grid points $n$ while $R$ increases with $n$, the criterion $R_D<1$ is significantly milder than $R<1$ for high-dimensional systems and can stay convergent under grid refinement for approximating PDEs. As applications of our quantum algorithm we consider the Fisher-KPP and Allen-Cahn equations, which have interpretations in classical physics. In particular, we show how to estimate the mean square kinetic energy in the solution by postprocessing the quantum state that encodes it to extract derivative information.

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arXiv2023

Linear combination of Hamiltonian simulation for nonunitary dynamics with optimal state preparation cost

We propose a simple method for simulating a general class of non-unitary dynamics as a linear combination of Hamiltonian simulation (LCHS) problems. LCHS does not rely on converting the problem into a dilated linear system problem, or on the spectral mapping theorem. The latter is the mathematical foundation of many quantum algorithms for solving a wide variety of tasks involving non-unitary processes, such as the quantum singular value transformation (QSVT). The LCHS method can achieve optimal cost in terms of state preparation. We also demonstrate an application for open quantum dynamics simulation using the complex absorbing potential method with near-optimal dependence on all parameters.

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arXiv2022

Escaping From Saddle Points Using Asynchronous Coordinate Gradient Descent

Large-scale non-convex optimization problems are expensive to solve due to computational and memory costs. To reduce the costs, first-order (computationally efficient) and asynchronous-parallel (memory efficient) algorithms are necessary to minimize non-convex functions in machine learning. However, asynchronous-first-order methods applied within non-convex settings run into two difficulties: (i) parallelization delays, which affect convergence by disrupting the monotonicity of first-order methods, and (ii) sub-optimal saddle points where the gradient is zero. To solve these two difficulties, we propose an asynchronous-coordinate-gradient-descent algorithm shown to converge to local minima with a bounded delay. Our algorithm overcomes parallelization-delay issues by using a carefully constructed Hamiltonian function. We prove that our designed kinetic-energy term, incorporated within the Hamiltonian, allows our algorithm to decrease monotonically per iteration. Next, our algorithm steers iterates clear of saddle points by utilizing a perturbation sub-routine. Similar to other state-of-the-art (SOTA) algorithms, we achieve a poly-logarithmic convergence rate with respect to dimension. Unlike other SOTA algorithms, which are synchronous, our work is the first to study how parallelization delays affect the convergence rate of asynchronous first-order algorithms. We prove that our algorithm outperforms synchronous counterparts under large parallelization delays, with convergence depending sublinearly with respect to delays. To our knowledge, this is the first local optima convergence result of a first-order asynchronous algorithm for non-convex settings.

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arXiv2022

Quantum simulation of real-space dynamics

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 $\tilde{O}\bigl(ηd F \text{poly}(\log(g'/ε))\bigr)$, 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 $\text{poly}(g'/ε)$ to $\text{poly}(\log(g'/ε))$ 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 $η^{3}(d+η)T\text{poly}(\log(ηdTg'/(Δε)))/Δ$ one- and two-qubit gates, and another using $η^{3}(4d)^{d/2}T\text{poly}(\log(ηdTg'/(Δε)))/Δ$ 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.

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arXiv2022

Quantum Algorithms for Sampling Log-Concave Distributions and Estimating Normalizing Constants

Given a convex function $f\colon\mathbb{R}^{d}\to\mathbb{R}$, the problem of sampling from a distribution $\propto e^{-f(x)}$ is called log-concave sampling. This task has wide applications in machine learning, physics, statistics, etc. In this work, we develop quantum algorithms for sampling log-concave distributions and for estimating their normalizing constants $\int_{\mathbb{R}^d}e^{-f(x)}\mathrm{d} x$. First, we use underdamped Langevin diffusion to develop quantum algorithms that match the query complexity (in terms of the condition number $κ$ and dimension $d$) of analogous classical algorithms that use gradient (first-order) queries, even though the quantum algorithms use only evaluation (zeroth-order) queries. For estimating normalizing constants, these algorithms also achieve quadratic speedup in the multiplicative error $ε$. Second, we develop quantum Metropolis-adjusted Langevin algorithms with query complexity $\widetilde{O}(κ^{1/2}d)$ and $\widetilde{O}(κ^{1/2}d^{3/2}/ε)$ for log-concave sampling and normalizing constant estimation, respectively, achieving polynomial speedups in $κ,d,ε$ over the best known classical algorithms by exploiting quantum analogs of the Monte Carlo method and quantum walks. We also prove a $1/ε^{1-o(1)}$ quantum lower bound for estimating normalizing constants, implying near-optimality of our quantum algorithms in $ε$.

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arXiv2021

High-precision quantum algorithms for partial differential equations

Quantum computers can produce a quantum encoding of the solution of a system of differential equations exponentially faster than a classical algorithm can produce an explicit description. However, while high-precision quantum algorithms for linear ordinary differential equations are well established, the best previous quantum algorithms for linear partial differential equations (PDEs) have complexity $\mathrm{poly}(1/ε)$, where $ε$ is the error tolerance. By developing quantum algorithms based on adaptive-order finite difference methods and spectral methods, we improve the complexity of quantum algorithms for linear PDEs to be $\mathrm{poly}(d, \log(1/ε))$, where $d$ is the spatial dimension. Our algorithms apply high-precision quantum linear system algorithms to systems whose condition numbers and approximation errors we bound. We develop a finite difference algorithm for the Poisson equation and a spectral algorithm for more general second-order elliptic equations.

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arXiv2021

Solving generalized eigenvalue problems by ordinary differential equations on a quantum computer

Many eigenvalue problems arising in practice are often of the generalized form $A\x=λB\x$. One particularly important case is symmetric, namely $A, B$ are Hermitian and $B$ is positive definite. The standard algorithm for solving this class of eigenvalue problems is to reduce them to Hermitian eigenvalue problems. For a quantum computer, quantum phase estimation is a useful technique to solve Hermitian eigenvalue problems. In this work, we propose a new quantum algorithm for symmetric generalized eigenvalue problems using ordinary differential equations. The algorithm has lower complexity than the standard one based on quantum phase estimation. Moreover, it works for a wider case than symmetric: $B$ is invertible, $B^{-1}A$ is diagonalizable and all the eigenvalues are real.

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arXiv2021

Quantum-accelerated multilevel Monte Carlo methods for stochastic differential equations in mathematical finance

Inspired by recent progress in quantum algorithms for ordinary and partial differential equations, we study quantum algorithms for stochastic differential equations (SDEs). Firstly we provide a quantum algorithm that gives a quadratic speed-up for multilevel Monte Carlo methods in a general setting. As applications, we apply it to compute expectation values determined by classical solutions of SDEs, with improved dependence on precision. We demonstrate the use of this algorithm in a variety of applications arising in mathematical finance, such as the Black-Scholes and Local Volatility models, and Greeks. We also provide a quantum algorithm based on sublinear binomial sampling for the binomial option pricing model with the same improvement.

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arXiv2019

Quantum spectral methods for differential equations

Recently developed quantum algorithms address computational challenges in numerical analysis by performing linear algebra in Hilbert space. Such algorithms can produce a quantum state proportional to the solution of a $d$-dimensional system of linear equations or linear differential equations with complexity $\mathrm{poly}(\log d)$. While several of these algorithms approximate the solution to within $ε$ with complexity $\mathrm{poly}(\log(1/ε))$, no such algorithm was previously known for differential equations with time-dependent coefficients. Here we develop a quantum algorithm for linear ordinary differential equations based on so-called spectral methods, an alternative to finite difference methods that approximates the solution globally. Using this approach, we give a quantum algorithm for time-dependent initial and boundary value problems with complexity $\mathrm{poly}(\log d, \log(1/ε))$.

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