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 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 propose a tensor-network Monte Carlo (TNMC) approach for unitary evolution following the compression sequence of the time-evolving block decimation (TEBD) algorithm. In the TNMC approach, the obtained results contain evaluable statistical errors rather than truncation errors, unlike ordinary singular-value-decomposition-based methods such as the TEBD algorithm. Consequently, one can estimate unbiased expectation values within statistical errors even with a finite bond dimension. Since the sampling scheme is introduced in the simulations of unitary evolution, the proposed Monte Carlo scheme may suffer from a sign problem. We observe that the sign problem can be mitigated by increasing the bond dimension. We apply the proposed TNMC approach to the Hamiltonian and the Floquet dynamics. Numerical experiments show that the TNMC approach can estimate accurate expectation values of observables even when the TEBD method with the same bond dimension cannot. The proposed approach can be a new direction for improving the classical simulatability of unitary evolution.
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 adapt the time-evolving block decimation (TEBD) algorithm, originally devised to simulate the dynamics of one-dimensional quantum systems, to simulate the time evolution of nonequilibrium stochastic systems. We describe this method in detail; a system's probability distribution is represented by a matrix product state (MPS) of finite dimension and then its time evolution is efficiently simulated by repeatedly updating and approximately refactorizing this representation. We examine the use of MPS as an approximation method, looking at parallels between the interpretations of applying it to quantum state vectors and probability distributions. In the context of stochastic systems we consider two types of factorization for use in the TEBD algorithm: non-negative matrix factorization (NMF), which ensures that the approximate probability distribution is manifestly non-negative, and the singular value decomposition (SVD). Comparing these factorizations, we find the accuracy of the SVD to be substantially greater than current NMF algorithms. We then apply TEBD to simulate the totally asymmetric simple exclusion process (TASEP) for systems of up to hundreds of lattice sites in size. Using exact analytic results for the TASEP steady state, we find that TEBD reproduces this state such that the error in calculating expectation values can be made negligible even when severely compressing the description of the system by restricting the dimension of the MPS to be very small. Out of the steady state we show for specific observables that expectation values converge as the dimension of the MPS is increased to a moderate size.
Abstract Classical simulations of quantum circuits are vital for assessing potential quantum advantage and benchmarking devices, yet they require sophisticated methods to avoid the exponential growth of resources. Tensor network approaches, in particular matrix product states (MPS) combined with the time-evolving block decimation (TEBD) algorithm, currently dominate large-scale circuit simulations. These methods scale efficiently when entanglement is limited but suffer rapid bond dimension growth with increasing entanglement and handle long-range gates via costly SWAP insertions. Motivated by the success of the time-dependent variational principle (TDVP) in many-body physics, we reinterpret quantum circuits as series of discrete time evolutions, using gate generators to construct an MPS-based circuit simulation via a local TDVP formulation. This addresses TEBD's key limitations by (1) naturally accommodating long-range gates and (2) optimally representing states on the MPS manifold. By diffusing entanglement more globally, the method suppresses local bond growth and reduces memory and runtime costs. We benchmark the approach on five 49-qubit circuits: three Hamiltonian circuits (1D open and periodic Heisenberg, 2D 7x7 Ising) and two algorithmic ones (quantum approximate optimization, hardware-efficient ansatz). Across all cases, our method yields substantial resource reductions over standard tools, establishing a new state-of-the-art for circuit simulation and enabling advances across quantum computing, condensed matter, and beyond.
Tensor network methods, most prominently matrix product states (MPS), have become fundamental tools in modern quantum many-body physics. While MPS and extensions like the multiscale entanglement renormalization ansatz (MERA) and tree tensor networks (TTN) efficiently capture area-law entanglement and its logarithmic violations, they inherently struggle to represent highly entangled wavefunctions. Specifically, reaching the volume-law regime typically demands exponential resources within these conventional frameworks. Motivated by this challenge, we propose holographic isometric tensor network states (holographic isoTNS) that simulate quantum lattice models in D spatial dimensions via (D+1)-dimensional networks of tensors. The additional dimension substantially enlarges the representational manifold, while isometric constraints on each tensor ensure efficient contractibility. Using one-dimensional systems as testbeds, we analyze the properties of holographic isoTNS. First, we show that randomly initialized holographic isoTNS typically display volume-law entanglement at fixed bond dimension. Second, through analytic constructions and variational optimization, we demonstrate that holographic isoTNS can faithfully describe a broad class of highly entangled yet low-complexity states. In particular, the ansatz can represent arbitrary fermionic Gaussian states, Clifford states, extensions of rainbow states, and certain short-time-evolved states under local evolution. Third, to exploit this expressivity in broader contexts, we implement a time-evolving block decimation (TEBD) algorithm on holographic isoTNS. While the method remains efficient and scalable, error accumulation over TEBD sweeps suggests the need for further algorithmic improvement. Overall, holographic isoTNS broaden the scope of tensor-network methods, opening new avenues to study physics in the volume-law regime.
[eng] Quantum many-body dynamics is a vast field of physics at the intersection of statistical mechanics, condensed matter, quantum information, and computational physics. Understanding the time evolution of observable correlations—such as those involved in material responses—is both a milestone for technological advancement and a corner-stone for generating fundamental knowledge. At the intersection of emergent collective behavior in many-body systems, quantum physics, and information theory lies the classical simulation of out-of-equilibrium phenomena. Without numerical tools, progress in disciplines that require heavy computations with high-dimensional vectors and matrices would be limited to purely analytical predictions and constrained by the available expertise and resources needed to build benchmarking experiments. The goal of this thesis is to advance the classical simulation of quantum many-body systems using Tensor Networks. This technique has proven fruitful for predicting equilibrium ground states and thermal properties of one-dimensional systems, yet it still faces challenges when applied to out-of-equilibrium scenarios. In brief, the dynamics of experimentally accessible expectation values can be represented as a 2D Tensor Network, which must be contracted using iterative methods such as Time-Evolving Block Decimation. However, the memory and computational time required for these calculations—which reflect the methods’ complexity—are known to grow exponentially with the simulated physical time in generic systems. This limitation is often referred to in the literature as the entanglement barrier. This manuscript tackles the problem through the three inequivalent ways in which the 2D Tensor Network can be contracted. In Chapter 3, we study how Schrödinger-picture contraction from the state edge of the network can be modified to improve the convergence of iterative contraction and reduce truncation errors in small systems. To this end, we explore physical decoherence in optimized bases and artificial generalized decoherence, finding that both alternatives show promise for new protocols that overcome the entanglement barrier. In Chapter 4, we explore Heisenberg-picture contraction from the observable edge, combining the concept of generalized decoherence with Pauli Weight truncation. By thoroughly characterizing the Pauli weight requirements to accurately describe the time evolution of local expectation values from initial product states, we conclude that truncating off-diagonal Pauli Weights is an effective scheme for simulating long-time dynamics—and we successfully implement it. We conclude with a spatial characterization of Pauli Weight spreading, bridging Tensor Network simulations and the field of operator hydrodynamics. Finally, in Chapter 5, we focus on the transverse contraction of the 2D Tensor Net-work using the light-cone algorithm, analyzing its variants in terms of truncation strategies and convergence across different models. This leads to a systematic characterization of the method based on the integrability of the underlying Hamiltonians and single-spin noise models.