arXiv subjects

Richard M. Milbradt

Publications and source records attributed to Richard M. Milbradt.

11 recordsLinked to original sources

arXiv2026

Basis-update and Galerkin time integration in canonical matrix-product-state form

Matrix product state algorithms must enlarge their bond spaces as entanglement grows and compress them to control cost. We formulate basis-update and Galerkin (BUG) time integration as a sequence of canonical MPS sweeps for Hamiltonians represented as matrix product operators. We show when two natural basis updates produce the same trial space and when transporting coefficients between successive bases preserves the represented state. Under these conditions, the existing first-order error bound for uncompressed tree-tensor-network BUG also applies to the alternating-endpoint MPS schedule. We verify the uncompressed implementation against an independent six-site calculation. We then compare BUG with two-site TDVP for 16-site transverse-field Ising and Haldane-Shastry dynamics. At matched timestep and truncation settings, BUG performs fewer local exponential actions and has lower runtime. These settings do not produce equal accuracy. The runtime versus accuracy curves cross for the Ising model and are close for the Haldane-Shastry model. The comparison therefore identifies model-dependent trade-offs rather than a general advantage for either method.

quant-ph↗

arXiv2026

Tree Tensor Networks Methods for Efficient Calculation of Molecular Vibrational Spectra

We develop and employ general Tree Tensor Networks (TTNs) to compute the vibrational spectra for two model systems: a set of 64-dimensional coupled oscillators and acetonitrile. We explore various tree architectures, ranging from the simple linear structure of Matrix Product States (MPS), to trees where only the leaf nodes carry a physical leg -- as commonly seen in the underlying ansatz of the Multilayer Multiconfiguration Time-Dependent Hartree (ML-MCTDH) method -- and further to more general trees in which all nodes are allowed to possess a physical leg. In addition, we implement Locally Optimal Block Preconditioned Conjugate Gradient (LOBPCG) methods and Inverse Iteration methods as eigensolvers. Benchmarking runtime and accuracy shows that all tested topologies can reach high accuracy. For acetonitrile, inverse-iteration refinement brings all 84 computed states below 1~cm$^{-1}$ error, while the fork-4 tree, a comb-like tree with four backbone nodes, provides the best overall balance between accuracy and cost. MPS remains computationally attractive, whereas more connected trees generally improve accuracy at fixed bond dimension. All numerical simulations were performed using PyTreeNet, a Python package designed for flexible tensor network computations.

physics.chem-ph↗

arXiv2026

Time Evolution on Hybrid Tensor Networks -- A Novel and Parallelizable Algorithm

We develop a novel time-evolution algorithm for matrix product states based on the recently introduced hybrid tensor network (hTN) framework. We retain the tensors close to the boundary on the classical computer and offload the highly entangled inner ones to the quantum computer. In our variant, we employ the Basis Update and Galerkin (BUG) integrator to time-evolve the classical tensors, and we develop a coupling scheme between the classical and quantum parts. Our framework admits modular combination with any quantum time-evolution method, such as (classically pre-optimized) Trotterization. The ratio of classical and quantum tensor degrees of freedom can be dynamically adjusted during the time evolution, which can be advantageous when the classical memory requirements become prohibitive. The quantum and classical components can run in parallel during a single time step and are not constrained by synchronization barriers or mid-circuit measurements. We describe the detailed steps and pseudocode for our algorithm specialized for tensor networks originating from the matrix product state Ansatz.

quant-ph↗

arXiv2026

A Short Note on the Generators of Controlled Quantum Gates

We present the analytical generators for arbitrary multi-qubit controlled gates. Closed forms for the generating Hamiltonians are given for gates with both multiple control and target qubits, as well as for arbitrary control conditions. This allows us to go beyond gate-based simulations of quantum circuits and incorporate decoherence and other noise in simulations of quantum computers. We exemplify this by simulating the impact of a harmonic oscillator interacting with two qubits during the application of a controlled NOT gate.

quant-ph↗

arXiv2026

Efficient Application of Tensor Network Operators to Tensor Network States

The performance of tensor network methods has seen constant improvements over the last few years. We add to this effort by introducing a new algorithm that efficiently applies tree tensor network operators to tree tensor network states inspired by the density matrix method and the Cholesky decomposition. This application procedure is a common subroutine in tensor network methods. We explicitly include the special case of tensor train structures and demonstrate how to extend methods commonly used in this context to general tree structures. We compare our newly developed method with the existing ones in a benchmark scenario with random tensor network states and operators. We find our Cholesky-based compression (CBC) performs equivalently to the current state-of-the-art method, while outperforming most established methods by at least an order of magnitude in runtime. We then apply our knowledge to perform circuit simulation of tree-like circuits, in order to test our method in a more realistic scenario. Here, we find that more complex tree structures can outperform simple linear structures and achieve lower errors than those possible with the simple structures. Additionally, our CBC still performs among the most successful methods, showing less dependence on the different bond dimensions of the operator.

quant-ph↗

arXiv2025

Quantum circuit simulation with a local time-dependent variational principle

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 a 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.

quant-ph↗

arXiv2025

Large-scale stochastic simulation of open quantum systems

Understanding the precise interaction mechanisms between quantum systems and their environment is crucial for advancing stable quantum technologies, designing reliable experimental frameworks, and building accurate models of real-world phenomena. However, simulating open quantum systems, which feature complex non-unitary dynamics, poses significant computational challenges that require innovative methods to overcome. In this work, we introduce the tensor jump method (TJM), a scalable, embarrassingly parallel algorithm for stochastically simulating large-scale open quantum systems, specifically Markovian dynamics captured by Lindbladians. This method is built on three core principles where, in particular, we extend the Monte Carlo wave function (MCWF) method to matrix product states, use a dynamic time-dependent variational principle (TDVP) to significantly reduce errors during time evolution, and introduce what we call a sampling MPS to drastically reduce the dependence on the simulation's time step size. We demonstrate that this method scales more effectively than previous methods and ensures convergence to the Lindbladian solution independent of system size, which we show both rigorously and numerically. Finally, we provide evidence of its utility by simulating Lindbladian dynamics of XXX Heisenberg models up to a thousand spins using a consumer-grade CPU. This work represents a significant step forward in the simulation of large-scale open quantum systems, with the potential to enable discoveries across various domains of quantum physics, particularly those where the environment plays a fundamental role, and to both dequantize and facilitate the development of more stable quantum hardware.

quant-ph↗

arXiv2025

Optimal Symbolic Construction of Matrix Product Operators and Tree Tensor Network Operators

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 "sum of operator strings" form that can be translated into a tensor network structure. Combining the existing bipartite-graph-based approach and a newly introduced symbolic Gaussian elimination preprocessing step, our proposed method improves upon earlier algorithms in cases when Hamiltonian terms share the same prefactors. We test the performance of our method against established ones for benchmarking purposes. Finally, we apply our methodology to the model of a cavity filled with molecules in a solvent. This open quantum system is cast into the hierarchical equation of motion (HEOM) setting to obtain an effective Hamiltonian. Construction of the corresponding TTNO demonstrates a sub-linear increase of the maximum bond dimension.

quant-ph↗

arXiv2024

PyTreeNet: A Python Library for easy Utilisation of Tree Tensor Networks

In recent years, tree tensor network methods have proven capable of simulating quantum many-body and other high-dimensional systems. This work is a user guide to our Python library PyTreeNet. It includes code examples and exercises to introduce the library's functions and familiarise the reader with the concepts and methods surrounding tree tensor networks. PyTreeNet implements all the tools required to implement general tree tensor network methods, such as tensor decompositions and arbitrary tree structures. The main focus is on the time evolution of quantum systems. This includes an introduction to tree tensor network states and operators and the time-evolving block decimation and time-dependent variational principle. The library's capabilities are showcased with the example of a modified transverse field Ising model on tree structures that go far beyond the ability of common state vector methods.

quant-ph↗

arXiv2024

State Diagrams to determine Tree Tensor Network Operators

This work is concerned with tree tensor network operators (TTNOs) for representing quantum Hamiltonians. We first establish a mathematical framework connecting tree topologies with state diagrams. Based on these, we devise an algorithm for constructing a TTNO given a Hamiltonian. The algorithm exploits the tensor product structure of the Hamiltonian to add paths to a state diagram, while combining local operators if possible. We test the capabilities of our algorithm on random Hamiltonians for a given tree structure. Additionally, we construct explicit TTNOs for nearest neighbour interactions on a tree topology. Furthermore, we derive a bound on the bond dimension of tensor operators representing arbitrary interactions on trees. Finally, we consider an open quantum system in the form of a Heisenberg spin chain coupled to bosonic bath sites as a concrete example. We find that tree structures allow for lower bond dimensions of the Hamiltonian tensor network representation compared to a matrix product operator structure. This reduction is large enough to reduce the number of total tensor elements required as soon as the number of baths per spin reaches $3$.

quant-ph↗

arXiv2023

Correlations in Disordered Solvable Tensor Network States

Solvable matrix product and projected entangled pair states evolved by dual and ternary-unitary quantum circuits have analytically accessible correlation functions. Here, we investigate the influence of disorder. Specifically, we compute the average behavior of a physically motivated two-point equal-time correlation function with respect to random disordered solvable tensor network states arising from the Haar measure on the unitary group. By employing the Weingarten calculus, we provide an exact analytical expression for the average of the $k$th moment of the correlation function. The complexity of the expression scales with $k!$ and is independent of the complexity of the underlying tensor network state. Our result implies that the correlation function vanishes on average, while its covariance is nonzero.

quant-ph↗