Tensor network theory and quantum simulation are, respectively, the key classical and quantum computing methods in understanding quantum many-body physics. Here, we introduce the framework of hybrid tensor networks with building blocks consisting of measurable quantum states and classically contractable tensors, inheriting both their distinct features in efficient representation of many-body wave functions. With the example of hybrid tree tensor networks, we demonstrate efficient quantum simulation using a quantum computer whose size is significantly smaller than the one of the target system. We numerically benchmark our method for finding the ground state of 1D and 2D spin systems of up to 8×8 and 9×8 qubits with operations only acting on 8+1 and 9+1 qubits, respectively. Our approach sheds light on simulation of large practical problems with intermediate-scale quantum computers, with potential applications in chemistry, quantum many-body physics, quantum field theory, and quantum gravity thought experiments.
Tensor network theory and quantum simulation are, respectively, the key classical and quantum computing methods in understanding quantum many-body physics. Here, we introduce the framework of hybrid tensor networks with building blocks consisting of measurable quantum states and classically contractable tensors, inheriting both their distinct features in efficient representation of many-body wave functions. With the example of hybrid tree tensor networks, we demonstrate efficient quantum simulation using a quantum computer whose size is significantly smaller than the one of the target system. We numerically benchmark our method for finding the ground state of 1D and 2D spin systems of up to 8×8 and 9×8 qubits with operations only acting on 8+1 and 9+1 qubits, respectively. Our approach sheds light on simulation of large practical problems with intermediate-scale quantum computers, with potential applications in chemistry, quantum many-body physics, quantum field theory, and quantum gravity thought experiments.
Hybrid tensor networks (hTNs) offer a promising solution for encoding variational quantum states beyond the capabilities of efficient classical methods or noisy quantum computers alone. However, their practical usefulness and many operational aspects of hTN-based algorithms, like the optimization of hTNs, the generalization of standard contraction rules to an hybrid setting, and the design of application-oriented architectures have not been thoroughly investigated yet. In this work, we introduce a novel algorithm to perform ground-state optimizations with hybrid tree tensor networks (hTTNs), discussing its advantages and roadblocks, and identifying a set of promising applications. We benchmark our approach on two paradigmatic models, namely the Ising model at the critical point and the Toric-code Hamiltonian. In both cases, we successfully demonstrate that hTTNs can improve upon classical equivalents with equal bond dimension in the classical part.
This book serves as an introductory yet thorough guide to tensor networks and their applications in quantum computation and quantum information, designed for advanced undergraduate and graduate-level readers. In Part I, foundational topics are covered, including tensor structures and network representations like Matrix Product States (MPS) and Tree Tensor Networks (TTN). These preliminaries provide readers with the core mathematical tools and concepts necessary for quantum physics and quantum computing applications, bridging the gap between multi-linear algebra and complex quantum systems. Part II explores practical applications of tensor networks in simulating quantum dynamics, with a particular focus on the efficiency they offer for systems of high computational complexity. Key topics include Hamiltonian dynamics, quantum annealing, open system dynamics, and optimization strategies using TN frameworks. A final chapter addresses the emerging role of “quantum magic” in tensor networks. It delves into non-stabilizer states and their contribution to quantum computational power beyond classical simulability, featuring methods such as stabilizer-enhanced MPS and the Clifford-dressed TDVP. In presenting tensor networks as tools for understanding quantum complexity, this book aims to foster a deeper collaboration between the many-body physics and quantum computing communities, inviting a broader audience to engage with these recent developments.
This paper explores the application of tensor network methods for simulating molecular dynamics on quantum computers. Traditional molecular dynamics simulations are computationally expensive, particularly for complex systems exhibiting strong quantum correlations. Tensor networks provide a powerful framework for representing and manipulating high-dimensional quantum states, potentially offering a pathway to efficiently simulate molecular dynamics by directly leveraging quantum computational resources. This work details the theoretical framework, outlining how tensor network techniques, specifically Matrix Product States (MPS) and Tree Tensor Networks (TTN), can be adapted for this purpose. We present a simplified model of a diatomic molecule to illustrate the core concept: the construction of a tensor network representation of the molecular wavefunction, followed by the application of time evolution operators to simulate dynamics. The focus is on demonstrating the potential of this approach rather than a fully optimized simulation, highlighting key challenges and future research directions. The efficiency gains compared to classical methods are discussed, acknowledging the significant technological hurdles involved in realizing this approach on near-term quantum devices. We investigate the scalability of the method, considering the limitations imposed by the bond dimension of the tensor network. The ultimate goal is to demonstrate how tensor networks can provide a viable strategy for tackling computationally intractable molecular dynamics problems, paving the way for a new era of quantum-enhanced molecular simulations.
Abstract Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is employed to obtain the ground state with higher accuracy than QMC alone. We propose an algorithm combining QC-QMC with a hybrid tensor network to extend the applicability of QC-QMC beyond a single quantum device size. In a two-layer quantum-quantum tree tensor, our algorithm for the larger trial wave function can be executed than preparable wave function in a device. Our algorithm is evaluated on the Heisenberg chain model, graphite-based Hubbard model, hydrogen plane model, and MonoArylBiImidazole using full configuration interaction QMC. Our algorithm can achieve energy accuracy (specifically, variance) several orders of magnitude higher than QMC, and the hybrid tensor version of QMC gives the same energy accuracy as QC-QMC when the system is appropriately decomposed. Moreover, we develop a pseudo-Hadamard test technique that enables efficient overlap calculations between a trial wave function and an orthonormal basis state. In a real device experiment by using the technique, we obtained almost the same accuracy as the statevector simulator, indicating the noise robustness of our algorithm. These results suggests that the present approach will pave the way to electronic structure calculation for large systems with high accuracy on current quantum devices.
This paper explores the potential of tensor networks for enabling distributed quantum simulation, a crucial step towards scaling up quantum computations. Traditional quantum simulation faces limitations due to the exponential growth of state vector sizes required for complex systems. Distributed quantum simulation aims to overcome this by partitioning the simulation across multiple quantum processors. However, efficient representation and manipulation of the resulting distributed quantum state remain a significant challenge. This work proposes utilizing tensor networks as a framework for representing and processing these distributed quantum states. Tensor networks offer an inherent structure that facilitates efficient parallel computation and minimizes communication overhead between quantum processors. We outline a theoretical framework, detailing the application of tensor network contractions and disentanglement techniques specifically tailored for distributed quantum simulation scenarios. The core claim of this work is that scaling up quantum simulations requires efficient methods for representing and manipulating quantum states, and tensor networks provide a promising avenue for achieving this goal. We present a method to reduce the computational complexity associated with simulating large quantum systems by leveraging the properties of tensor networks. The approach allows for a more scalable simulation strategy, moving beyond the limitations of traditional state vector representations. Further research will explore specific tensor network architectures and optimization strategies for different simulation problems.
Computational methods are central to modern physics, yet many problems, especially those involving Quantum Many-Body Systems (QMBSs), remain challenging at scale. The core difficulty of simulating QMBSs is the exponential growth of the solution space with system size. This renders exact treatments intractable and pushes approximate methods to their limits when tackling two- and higher-dimensional systems and long-time dynamics. Quantum computers offer a quantum-native platform for representing and manipulating such systems. Recent algorithmic and technological advancements have enabled experiments on quantum processors in the quantum utility regime, a scale at which exact classical reproduction is no longer feasible. This represents the first step towards realizing quantum advantage, where quantum computers solve specific, practically relevant problems more efficiently than any classical approach. While advancing towards the goal of quantum advantage, useful computations on quantum processors are expected to be realised through hybrid quantum-classical algorithms, which combine quantum experiments and classical computational resources. A prominent example are variational quantum algorithms, where a Parametrized Quantum Circuit (PQC) prepares a trial quantum state whose parameters are iteratively updated by a classical optimisation routine to minimize a target cost function (e.g., the energy of a target Hamiltonian). However, the optimisation of such PQCs is affected by trainability issues, such as barren plateaus in the parameter landscape, which can render the optimisation increasingly difficult for larger system sizes. This motivates the development of novel hybrid approaches overcoming the limits of PQCs. In this thesis, we introduce a new class of approaches based on hybrid Tensor Networks (TNs). A hybrid TN is obtained by integrating quantum states prepared on a quantum processor within TNs -- one of the state-of-the-art approaches for simulating quantum systems. We first show how hybrid TNs can be used for ground-state searches within a variational setting. Then, we further extend the framework to non-variational hybrid TN ansätze for which the quantum tensors are prepared via quantum annealing and subsequently post-processed by classical TNs. In the context of quantum machine learning, which also relies on PQCs, we further investigate heuristic best practices that mitigate the same exponential concentration effects in kernel-based models for anomaly detection. Another class of hybrid algorithms are quantum error-mitigation workflows, where classical post-processing is used to reconstruct expectation values from noise-affected circuit executions. Such methods generally feature a trade-off between the bias and the variance: the price to pay for mitigating noise in a bias-free fashion is that the number of measurements usually grows exponentially with the depth of the circuit in order to achieve a fixed accuracy. In this thesis, we develop a low-resource error-mitigation strategy that reduces the measurement overhead in practical digital Hamiltonian-simulation workflows. We apply this method to Trotterized dynamics in a lattice-gauge-theory model, enabling the extraction of expectation values with improved accuracy at time-scales that allow the observation of post-collision scattering dynamics.