arXiv subjects

Di Fang

Publications and source records attributed to Di Fang.

35 records · Page 2Linked to original sources

arXiv2025

Mixing Time of Open Quantum Systems via Hypocoercivity

Understanding the mixing of open quantum systems is a fundamental problem in physics and quantum information science. Existing approaches for estimating the mixing time often rely on the spectral gap estimation of the Lindbladian generator, which can be challenging to obtain in practice. We propose a novel theoretical framework to estimate the mixing time of open quantum systems that treats the Hamiltonian and dissipative part separately, thus circumventing the need for a priori estimation of the spectral gap of the full Lindbladian generator. This framework yields mixing time estimates for a class of quantum systems that are otherwise hard to analyze, even though it does not apply to arbitrary Lindbladians. The technique is based on the construction of an energy functional inspired by the hypocoercivity of (classical) kinetic theory.

quant-ph↗

arXiv2024

Online Analytic Exemplar-Free Continual Learning with Large Models for Imbalanced Autonomous Driving Task

In autonomous driving, even a meticulously trained model can encounter failures when facing unfamiliar scenarios. One of these scenarios can be formulated as an online continual learning (OCL) problem. That is, data come in an online fashion, and models are updated according to these streaming data. Two major OCL challenges are catastrophic forgetting and data imbalance. To address these challenges, in this paper, we propose an Analytic Exemplar-Free Online Continual Learning algorithm (AEF-OCL). The AEF-OCL leverages analytic continual learning principles and employs ridge regression as a classifier for features extracted by a large backbone network. It solves the OCL problem by recursively calculating the analytical solution, ensuring an equalization between the continual learning and its joint-learning counterpart, and works without the need to save any used samples (i.e., exemplar-free). Additionally, we introduce a Pseudo-Features Generator (PFG) module that recursively estimates the mean and the variance of real features for each class. It over-samples offset pseudo-features from the same normal distribution as the real features, thereby addressing the data imbalance issue. Experimental results demonstrate that despite being an exemplar-free strategy, our method outperforms various methods on the autonomous driving SODA10M dataset. Source code is available at https://github.com/ZHUANGHP/Analytic-continual-learning.

cs.LG↗

arXiv2024

GACL: Exemplar-Free Generalized Analytic Continual Learning

Class incremental learning (CIL) trains a network on sequential tasks with separated categories in each task but suffers from catastrophic forgetting, where models quickly lose previously learned knowledge when acquiring new tasks. The generalized CIL (GCIL) aims to address the CIL problem in a more real-world scenario, where incoming data have mixed data categories and unknown sample size distribution. Existing attempts for the GCIL either have poor performance or invade data privacy by saving exemplars. In this paper, we propose a new exemplar-free GCIL technique named generalized analytic continual learning (GACL). The GACL adopts analytic learning (a gradient-free training technique) and delivers an analytical (i.e., closed-form) solution to the GCIL scenario. This solution is derived via decomposing the incoming data into exposed and unexposed classes, thereby attaining a weight-invariant property, a rare yet valuable property supporting an equivalence between incremental learning and its joint training. Such an equivalence is crucial in GCIL settings as data distributions among different tasks no longer pose challenges to adopting our GACL. Theoretically, this equivalence property is validated through matrix analysis tools. Empirically, we conduct extensive experiments where, compared with existing GCIL methods, our GACL exhibits a consistently leading performance across various datasets and GCIL settings. Source code is available at https://github.com/CHEN-YIZHU/GACL.

cs.LG↗

arXiv2024

Uniform observable error bounds of Trotter formulae for the semiclassical Schrödinger equation

Known as no fast-forwarding theorem in quantum computing, the simulation time for the Hamiltonian evolution needs to be $O(\|H\| t)$ in the worst case, which essentially states that one can not go across the multiple scales as the simulation time for the Hamiltonian evolution needs to be strictly greater than the physical time. We demonstrated in the context of the semiclassical Schrödinger equation that the computational cost for a class of observables can be much lower than the state-of-the-art bounds. In the semiclassical regime (the effective Planck constant $h \ll 1$), the operator norm of the Hamiltonian is $O(h^{-1})$. We show that the number of Trotter steps used for the observable evolution can be $O(1)$, that is, to simulate some observables of the Schrödinger equation on a quantum scale only takes the simulation time comparable to the classical scale. In terms of error analysis, we improve the additive observable error bounds [Lasser-Lubich 2020] to uniform-in-$h$ observable error bounds. This is, to our knowledge, the first uniform observable error bound for semiclassical Schrödinger equation without sacrificing the convergence order of the numerical method. Based on semiclassical calculus and discrete microlocal analysis, our result showcases the potential improvements taking advantage of multiscale properties, such as the smallness of the effective Planck constant, of the underlying dynamics and sheds light on going across the scale for quantum dynamics simulation.

quant-ph↗

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.

quant-ph↗

arXiv2023

Time-marching based quantum solvers for time-dependent linear differential equations

The time-marching strategy, which propagates the solution from one time step to the next, is a natural strategy for solving time-dependent differential equations on classical computers, as well as for solving the Hamiltonian simulation problem on quantum computers. For more general linear differential equations, a time-marching based quantum solver can suffer from exponentially vanishing success probability with respect to the number of time steps and is thus considered impractical. We solve this problem by repeatedly invoking a technique called the uniform singular value amplification, and the overall success probability can be lower bounded by a quantity that is independent of the number of time steps. The success probability can be further improved using a compression gadget lemma. This provides a path of designing quantum differential equation solvers that is alternative to those based on quantum linear systems algorithms (QLSA). We demonstrate the performance of the time-marching strategy with a high-order integrator based on the truncated Dyson series. The complexity of the algorithm depends linearly on the amplification ratio, which quantifies the deviation from a unitary dynamics. We prove that the linear dependence on the amplification ratio attains the query complexity lower bound and thus cannot be improved in the worst case. This algorithm also surpasses existing QLSA based solvers in three aspects: (1) the coefficient matrix $A(t)$ does not need to be diagonalizable. (2) $A(t)$ can be non-smooth, and is only of bounded variation. (3) It can use fewer queries to the initial state. Finally, we demonstrate the time-marching strategy with a first-order truncated Magnus series, while retaining the aforementioned benefits. Our analysis also raises some open questions concerning the differences between time-marching and QLSA based methods for solving differential equations.

quant-ph↗

arXiv2022

Observable Error Bounds of the Time-splitting Scheme for Quantum-Classical Molecular Dynamics

Quantum-classical molecular dynamics, as a partial classical limit of the full quantum Schrödinger equation, is a widely used framework for quantum molecular dynamics. The underlying equations are nonlinear in nature, containing a quantum part (represents the electrons) and a classical part (stands for the nuclei). An accurate simulation of the wave function typically requires a time step comparable to the rescaled Planck constant $h$, resulting in a formidable cost when $h\ll 1$. We prove an additive observable error bound of Schwartz observables for the proposed time-splitting schemes based on semiclassical analysis, which decreases as $h$ becomes smaller. Furthermore, we establish a uniform-in-$h$ observable error bound, which allows an $\mathcal{O}(1)$ time step to accurately capture the physical observable regardless of the size of $h$. Numerical results verify our estimates.

math.NA↗

arXiv2022

Learning many-body Hamiltonians with Heisenberg-limited scaling

Learning a many-body Hamiltonian from its dynamics is a fundamental problem in physics. In this work, we propose the first algorithm to achieve the Heisenberg limit for learning an interacting $N$-qubit local Hamiltonian. After a total evolution time of $\mathcal{O}(ε^{-1})$, the proposed algorithm can efficiently estimate any parameter in the $N$-qubit Hamiltonian to $ε$-error with high probability. The proposed algorithm is robust against state preparation and measurement error, does not require eigenstates or thermal states, and only uses $\mathrm{polylog}(ε^{-1})$ experiments. In contrast, the best previous algorithms, such as recent works using gradient-based optimization or polynomial interpolation, require a total evolution time of $\mathcal{O}(ε^{-2})$ and $\mathcal{O}(ε^{-2})$ experiments. Our algorithm uses ideas from quantum simulation to decouple the unknown $N$-qubit Hamiltonian $H$ into noninteracting patches, and learns $H$ using a quantum-enhanced divide-and-conquer approach. We prove a matching lower bound to establish the asymptotic optimality of our algorithm.

quant-ph↗

arXiv2022

Asymptotic analysis of diabatic surface hopping algorithm in the adiabatic and non-adiabatic limits

Surface hopping algorithms, as an important class of quantum dynamics simulation algorithms for non-adiabatic dynamics, are typically performed in the adiabatic representation, which can break down in the presence of ill-defined adiabatic potential energy surfaces (PESs) and adiabatic coupling term. Another issue of surface hopping algorithms is the difficulty in capturing the correct scaling of the transition rate in the Marcus (weak-coupling/non-adiabatic) regime. Though the first issue can be circumvented by exploiting the diabatic representation, diabatic surface hopping algorithms usually lack justification on the theoretical level. We consider the diabatic surface hopping algorithm proposed in [Fang, Lu. Multiscale Model. Simul. 16:4, 1603-1622, 2018] and provide the asymptotic analysis of the transition rate in the Marcus regime that justifies the correct scaling for the spin-boson model. We propose two conditions that guarantee the correctness for general potentials. In the opposite (strong-coupling/adiabatic) regime, we derive the asymptotic behavior of the algorithm that interestingly matches a type of mean-field description. The techniques used here may shed light on the analysis for other diabatic-based algorithms.

math.NA↗

arXiv2022

Time-dependent Hamiltonian Simulation of Highly Oscillatory Dynamics and Superconvergence for Schrödinger Equation

We propose a simple quantum algorithm for simulating highly oscillatory quantum dynamics, which does not require complicated quantum control logic for handling time-ordering operators. To our knowledge, this is the first quantum algorithm that is both insensitive to the rapid changes of the time-dependent Hamiltonian and exhibits commutator scaling. Our method can be used for efficient Hamiltonian simulation in the interaction picture. In particular, we demonstrate that for the simulation of the Schrödinger equation, our method exhibits superconvergence and achieves a surprising second order convergence rate, of which the proof rests on a careful application of pseudo-differential calculus. Numerical results verify the effectiveness and the superconvergence property of our method.

quant-ph↗

arXiv2021

Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory

Direct simulation of the von Neumann dynamics for a general (pure or mixed) quantum state can often be expensive. One prominent example is the real-time time-dependent density functional theory (rt-TDDFT), a widely used framework for the first principle description of many-electron dynamics in chemical and materials systems. Practical rt-TDDFT calculations often avoid the direct simulation of the von Neumann equation, and solve instead a set of Schrödinger equations, of which the dynamics is equivalent to that of the von Neumann equation. However, the time step size employed by the Schrödinger dynamics is often much smaller. In order to improve the time step size and the overall efficiency of the simulation, we generalize a recent work of the parallel transport (PT) dynamics for simulating pure states [An, Lin, Multiscale Model. Simul. 18, 612, 2020] to general quantum states. The PT dynamics provides the optimal gauge choice, and can employ a time step size comparable to that of the von Neumann dynamics. Going beyond the linear and near adiabatic regime in previous studies, we find that the error of the PT dynamics can be bounded by certain commutators between Hamiltonians, density matrices, and their derived quantities. Such a commutator structure is not present in the Schrödinger dynamics. We demonstrate that the parallel transport-implicit midpoint (PT-IM) method is a suitable method for simulating the PT dynamics, especially when the spectral radius of the Hamiltonian is large. The commutator structure of the error bound, and numerical results for model rt-TDDFT calculations in both linear and nonlinear regimes, confirm the advantage of the PT dynamics.

math.NA↗

arXiv2021

Time-dependent unbounded Hamiltonian simulation with vector norm scaling

The accuracy of quantum dynamics simulation is usually measured by the error of the unitary evolution operator in the operator norm, which in turn depends on certain norm of the Hamiltonian. For unbounded operators, after suitable discretization, the norm of the Hamiltonian can be very large, which significantly increases the simulation cost. However, the operator norm measures the worst-case error of the quantum simulation, while practical simulation concerns the error with respect to a given initial vector at hand. We demonstrate that under suitable assumptions of the Hamiltonian and the initial vector, if the error is measured in terms of the vector norm, the computational cost may not increase at all as the norm of the Hamiltonian increases using Trotter type methods. In this sense, our result outperforms all previous error bounds in the quantum simulation literature. Our result extends that of [Jahnke, Lubich, BIT Numer. Math. 2000] to the time-dependent setting. We also clarify the existence and the importance of commutator scalings of Trotter and generalized Trotter methods for time-dependent Hamiltonian simulations.

quant-ph↗

arXiv2018

Numerical study of ergodicity for the overdamped Generalized Langevin Equation with fractional noise

The Generalized Langevin Equation, in history, arises as a natural fix for the rather traditional Langevin equation when the random force is no longer memoryless. It has been proved that with fractional Gaussian noise (fGn) mostly considered by biologists, the overdamped Generalized Langevin equation satisfying fluctuation-dissipation theorem can be written as a fractional stochastic differential equation (FSDE). While the ergodicity is clear for linear forces, it remains less transparent for nonlinear forces. In this work, we present both a direct and a fast algorithm respectively to this FSDE model. The strong orders of convergence are proved for both schemes, where the role of the memory effects can be clearly observed. We verify the convergence theorems using linear forces, and then present the ergodicity study of the double well potentials in both 1D and 2D setups.

math.NA↗

arXiv2018

Emergent behaviors of the Cucker-Smale ensemble under attractive-repulsive couplings and Rayleigh frictions

In this paper, we revisit an interaction problem of two homogeneous Cucker-Smale (in short C-S) ensembles with attractive-repulsive couplings, possibly under the effect of Rayleigh friction, and study three sufficient frameworks leading to bi-cluster flocking in which two sub-ensembles evolve to two-clusters departing from each other. In previous literature, the interaction problem has been studied in the context of attractive couplings. In our interaction problem, inter-ensemble and intra-ensemble couplings are assumed to be repulsive and attractive respectively. When the Rayleigh frictional forces are turned on, we show that the total kinetic energy is uniformly bounded so that spatially mixed initial configurations evolve toward the bi-cluster configuration asymptotically fast under some suitable conditions on system parameters, communication weight functions and initial configurations. In contrast, when Rayleigh frictional forces are turned off, the flocking analysis is more delicate mainly due to the possibility of an exponential growth of the kinetic energy. In this case, we employ two mutually disjoint frameworks with constant inter-ensemble communication function and exponentially localized inter-ensemble communication functions respectively, and prove the bi-clustering phenomenon in both cases. This work extends the previous work on the interaction problem of C-S ensembles. We also conduct several numerical experiments and compare them with our theoretical results.

math.DS↗

arXiv2017

An Efficient Time-splitting Method for the Ehrenfest Dynamics

The Ehrenfest dynamics, representing a quantum-classical mean-field type coupling, is a widely used approximation in quantum molecular dynamics. In this paper, we propose a time-splitting method for an Ehrenfest dynamics, in the form of a nonlinearly coupled Schrödinger-Liouville system. We prove that our splitting scheme is stable uniformly with respect to the semiclassical parameter, and, moreover, that it preserves a discrete semiclassical limit. Thus one can accurately compute physical observables using time steps induced only by the classical Liouville equation, i.e., independent of the small semiclassical parameter - in addition to classical mesh sizes for the Liouville equation. Numerical examples illustrate the validity of our meshing strategy.

math.NA↗

arXiv2017

A Diabatic Surface Hopping Algorithm based on Time Dependent Perturbation Theory and Semiclassical Analysis

Surface hopping algorithms are popular tools to study dynamics of the quantum-classical mixed systems. In this paper, we propose a surface hopping algorithm in diabatic representations, based on time dependent perturbation theory and semiclassical analysis. The algorithm can be viewed as a Monte Carlo sampling algorithm on the semiclassical path space for piecewise deterministic path with stochastic jumps between the energy surfaces. The algorithm is validated numerically and it shows good performance in both weak coupling and avoided crossing regimes.

math.NA↗

arXiv2014

Limited Feedback-Based Interference Alignment for Interfering Multi-Access Channels

A limited feedback-based interference alignment (IA) scheme is proposed for the interfering multi-access channel (IMAC). By employing a novel performance-oriented quantization strategy, the proposed scheme is able to achieve the minimum overall residual inter-cell interference (ICI) with the optimized transceivers under limited feedback. Consequently, the scheme outperforms the existing counterparts in terms of system throughput. In addition, the proposed scheme can be implemented with flexible antenna configurations.

cs.IT↗