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Erika Ye

Publications and source records attributed to Erika Ye.

10 recordsLinked to original sources

A practical investigation on time integration in the quantized tensor train format

Quantized tensor trains (QTTs) are a multiscale computational framework that can potentially reduce the computational cost of solving partial differential equations and initial value problems by making low-rank approximations. However, its use is somewhat limited in practice, in part due to the challenges that arise when making low-rank approximations of the quantized data. For example, when performing long-time dynamical numerical simulations, it has been observed that the accumulation of numerical errors arising from both the discretization of the partial differential equation itself and the low-rank approximation can lead to increased rank and noise-dominated results. Focusing on a set of advection-dominated test problems relevant to electromagnetic plasmas and electromagnetic fields, this work investigates how the choice in time integrator, the addition of numerical dissipation, and the choice in problem representation can affect the efficiency and success of the QTT calculations.

physics.comp-ph

Time integration of quantized tensor trains using the interpolative dynamical low-rank approximation

Quantized tensor trains (QTTs) are a low-rank and multiscale framework that allows for efficient approximation and manipulation of multi-dimensional, high resolution data. One area of active research is their use in numerical simulation of hyperbolic systems such as the Navier-Stokes equations and the Vlasov equations. One popular time integration scheme is the dynamical low-rank approximation (DLRA), in which the time integration is constrained to a low-rank manifold. However, until recently, DLRA has typically used orthogonal projectors to project the original dynamical system into a reduced space, which is only well-suited for linear systems. DLRA has also mostly been investigated in the context of non-quantized tensor trains. This work investigates interpolative DLRA schemes in which the low-rank manifold is constructed from aptly chosen interpolation points and interpolating polynomials, in the context of QTTs. Through various examples, its performance is compared to its orthogonal counterpart. This work demonstrates how interpolative DLRA is suitable for nonlinear systems and time integrators requiring nonlinear element-wise operations, such as upwind time integration schemes.

math.NA

RELift: Learned Coarse-to-Fine Propagators for Time-Dependent PDEs with Applications to Electron Dynamics

We present RELift (Restrict, Evolve, Lift), a two-phase learning framework that couples coarse-grid numerical solvers with neural operators to super-resolve and forecast fine-grid dynamics for time-dependent partial differential equations (PDEs). In Phase 1, RELift learns a super-resolution operator that maps the solution on a coarse grid to a fine grid. In Phase 2, this learned operator is composed with a coarse-grid numerical integrator to construct an effective fine-grid propagator for the governing equation. We benchmark RELift on three canonical two-dimensional PDEs of increasing dynamical complexity -- the heat equation, the wave equation, and the incompressible Navier--Stokes equations -- and we further demonstrate its performance on a kinetic electron dynamics case study via the 1D1V Vlasov--Poisson system. Across all examples, RELift delivers high-fidelity super-resolution (Phase 1) and accurate long-horizon rollouts (Phase 2), outperforming standard super-resolution and neural operator baselines in both field-level error metrics and physics-relevant diagnostics. Finally, we provide error analysis of the effective fine-grid propagator, characterizing how approximation errors accumulate over time and explaining the observed numerical stability of the RELift framework.

math.NA

Inexact subspace projection methods for low-rank tensor eigenvalue problems

We propose inexact subspace iteration for solving high-dimensional eigenvalue problems with low-rank structure. Inexactness stems from low-rank compression, enabling efficient representation of high-dimensional vectors in a low-rank tensor format. A primary challenge in these methods is that standard operations, such as matrix-vector products and linear combinations, increase tensor rank, necessitating rank truncation and hence approximation. We compare the proposed methods with an existing inexact Lanczos method with low-rank compression. This method constructs an approximate orthonormal Krylov basis, which is often difficult to represent accurately in low-rank tensor formats, even when the eigenvectors themselves exhibit low-rank structure. In contrast, inexact subspace iteration uses approximate eigenvectors (Ritz vectors) directly as a subspace basis, bypassing the need for an orthonormal Krylov basis. Our analysis and numerical experiments demonstrate that inexact subspace iteration is much more robust to rank-truncation errors compared to the inexact Lanczos method. We also demonstrate that rank-truncated subspace iteration can converge for problems where the DMRG method stagnates. Furthermore, the proposed subspace iteration methods do not require a Hermitian matrix, in contrast to Lanczos and DMRG, which are designed specifically for Hermitian matrices.

math.NA

Quantized tensor networks for solving the Vlasov-Maxwell equations

The Vlasov-Maxwell equations provide an \textit{ab-initio} description of collisionless plasmas, but solving them is often impractical because of the wide range of spatial and temporal scales that must be resolved and the high dimensionality of the problem. In this work, we present a quantum-inspired semi-implicit Vlasov-Maxwell solver that utilizes the quantized tensor network (QTN) framework. With this QTN solver, the cost of grid-based numerical simulation of size $N$ is reduced from $\mathcal{O}(N)$ to $\mathcal{O}(\text{poly}(D))$, where $D$ is the ``rank'' or ``bond dimension'' of the QTN and is typically set to be much smaller than $N$. We find that for the five-dimensional test problems considered here, a modest $D=64$ appears to be sufficient for capturing the expected physics despite the simulations using a total of $N=2^{36}$ grid points, \edit{which would require $D=2^{18}$ for full-rank calculations}. Additionally, we observe that a QTN time evolution scheme based on the Dirac-Frenkel variational principle allows one to use somewhat larger time steps than prescribed by the Courant-Friedrichs-Lewy (CFL) constraint. As such, this work demonstrates that the QTN format is a promising means of approximately solving the Vlasov-Maxwell equations with significantly reduced cost.

physics.comp-ph

A quantum algorithm for the linear Vlasov equation with collisions

The Vlasov equation is a nonlinear partial differential equation that provides a first-principles description of the dynamics of plasmas. Its linear limit is routinely used in plasma physics to investigate plasma oscillations and stability. In this work, we present a quantum algorithm that simulates the linearized Vlasov equation with and without collisions, in the one-dimensional, electrostatic limit. Rather than solving this equation in its native spatial and velocity phase-space, we adopt an efficient representation in the dual space yielded by a Fourier-Hermite expansion. The Fourier-Hermite representation is exponentially more compact, thus yielding a classical algorithm that can match the performance of a previously proposed quantum algorithm for this problem. This representation results in a system of linear ordinary differential equations which can be solved with well-developed quantum algorithms: Hamiltonian simulation in the collisionless case, and quantum ODE solvers in the collisional case. In particular, we demonstrate that a quadratic speedup in system size is attainable.

physics.plasm-ph

A quantum-inspired method for solving the Vlasov-Poisson equations

Kinetic simulations of collisionless (or weakly collisional) plasmas using the Vlasov equation are often infeasible due to high resolution requirements and the exponential scaling of computational cost with respect to dimension. Recently, it has been proposed that matrix product state (MPS) methods, a quantum-inspired but classical algorithm, can be used to solve partial differential equations with exponential speed-up, provided that the solution can be compressed and efficiently represented as an MPS within some tolerable error threshold. In this work, we explore the practicality of MPS methods for solving the Vlasov-Poisson equations in 1D1V, and find that important features of linear and nonlinear dynamics, such as damping or growth rates and saturation amplitudes, can be captured while compressing the solution significantly. Furthermore, by comparing the performance of different mappings of the distribution functions onto the MPS, we develop an intuition of the MPS representation and its behavior in the context of solving the Vlasov-Poisson equations, which will be useful for extending these methods to higher dimensional problems.

physics.comp-ph

Constructing Tensor Network Influence Functionals for General Quantum Dynamics

We describe an iterative formalism to compute influence functionals that describe the general quantum dynamics of a subsystem beyond the assumption of linear coupling to a quadratic bath. We use a space-time tensor network representation of the influence functional and investigate its approximability in terms of the bond dimensions and time-like entanglement in the tensor network description. We study two numerical models, the spin-boson model and a model of interacting hard-core bosons in a 1D harmonic trap. We find that the influence functional and the intermediates involved in its construction can be efficiently approximated by low bond dimension tensor networks in certain dynamical regimes, which allows the quantum dynamics to be accurately computed for longer times than with direct time evolution methods. However, as one iteratively integrates out the bath, the correlations in the influence functional can first increase before decreasing, indicating that the final compressibility of the influence functional is achieved via non-trivial cancellation.

quant-ph

Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution

The accurate computation of Hamiltonian ground, excited, and thermal states on quantum computers stands to impact many problems in the physical and computer sciences, from quantum simulation to machine learning. Given the challenges posed in constructing large-scale quantum computers, these tasks should be carried out in a resource-efficient way. In this regard, existing techniques based on phase estimation or variational algorithms display potential disadvantages; phase estimation requires deep circuits with ancillae, that are hard to execute reliably without error correction, while variational algorithms, while flexible with respect to circuit depth, entail additional high-dimensional classical optimization. Here, we introduce the quantum imaginary time evolution and quantum Lanczos algorithms, which are analogues of classical algorithms for finding ground and excited states. Compared to their classical counterparts, they require exponentially less space and time per iteration, and can be implemented without deep circuits and ancillae, or high-dimensional optimization. We furthermore discuss quantum imaginary time evolution as a subroutine to generate Gibbs averages through an analog of minimally entangled typical thermal states. Finally, we demonstrate the potential of these algorithms via an implementation using exact classical emulation as well as through prototype circuits on the Rigetti quantum virtual machine and Aspen-1 quantum processing unit.

quant-ph

Low rank representations for quantum simulation of electronic structure

The quantum simulation of quantum chemistry is a promising application of quantum computers. However, for N molecular orbitals, the $\mathcal{O}(N^4)$ gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes simulation based on such primitives challenging. We substantially reduce the gate complexity of such primitives through a two-step low-rank factorization of the Hamiltonian and cluster operator, accompanied by truncation of small terms. Using truncations that incur errors below chemical accuracy, we are able to perform Trotter steps of the arbitrary basis electronic structure Hamiltonian with $\mathcal{O}(N^3)$ gate complexity in small simulations, which reduces to $\mathcal{O}(N^2 \log N)$ gate complexity in the asymptotic regime, while our unitary Coupled Cluster Trotter step has $\mathcal{O}(N^3)$ gate complexity as a function of increasing basis size for a given molecule. In the case of the Hamiltonian Trotter step, these circuits have $\mathcal{O}(N^2)$ depth on a linearly connected array, an improvement over the $\mathcal{O}(N^3)$ scaling assuming no truncation. As a practical example, we show that a chemically accurate Hamiltonian Trotter step for a 50 qubit molecular simulation can be carried out in the molecular orbital basis with as few as 4,000 layers of parallel nearest-neighbor two-qubit gates, consisting of fewer than 100,000 non-Clifford rotations. We also apply our algorithm to iron-sulfur clusters relevant for elucidating the mode of action of metalloenzymes.

physics.comp-ph