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We propose a class of randomized quantum Krylov diagonalization (rQKD) algorithms capable of solving the eigenstate estimation problem with modest quantum resource requirements. Compared to previous real-time evolution quantum Krylov…
This paper introduces matrix product state (MPS) decomposition as a new and systematic method to compress multidimensional data represented by higher-order tensors. It solves two major bottlenecks in tensor compression: computation and…
Block Krylov subspace methods (KSMs) comprise building blocks in many state-of-the-art solvers for large-scale matrix equations as they arise, e.g., from the discretization of partial differential equations. While extended and rational…
Encoding classical data in a quantum state is a key prerequisite of many quantum algorithms. Recently matrix product state (MPS) methods emerged as the most promising approach for constructing shallow quantum circuits approximating input…
We study structure-preserving Krylov subspace methods for approximating the matrix-vector products f(H)b, where H is a large Hamiltonian matrix and f denotes either the matrix exponential or the related phi-function. Such computations are…
Ultrafast dynamics in chemical systems provide a unique access to fundamental processes at the molecular scale. A proper description of such systems is often very challenging because of the quantum nature of the problem. The concept of…
Various Hamiltonian simulation algorithms have been proposed to efficiently study the dynamics of quantum systems on a quantum computer. The existing algorithms generally approximate the time evolution operators, which may need a deep…
Quantum computing is arguably one of the most revolutionary and disruptive technologies of this century. Due to the ever-increasing number of potential applications as well as the continuing rise in complexity, the development, simulation,…
We have developed an application and implemented parallel algorithms in order to provide a computational framework suitable for massively parallel supercomputers to study the unitary dynamics of quantum systems. We use renowned parallel…
We consider Arnoldi like processes to obtain symplectic subspaces for Hamiltonian systems. Large systems are locally approximated by ones living in low dimensional subspaces; we especially consider Krylov subspaces and some extensions. This…
The quantum dynamics of a complex system can be efficiently described in Krylov space, the minimal subspace in which the dynamics unfolds. We apply the Krylov subspace method for Hamiltonian deformations, which provides a systematic way of…
We present an algorithm that uses block encoding on a quantum computer to exactly construct a Krylov space, which can be used as the basis for the Lanczos method to estimate extremal eigenvalues of Hamiltonians. While the classical Lanczos…
This research introduces an improved framework for constructing matrix product operators (MPOs) and tree tensor network operators (TTNOs), crucial tools in quantum simulations. A given (Hamiltonian) operator typically has a known symbolic…
The dynamics of one-dimensional quantum many-body systems is often numerically simulated with matrix-product states (MPSs). The computational complexity of MPS methods is known to be related to the growth of entropies of reduced density…
We investigate the efficient combination of the canonical polyadic decomposition (CPD) and tensor hyper-contraction (THC) approaches. We first present a novel low-cost CPD solver which leverages a precomputed THC factorization of an…
Krylov subspace methods are an essential building block in numerical simulation software. The efficient utilization of modern hardware is a challenging problem in the development of these methods. In this work, we develop Krylov subspace…
We introduce a high-performance linear-scaling electronic structure method that employs chromatic superposition states (CSS) as a low-dimensional, high-fidelity representation, which can be orders of magnitude smaller than the full Hilbert…
We present a technique for optimizing hundreds of thousands of variational parameters in variational quantum Monte Carlo. By introducing iterative Krylov subspace solvers and by multiplying by the Hamiltonian and overlap matrices as they…
Tensor networks like matrix product states (MPSs) and matrix product operators (MPOs) are powerful tools for representing exponentially large states and operators, with applications in quantum many-body physics, machine learning, numerical…
This paper introduces matrix product state (MPS) decomposition as a computational tool for extracting features of multidimensional data represented by higher-order tensors. Regardless of tensor order, MPS extracts its relevant features to…