We propose an environment recycling scheme to speed up a class of tensor network algorithms that produce an approximation to the ground state of a local Hamiltonian by simulating an evolution in imaginary time. Specifically, we consider the time-evolving block decimation (TEBD) algorithm applied to infinite systems in 1D and 2D, where the ground state is encoded, respectively, in a matrix product state (MPS) and in a projected entangled-pair state (PEPS). An important ingredient of the TEBD algorithm (and a main computational bottleneck, especially with PEPS in 2D) is the computation of the so-called environment, which is used to determine how to optimally truncate the bond indices of the tensor network so that their dimension is kept constant. In current algorithms, the environment is computed at each step of the imaginary time evolution, to account for the changes that the time evolution introduces in the many-body state represented by the tensor network. Our key insight is that close to convergence, most of the changes in the environment are due to a change in the choice of gauge in the bond indices of the tensor network, and not in the many-body state. Indeed, a consistent choice of gauge in the bond indices confirms that the environment is essentially the same over many time steps and can thus be re-used, leading to very substantial computational savings. We demonstrate the resulting approach in 1D and 2D by computing the ground state of the quantum Ising model in a transverse magnetic field.
We propose an environment recycling scheme to speed up a class of tensor network algorithms that produce an approximation to the ground state of a local Hamiltonian by simulating an evolution in imaginary time. Specifically, we consider the time-evolving block decimation (TEBD) algorithm applied to infinite systems in 1D and 2D, where the ground state is encoded, respectively, in a matrix product state (MPS) and in a projected entangled-pair state (PEPS). An important ingredient of the TEBD algorithm (and a main computational bottleneck, especially with PEPS in 2D) is the computation of the so-called environment, which is used to determine how to optimally truncate the bond indices of the tensor network so that their dimension is kept constant. In current algorithms, the environment is computed at each step of the imaginary time evolution, to account for the changes that the time evolution introduces in the many-body state represented by the tensor network. Our key insight is that close to convergence, most of the changes in the environment are due to a change in the choice of gauge in the bond indices of the tensor network, and not in the many-body state. Indeed, a consistent choice of gauge in the bond indices confirms that the environment is essentially the same over many time steps and can thus be re-used, leading to very substantial computational savings. We demonstrate the resulting approach in 1D and 2D by computing the ground state of the quantum Ising model in a transverse magnetic field.
The study of interacting quantum many-body systems is one of the central challenges in modern physics. Interestingly, by understanding the physical properties of such systems from a microscopic description, one can explain many complex quantum phenomena such as the high-temperature superconductivity, fractional quantum Hall effect, etc. However, due to high complexity of these systems, theoretical investigations such as analytical and perturbation theories are limited to studying only a small subset of problems. In the past few decades, numerical simulation has emerged as an indispensable method for studying many phenomena, and has led to immense success and progress in recent years. The main obstacle in addressing quantum many-body systems is that the number of parameters required to represent a state of the system scales exponentially with the system size. However, one hardly needs the full Hilbert space but only a small subspace to describe physical properties of the system. From the point of view in quantum information theory, quantum entanglement is one of the main factors that is responsible for the complexity of studying quantum many-body systems. In particular, the amount of quantum entanglement in such system quantifies the correlation between constituents and therefore it determines how big the subspace is required to represent the system. In this thesis, we are interested in using tensor network states, a new emerging numerical technique to study dynamical and ground state properties of the system. The key ingredient is that a tensor network state which consists of a fairly small number of parameters can represent very well the complete wave function of a system. In one spatial dimension, Matrix Product State (MPS) has become a standard tool, combined with related algorithms such as Time Evolving Block Decimation algorithm (TEBD) to study dynamical properties of a locally-perturbed quantum lattice system. In this thesis, we introduce a technique called ``infinite boundary conditions'' that allows us to use a finite-size MPS to represent the state of an infinite-size system. As a result, one can simulate dynamics of a system for a longer time with a significant computational cost reduction compared to traditional methods. In two spatial dimensions, the tensor network known as Projected Entangled Pair States (PEPS) is emerging as a useful approach. However algorithms for optimizing the matrix elements of these tensors are complex and not very efficient. In particular, the efficiency of the optimization depends critically on the quality of the so-called ``environment'', which is expensive to compute. We have introduced a new method to accelerate the convergence of calculating the PEPS ground state by recycling the environment tensors for many optimization steps, vastly reducing the number of times that the full environment needs to be calculated.
Simulation of quantum systems is challenging due to the exponential size of the state space. Tensor networks provide a systematically improvable approximation for quantum states. 2D tensor networks such as Projected Entangled Pair States (PEPS) are well-suited for key classes of physical systems and quantum circuits. However, direct contraction of PEPS networks has exponential cost, while approximate algorithms require computations with large tensors. We propose new scalable algorithms and software abstractions for PEPS-based methods, accelerating the bottleneck operation of contraction and refactorization of a tensor subnetwork. We employ randomized SVD with an implicit matrix to reduce cost and memory footprint asymptotically. Further, we develop a distributed-memory PEPS library and study accuracy and efficiency of alternative algorithms for PEPS contraction and evolution on the Stampede2 supercomputer. We also simulate a popular near-term quantum algorithm, the Variational Quantum Eigensolver (VQE), and benchmark Imaginary Time Evolution (ITE), which compute ground states of Hamiltonians.
In this work, we consider the imaginary time evolution of matrix product states. We present a quantum-inspired classical method that, when combined with time evolving block decimation (TEBD), is able to potentially speed up the convergence to a ground state compared to TEBD alone. Our method, referred to as boosted imaginary time evolution, relies on the use of reflections to boost to lower energy states. Interleaving TEBD steps with boosts reduces the total number of TEBD steps and potentially the computational cost required to imaginary time evolve a matrix product state to a ground state. We give the mathematical details of the method followed by an algorithmic implementation and finally some results for a simple test case. Published by the American Physical Society 2024
The infinite time-evolving block decimation algorithm [G. Vidal, Phys. Rev. Lett. 98, 070201 (2007)] allows to simulate unitary evolution and to compute the ground state of one-dimensional (1D) quantum lattice systems in the thermodynamic limit. Here we extend the algorithm to tackle a much broader class of problems, namely, the simulation of arbitrary one-dimensional evolution operators that can be expressed as a (translationally invariant) tensor network. Relatedly, we also address the problem of finding the dominant eigenvalue and eigenvector of a one-dimensional transfer matrix that can be expressed in the same way. New applications include the simulation, in the thermodynamic limit, of open (i.e., master equation) dynamics and thermal states in 1D quantum systems, as well as calculations with partition functions in two-dimensional (2D) classical systems, on which we elaborate. The present extension of the algorithm also plays a prominent role in the infinite projected entangled-pair states approach to infinite 2D quantum lattice systems.
We introduce a simple yet significant improvement to the time-evolving block decimation (TEBD) tensor network algorithm for simulating the time dynamics of strongly correlated one-dimensional (1D) mixed quantum states. The efficiency of 1D tensor network methods stems from using a product of matrices to express either: the coefficients of a wavefunction, yielding a matrix product state (MPS); or the expectation values of a density matrix, yielding a matrix product density operator (MPDO). To avoid exponential computational costs, TEBD truncates the matrix dimension while simulating the time evolution. However, when truncating an MPDO, TEBD does not favor the likely more important low-weight expectation values, such as \langle c_i^\dagger c_j \rangle ⟨ c i † c j ⟩ , over the exponentially many high-weight expectation values, such as \langle c_{i_1}^\dagger c^\dagger_{i_2} \cdots c_{i_n} \rangle ⟨ c i 1 † c i 2 † ⋯ c i n ⟩ of weight n n , despite the critical importance of the low-weight expectation values. Motivated by this shortcoming, we propose a reweighted TEBD (rTEBD) algorithm that deprioritizes high-weight expectation values by a factor of \gamma^{-n} γ − n during the truncation. This modification makes rTEBD significantly more accurate than the TEBD time-dependent simulation of an MPDO, and competitive with and sometimes better than TEBD using MPS. Furthermore, by prioritizing low-weight expectation values, rTEBD preserves conserved quantities to high precision.
We use matrix product techniques to investigate the performance of two algorithms for obtaining the ground state of a quantum many-body Hamiltonian H=HA+HB in infinite systems. The first algorithm is a generalization of the quantum approximate optimization algorithm and uses a quantum computer to evolve an initial product state into an approximation of the ground state of H by alternating between HA and HB. We show for the one-dimensional (1D) quantum Ising model that the accuracy in representing a gapped ground state improves exponentially with the number of alternations. The second algorithm is the variational imaginary time ansatz, which uses a classical computer to simulate the ground state via alternating imaginary time steps with HA and HB. We find for the 1D quantum Ising model that an accurate approximation to the ground state is obtained with a total imaginary time $\ensuremath{\tau}$ that grows only logarithmically with the inverse energy gap $1/\mathrm{\ensuremath{\Delta}}$ of H. This is much faster than imaginary time evolution by H, which would require $\ensuremath{\tau}\ensuremath{\sim}1/\mathrm{\ensuremath{\Delta}}$.