arXiv subjects

Johnnie Gray

Publications and source records attributed to Johnnie Gray.

At least 19 recordsLinked to original sources

arXiv2026

Vectorized Symmetric and Fermionic Tensor Network Implementations for GPU-Accelerated Variational Monte Carlo

Variational Monte Carlo (VMC) calculations based on tensor networks (TN) have recently achieved competitive accuracy in ground-state calculations of strongly correlated spin and fermionic systems. However, existing tensor network VMC (TN-VMC) algorithms have not been formulated in a manner that can fully utilize GPU acceleration. We tackle the key missing ingredient, namely, the vectorized evaluation of tensor network amplitudes and tensor network operations. This ensures high GPU utilization by batching over computations with identical structure. In particular, we show how to achieve vectorization for the practically relevant case of abelian symmetric tensor networks (which includes fermionic tensor networks) by developing a ``flat'' tensor network formalism for block-sparse tensor representation and contraction. Using this, we construct a GPU-adapted symmetric TN-VMC workflow with batched tensor network computation. In the two-dimensional Fermi--Hubbard model, we demonstrate a GPU speedup of up to $300 \times$ over single core CPU implementations, for fermionic TN variational wavefunctions.

physics.comp-ph↗

arXiv2026

Statistical mechanics in continuous space with tensor network methods

Tensor network (TN) methods are well established for computing partition functions in statistical mechanics, though this use has traditionally been limited to lattice models. We extend the scope of TN methodology to interacting particle systems in continuous space. Through a real-space discretization combined with a cell-based coarse-graining scheme, we formulate an effective lattice model that explicitly preserves spatial locality. The partition function of this model is represented as a TN, and the thermodynamic quantities are computed via boundary contraction. We apply this framework to the two-dimensional hard-disk problem and demonstrate the strengths of the TN formulation compared to existing Monte Carlo simulations.

cond-mat.stat-mech↗

arXiv2026

Digital quantum magnetism on a trapped-ion quantum computer

Digital quantum matter -- realized when discrete quantum gates approximate continuous time evolution -- is susceptible to heating into chaotic, structureless states. If digitization errors are adequately suppressed, a long-lived transient regime of approximately energy-conserving dynamics can be observed on gate-based quantum computers. Conservation of energy, in turn, enables the exploration of a wide variety of complex behaviors observed in equilibrium systems, ranging from the nontrivial microscopic origins of thermalization itself to the stabilization of effective models hosting exotic emergent properties. Here, we use Quantinuum's system model H2 quantum computer to simulate digitized dynamics of the quantum Ising model, suppressing digitization errors well enough to observe thermalization on timescales that severely challenge classical simulation methods. Relaxation of an inhomogeneous state reveals an emergent hydrodynamics due to approximate energy conservation, and we compute the associated diffusion constant. By reprogramming our simulations to take place on a triangular lattice with periodic boundary conditions, we observe thermalization consistent with emergent gauge and topological constraints resulting from lattice frustration. Our results were enabled by continued advances in two-qubit gate quality (native partial entangler fidelities of $99.94(1)\%$), and establish digital quantum computers as powerful tools for studying (effectively) continuous-time dynamics.

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↗

arXiv2026

Rapid quantum ground state preparation via dissipative dynamics

Inspired by natural cooling processes, dissipation has become a promising approach for preparing low-energy states of quantum systems. However, the potential of dissipative protocols remains unclear beyond certain commuting Hamiltonians. This work provides significant analytical and numerical insights into the power of dissipation for preparing the ground state of noncommuting Hamiltonians. For quasi-free dissipative dynamics, including certain 1D spin systems with boundary dissipation, our results reveal a new connection between the mixing time in trace distance and the spectral properties of a non-Hermitian Hamiltonian, leading to an explicit and sharp bound on the mixing time that scales polynomially with system size. For more general spin systems, we develop a tensor network-based algorithm for constructing the Lindblad jump operator and for simulating the dynamics. Using this algorithm, we demonstrate numerically that dissipative ground state preparation protocols can achieve rapid mixing for certain 1D local Hamiltonians under bulk dissipation, with a mixing time that scales logarithmically with the system size. We then prove the rapid mixing result for certain weakly interacting spin and fermionic systems in arbitrary dimensions, extending recent results for high-temperature quantum Gibbs samplers to the zero-temperature regime. Together, these results show that dissipation can be a powerful tool for ground state preparation, with potential applications across condensed matter physics, quantum materials science, and beyond.

quant-ph↗

arXiv2025

Partitioned Expansions for Approximate Tensor Network Contractions

We propose a method for approximating the contraction of a tensor network by partitioning the network into a sum of computationally cheaper networks. This method, which we call a partitioned network expansion (PNE), builds upon recent work that systematically improves belief propagation (BP) approximations using loop corrections. However, in contrast to previous approaches, our expansion does not require a known BP fixed point to be implemented and can still yield accurate results even in cases where BP fails entirely. The flexibility of our approach is demonstrated through applications to a variety of example networks, including finite 2D and 3D networks, infinite networks, networks with open indices, and networks with degenerate BP fixed points. Benchmark numerical results for networks composed of Ising, AKLT, and random tensors typically show an improvement in accuracy over BP by several orders of magnitude (when BP solutions are obtainable) and also demonstrate improved performance over traditional network approximations based on singular value decomposition (SVD) for certain tasks.

quant-ph↗

arXiv2025

Simulating quantum dynamics in two-dimensional lattices with tensor network influence functional belief propagation

Describing nonequilibrium quantum dynamics remains a significant computational challenge due to the growth of spatial entanglement. The tensor network influence functional (TN-IF) approach mitigates this problem for computing the time evolution of local observables by encoding the subsystem's influence functional path integral as a matrix product state (MPS), thereby shifting the resource governing computational cost from spatial entanglement to temporal entanglement. We extend the applicability of the TN-IF method to two-dimensional lattices by demonstrating its construction on tree lattices and proposing a belief propagation (BP) algorithm for the TN-IF, termed influence functional BP (IF-BP), to simulate local observable dynamics on arbitrary graphs. Even though the BP algorithm introduces uncontrolled approximation errors on arbitrary graphs, it provides an accurate description for locally tree-like lattices. Numerical simulations of the kicked Ising model on a heavy-hex lattice, motivated by a recent quantum experiment, highlight the effectiveness of the IF-BP method, which demonstrates superior performance in capturing long-time dynamics where traditional tensor network state-based methods struggle. Our results further reveal that the temporal entanglement entropy (TEE) only grows logarithmically with time for this model, resulting in a polynomial computational cost for the whole method. We further construct a cluster expansion of IF-BP to introduce loop correlations beyond the BP approximation, providing a systematic correction to the IF-BP estimate. We demonstrate the power of the cluster expansion of the IF-BP in simulating the quantum quench dynamics of the 2D transverse field Ising model, obtaining numerical results that improve on the state-of-the-art.

quant-ph↗

arXiv2025

Fermionic tensor network contraction for arbitrary geometries

We describe our implementation of fermionic tensor network contraction on arbitrary lattices within both a globally ordered and locally ordered formalism. We provide a pedagogical description of these two conventions as implemented for the quimb library. Using hyperoptimized approximate contraction strategies, we present benchmark fermionic projected entangled pair states simulations of finite Hubbard models defined on the three-dimensional diamond lattice and random regular graphs.

quant-ph↗

arXiv2025

Tensor Network Loop Cluster Expansions for Quantum Many-Body Problems

We analyze the tensor network loop cluster expansion, introduced in [G. Park, J. Gray, and G. K.-L. Chan, Phys. Rev. B 112, 174310 (2025)] as a systematic correction to belief propagation, in the context of general quantum many-body problems. We provide numerical examples of the accuracy and practical applicability of the approach for the computation of ground-state observables for high bond dimension tensor networks, in two- and three-dimensions, with open and periodic boundary conditions, and for spin and fermion problems. We find that the contraction error converges approximately exponentially with cluster size, enabling accurate local observable and energy estimates for many systems where standard contraction methods are otherwise impractical.

quant-ph↗

arXiv2025

Tensor networks for quantum computing

In the rapidly evolving field of quantum computing, tensor networks serve as an important tool due to their multifaceted utility. In this paper, we review the diverse applications of tensor networks and show that they are an important instrument for quantum computing. Specifically, we summarize the application of tensor networks in various domains of quantum computing, including simulation of quantum computation, quantum circuit synthesis, quantum error correction and mitigation, and quantum machine learning. Finally, we provide an outlook on the opportunities and the challenges of the tensor-network techniques.

quant-ph↗

arXiv2025

Loop Series Expansions for Tensor Networks

Belief propagation (BP) can be a useful tool to approximately contract a tensor network, provided that the contributions from any closed loops in the network are sufficiently weak. In this manuscript we describe how a loop series expansion can be applied to systematically improve the accuracy of a BP approximation to a tensor network contraction, in principle converging arbitrarily close to the exact result. More generally, our result provides a framework for expanding a tensor network as a sum of component networks in a hierarchy of increasing complexity. We benchmark this proposal for the contraction of iPEPS, either representing the ground state of an AKLT model or with randomly defined tensors, where it is shown to improve in accuracy over standard BP by several orders of magnitude whilst incurring only a minor increase in computational cost. These results indicate that the proposed series expansions could be a useful tool to accurately evaluate tensor networks in cases that otherwise exceed the limits of established contraction routines.

quant-ph↗

arXiv2024

Tensor Network Computations That Capture Strict Variationality, Volume Law Behavior, and the Efficient Representation of Neural Network States

We introduce a change of perspective on tensor network states that is defined by the computational graph of the contraction of an amplitude. The resulting class of states, which we refer to as tensor network functions, inherit the conceptual advantages of tensor network states while removing computational restrictions arising from the need to converge approximate contractions. We use tensor network functions to compute strict variational estimates of the energy on loopy graphs, analyze their expressive power for ground-states, show that we can capture aspects of volume law time evolution, and provide a mapping of general feed-forward neural nets onto efficient tensor network functions. Our work expands the realm of computable tensor networks to ones where accurate contraction methods are not available, and opens up new avenues to use tensor networks.

quant-ph↗

arXiv2024

Hyperoptimized approximate contraction of tensor networks for rugged-energy-landscape spin glasses on periodic square and cubic lattices

Obtaining the low-energy configurations of spin glasses that have rugged energy landscapes is of direct relevance to combinatorial optimization and fundamental science. Search-based heuristics have difficulty with this task due to the existence of many local minima that are far from optimal. The work of [M. M. Rams et al., Phys. Rev. E 104, 025308 (2021)] demonstrates an alternative that can bypass this issue for spin glasses with planar or quasi-planar geometry: sampling the Boltzmann distribution via approximate contractions of tensor networks. The computational complexity of this approach is due only to the complexity of contracting the network, and is therefore independent of landscape ruggedness. Here we initiate an investigation of how to take this approach beyond (quasi-)planar geometry by utilizing hyperoptimized approximate contraction of tensor networks [J. Gray and G. K.-L. Chan, Phys. Rev. X 14, 011009 (2024)]. We perform tests on the periodic square- and cubic-lattice, planted-solution Ising spin glasses generated with tile planting [F. Hamze et al., Phys. Rev. E 97, 043303 (2018)] for up to 2304 (square lattice) and 216 (cubic lattice) spins. For a fixed bond dimension, the time complexity is quadratic. With a bond dimension of only four, over the tested system sizes the average relative energy error in the most rugged instance class remains at ~1% (square lattice) or ~10% (cubic lattice) of optimal. In less rugged instances the solution is always optimal for the square lattice and either optimal or within ~1% for the cubic lattice. These results suggest that further development of optimization methods based on tensor-network representations of spin glass partition functions may be fruitful, especially given that such methods are not limited to the Ising (i.e., binary) or two-body (i.e., quadratic) settings.

cond-mat.dis-nn↗

arXiv2024

The computational power of random quantum circuits in arbitrary geometries

Empirical evidence for a gap between the computational powers of classical and quantum computers has been provided by experiments that sample the output distributions of two-dimensional quantum circuits. Many attempts to close this gap have utilized classical simulations based on tensor network techniques, and their limitations shed light on the improvements to quantum hardware required to frustrate classical simulability. In particular, quantum computers having in excess of $\sim 50$ qubits are primarily vulnerable to classical simulation due to restrictions on their gate fidelity and their connectivity, the latter determining how many gates are required (and therefore how much infidelity is suffered) in generating highly-entangled states. Here, we describe recent hardware upgrades to Quantinuum's H2 quantum computer enabling it to operate on up to $56$ qubits with arbitrary connectivity and $99.843(5)\%$ two-qubit gate fidelity. Utilizing the flexible connectivity of H2, we present data from random circuit sampling in highly connected geometries, doing so at unprecedented fidelities and a scale that appears to be beyond the capabilities of state-of-the-art classical algorithms. The considerable difficulty of classically simulating H2 is likely limited only by qubit number, demonstrating the promise and scalability of the QCCD architecture as continued progress is made towards building larger machines.

quant-ph↗

arXiv2024

Fast and converged classical simulations of evidence for the utility of quantum computing before fault tolerance

A recent quantum simulation of observables of the kicked Ising model on 127 qubits implemented circuits that exceed the capabilities of exact classical simulation. We show that several approximate classical methods, based on sparse Pauli dynamics and tensor network algorithms, can simulate these observables orders of magnitude faster than the quantum experiment, and can also be systematically converged beyond the experimental accuracy. Our most accurate technique combines a mixed Schrödinger and Heisenberg tensor network representation with the Bethe free entropy relation of belief propagation to compute expectation values with an effective wavefunction-operator sandwich bond dimension >16,000,000, achieving an absolute accuracy, without extrapolation, in the observables of <0.01, which is converged for many practical purposes. We thereby identify inaccuracies in the experimental extrapolations and suggest how future experiments can be implemented to increase the classical hardness.

quant-ph↗

arXiv2023

Hyper-optimized approximate contraction of tensor networks with arbitrary geometry

Tensor network contraction is central to problems ranging from many-body physics to computer science. We describe how to approximate tensor network contraction through bond compression on arbitrary graphs. In particular, we introduce a hyper-optimization over the compression and contraction strategy itself to minimize error and cost. We demonstrate that our protocol outperforms both hand-crafted contraction strategies in the literature as well as recently proposed general contraction algorithms on a variety of synthetic and physical problems on regular lattices and random regular graphs. We further showcase the power of the approach by demonstrating approximate contraction of tensor networks for frustrated three-dimensional lattice partition functions, dimer counting on random regular graphs, and to access the hardness transition of random tensor network models, in graphs with many thousands of tensors.

quant-ph↗

arXiv2023

One-step replica symmetry breaking in the language of tensor networks

We develop an exact mapping between the one-step replica symmetry breaking cavity method and tensor networks. The two schemes come with complementary mathematical and numerical toolboxes that could be leveraged to improve the respective states of the art. As an example, we construct a tensor-network representation of Survey Propagation, one of the best deterministic k-SAT solvers. The resulting algorithm outperforms any existent tensor-network solver by several orders of magnitude. We comment on the generality of these ideas, and we show how to extend them to the context of quantum tensor networks.

quant-ph↗

arXiv2022

Is there evidence for exponential quantum advantage in quantum chemistry?

The idea to use quantum mechanical devices to simulate other quantum systems is commonly ascribed to Feynman. Since the original suggestion, concrete proposals have appeared for simulating molecular and materials chemistry through quantum computation, as a potential ``killer application''. Indications of potential exponential quantum advantage in artificial tasks have increased interest in this application, thus, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy estimation. We conclude that evidence for such an exponential advantage across chemical space has yet to be found. While quantum computers may still prove useful for quantum chemistry, it may be prudent to assume exponential speedups are not generically available for this problem.

physics.chem-ph↗