Tensor Network Contraction Research Articles

Approximate optimization, sampling, and spin-glass droplet discovery with tensor networks.

We devise a deterministic algorithm to efficiently sample high-quality solutions of certain spin-glass systems that encode hard optimization problems. We employ tensor networks to represent the Gibbs distribution of all possible configurations. Using approximate tensor-network contractions, we are able to efficiently map the low-energy spectrum of some quasi-two-dimensional Hamiltonians. We exploit the local nature of the problems to compute spin-glass droplets geometries, which provides a new form of compression of the low-energy spectrum. It naturally extends to sampling, which otherwise, for exact contraction, is #P-complete. In particular, for one of the hardest known problem-classes devised on chimera graphs known as deceptive cluster loops and for up to 2048 spins, we find on the order of 10^{10} degenerate ground states in a single run of our algorithm, computing better solutions than have been reported on some hard instances. Our gradient-free approach could provide new insight into the structure of disordered spin-glass complexes, with ramifications both for machine learning and noisy intermediate-scale quantum devices.

Comparative Study of Sampling-Based Simulation Costs of Noisy Quantum Circuits

Noise in quantum operations often negates the advantage of quantum computation. However, most classical simulations of quantum computers calculate the ideal probability amplitudes by either storing full state vectors or using sophisticated tensor-network contractions. Here we investigate sampling-based classical simulation methods for noisy quantum circuits. Specifically, we characterize the simulation costs of two major schemes, stabilizer-state sampling of magic states and Heisenberg propagation, for quantum circuits subject to stochastic Pauli noise, such as depolarizing and dephasing noise. To this end, we introduce several techniques for the stabilizer-state sampling to reduce the simulation costs under such noise. It is revealed that in the low-noise regime, stabilizer-state sampling results in a smaller sampling cost, while Heisenberg propagation is better in the high-noise regime. Furthermore, for a high depolarizing noise rate of approximately 10%, these methods provide better scaling than that given by the low-rank stabilizer decomposition. We believe that this knowledge of classical simulation costs is useful to achieve possible quantum advantage on near-term noisy quantum devices as well as efficient classical simulation methods.

Hyper-optimized tensor network contraction

Tensor networks represent the state-of-the-art in computational methods across many disciplines, including the classical simulation of quantum many-body systems and quantum circuits. Several applications of current interest give rise to tensor networks with irregular geometries. Finding the best possible contraction path for such networks is a central problem, with an exponential effect on computation time and memory footprint. In this work, we implement new randomized protocols that find very high quality contraction paths for arbitrary and large tensor networks. We test our methods on a variety of benchmarks, including the random quantum circuit instances recently implemented on Google quantum chips. We find that the paths obtained can be very close to optimal, and often many orders or magnitude better than the most established approaches. As different underlying geometries suit different methods, we also introduce a hyper-optimization approach, where both the method applied and its algorithmic parameters are tuned during the path finding. The increase in quality of contraction schemes found has significant practical implications for the simulation of quantum many-body systems and particularly for the benchmarking of new quantum chips. Concretely, we estimate a speed-up of over 10,000×compared to the original expectation for the classical simulation of the Sycamore `supremacy' circuits.

Tropical Tensor Network for Ground States of Spin Glasses.

We present a unified exact tensor network approach to compute the ground state energy, identify the optimal configuration, and count the number of solutions for spin glasses. The method is based on tensor networks with the tropical algebra defined on the semiring of (R∪{-∞},⊕,⊙). Contracting the tropical tensor network gives the ground state energy; differentiating through the tensor network contraction gives the ground state configuration; mixing the tropical algebra and the ordinary algebra counts the ground state degeneracy. The approach brings together the concepts from graphical models, tensor networks, differentiable programming, and quantum circuit simulation, and easily utilizes the computational power of graphical processing units (GPUs). For applications, we compute the exact ground state energy of Ising spin glasses on square lattice up to 1024 spins, on cubic lattice up to 216 spins, and on three regular random graphs up to 220 spins, on a single GPU; we obtain exact ground state energy of ±J Ising spin glass on the chimera graph of D-Wave quantum annealer of 512 qubits in less than 100s and investigate the exact value of the residual entropy of ±J spin glasses on the chimera graph; finally, we investigate ground-state energy and entropy of three-state Potts glasses on square lattices up to size 18×18. Our approach provides baselines and benchmarks for exact algorithms for spin glasses and combinatorial optimization problems, and for evaluating heuristic algorithms and mean-field theories.

Simulation of quantum many-body systems on Amazon cloud

Quantum many-body systems (QMBs) are some of the most challenging physical systems to simulate numerically. Methods involving approximations for tensor network (TN) contractions have proven to be viable alternatives to algorithms such as quantum Monte Carlo or simulated annealing. However, these methods are cumbersome, difficult to implement, and often have significant limitations in their accuracy and efficiency when considering systems in more than one dimension. In this paper, we explore the exact computation of TN contractions on two-dimensional geometries and present a heuristic improvement of TN contraction that reduces the computing time, the amount of memory, and the communication time. We run our algorithm for the Ising model using memory optimized x1.32x large instances on Amazon Web Services (AWS) Elastic Compute Cloud (EC2). Our results show that cloud computing is a viable alternative to supercomputers for this class of scientific applications.

Simple heuristics for efficient parallel tensor contraction and quantum circuit simulation

Tensor networks are the main building blocks in a wide variety of computational sciences, ranging from many-body theory and quantum computing to probability and machine learning. Here we propose a parallel algorithm for the contraction of tensor networks using probabilistic graphical models. Our approach is based on the heuristic solution of the $\mu$-treewidth deletion problem in graph theory. We apply the resulting algorithm to the simulation of random quantum circuits and discuss the extensions for general tensor network contractions.

Algorithms for tensor network contraction ordering

Contracting tensor networks is often computationally demanding. Well-designed contraction sequences can dramatically reduce the contraction cost. We explore the performance of simulated annealing and genetic algorithms, two common discrete optimization techniques, to this ordering problem. We benchmark their performance as well as that of the commonly-used greedy search on physically relevant tensor networks. Where computationally feasible, we also compare them with the optimal contraction sequence obtained by an exhaustive search. Furthermore, we present a systematic comparison with state-of-the-art tree decomposition and graph partitioning algorithms in the context of random regular graph tensor networks. We find that the algorithms we consider consistently outperform a greedy search given equal computational resources, with an advantage that scales with tensor network size. We compare the obtained contraction sequences and identify signs of highly non-local optimization, with the more sophisticated algorithms sacrificing run-time early in the contraction for better overall performance.

Nonuniversal entanglement level statistics in projection-driven quantum circuits

We study the level-spacing statistics in the entanglement spectrum of output states of random universal quantum circuits where qubits are subject to a finite probability of projection to the computational basis at each time step. We encounter two phase transitions with increasing projection rate: The first is the volume-to-area law transition observed in quantum circuits with projective measurements; The second separates the pure Poisson level statistics phase at large projective measurement rates from a regime of residual level repulsion in the entanglement spectrum within the area-law phase, characterized by non-universal level spacing statistics that interpolates between the Wigner-Dyson and Poisson distributions. By applying a tensor network contraction algorithm introduced in Ref. [1] to the circuit spacetime, we identify this second projective-measurement-driven transition as a percolation transition of entangled bonds. The same behavior is observed in both circuits of random two-qubit unitaries and circuits of universal gate sets, including the set implemented by Google in its Sycamore circuits.

Contracting projected entangled pair states is average-case hard

An accurate calculation of the properties of quantum many-body systems is one of the most important yet intricate challenges of modern physics and computer science. In recent years, the tensor network ansatz has established itself as one of the most promising approaches enabling striking efficiency of simulating static properties of one-dimensional systems and abounding numerical applications in condensed matter theory. In higher dimensions, however, a connection to the field of computational complexity theory has shown that the accurate normalization of the two-dimensional tensor networks called projected entangled pair states (PEPS) is #P-complete. Therefore, an efficient algorithm for PEPS contraction would allow to solve exceedingly difficult combinatorial counting problems, which is considered highly unlikely. Due to the importance of understanding two- and three-dimensional systems the question currently remains: Are the known constructions typical of states relevant for quantum many-body systems? In this work, we show that an accurate evaluation of normalization or expectation values of PEPS is as hard to compute for typical instances as for special configurations of highest computational hardness. We discuss the structural property of average-case hardness in relation to the current research on efficient algorithms attempting tensor network contraction, hinting at a wealth of possible further insights into the average-case hardness of important problems in quantum many-body theory.

Fast counting with tensor networks

We introduce tensor network contraction algorithms for counting satisfying assignments of constraint satisfaction problems (#CSPs). We represent each arbitrary #CSP formula as a tensor network, whose full contraction yields the number of satisfying assignments of that formula, and use graph theoretical methods to determine favorable orders of contraction. We employ our heuristics for the solution of #P-hard counting boolean satisfiability (#SAT) problems, namely monotone #1-in-3SAT and #Cubic-Vertex-Cover, and find that they outperform state-of-the-art solvers by a significant margin.

Evaluating the Jones polynomial with tensor networks.

We introduce tensor network contraction algorithms for the evaluation of the Jones polynomial of arbitrary knots. The value of the Jones polynomial of a knot is reduces to the partition function of a q-state anisotropic Potts model with complex interactions, which is defined on a planar signed graph that corresponds to the knot. For any integer q, we cast this partition function into tensor network form, which inherits the interaction graph structure of the Potts model instance, and employ fast tensor network contraction protocols to obtain the exact tensor trace and thus the value of the Jones polynomial. By sampling random knots via a grid-walk procedure and computing the full tensor trace exactly, we demonstrate numerically that the Jones polynomial can be evaluated in time that scales subexponentially with the number of crossings in the typical case. This allows us to evaluate the Jones polynomial of knots that are too complex to be treated with other available methods. Our results establish tensor network methods as a practical tool for the study of knots.

QTorch: The quantum tensor contraction handler.

Classical simulation of quantum computation is necessary for studying the numerical behavior of quantum algorithms, as there does not yet exist a large viable quantum computer on which to perform numerical tests. Tensor network (TN) contraction is an algorithmic method that can efficiently simulate some quantum circuits, often greatly reducing the computational cost over methods that simulate the full Hilbert space. In this study we implement a tensor network contraction program for simulating quantum circuits using multi-core compute nodes. We show simulation results for the Max-Cut problem on 3- through 7-regular graphs using the quantum approximate optimization algorithm (QAOA), successfully simulating up to 100 qubits. We test two different methods for generating the ordering of tensor index contractions: one is based on the tree decomposition of the line graph, while the other generates ordering using a straight-forward stochastic scheme. Through studying instances of QAOA circuits, we show the expected result that as the treewidth of the quantum circuit’s line graph decreases, TN contraction becomes significantly more efficient than simulating the whole Hilbert space. The results in this work suggest that tensor contraction methods are superior only when simulating Max-Cut/QAOA with graphs of regularities approximately five and below. Insight into this point of equal computational cost helps one determine which simulation method will be more efficient for a given quantum circuit. The stochastic contraction method outperforms the line graph based method only when the time to calculate a reasonable tree decomposition is prohibitively expensive. Finally, we release our software package, qTorch (Quantum TensOR Contraction Handler), intended for general quantum circuit simulation. For a nontrivial subset of these quantum circuits, 50 to 100 qubits can easily be simulated on a single compute node.

Duality of graphical models and tensor networks

Abstract In this article we show the duality between tensor networks and undirected graphical models with discrete variables. We study tensor networks on hypergraphs, which we call tensor hypernetworks. We show that the tensor hypernetwork on a hypergraph exactly corresponds to the graphical model given by the dual hypergraph. We translate various notions under duality. For example, marginalization in a graphical model is dual to contraction in the tensor network. Algorithms also translate under duality. We show that belief propagation corresponds to a known algorithm for tensor network contraction. This article is a reminder that the research areas of graphical models and tensor networks can benefit from interaction.

Infinite projected entangled-pair state algorithm for ruby and triangle-honeycomb lattices

The infinite Projected Entangled-Pair State (iPEPS) algorithm is one of the most efficient techniques for studying the ground-state properties of two-dimensional quantum lattice Hamiltonians in the thermodynamic limit. Here, we show how the algorithm can be adapted to explore nearest-neighbor local Hamiltonians on the ruby and triangle-honeycomb lattices, using the Corner Transfer Matrix (CTM) renormalization group for 2D tensor network contraction. Additionally, we show how the CTM method can be used to calculate the ground state fidelity per lattice site and the boundary density operator and entanglement entropy (EE) on an infinite cylinder. As a benchmark, we apply the iPEPS method to the ruby model with anisotropic interactions and explore the ground-state properties of the system. We further extract the phase diagram of the model in different regimes of the couplings by measuring two-point correlators, ground state fidelity and EE on an infinite cylinder. Our phase diagram is in agreement with previous studies of the model by exact diagonalization.

Regularized Computation of Approximate Pseudoinverse of Large Matrices Using Low-Rank Tensor Train Decompositions

We propose a new method for low-rank approximation of Moore-Penrose pseudoinverses (MPPs) of large-scale matrices using tensor networks. The computed pseudoinverses can be useful for solving or preconditioning of large-scale overdetermined or underdetermined systems of linear equations. The computation is performed efficiently and stably based on the modified alternating least squares (MALS) scheme using low-rank tensor train (TT) decompositions and tensor network contractions. The formulated large-scale optimization problem is reduced to sequential smaller-scale problems for which any standard and stable algorithms can be applied. Regularization technique is incorporated in order to alleviate ill-posedness and obtain robust low-rank approximations. Numerical simulation results illustrate that the regularized pseudoinverses of a wide class of non-square or nonsymmetric matrices admit good approximate low-rank TT representations. Moreover, we demonstrated that the computational cost of the proposed method is only logarithmic in the matrix size given that the TT-ranks of a data matrix and its approximate pseudoinverse are bounded. It is illustrated that a strongly nonsymmetric convection-diffusion problem can be efficiently solved by using the preconditioners computed by the proposed method.

Tensor Network Contractions for #SAT

The computational cost of counting the number of solutions satisfying a Boolean formula, which is a problem instance of #SAT, has proven subtle to quantify. Even when finding individual satisfying solutions is computationally easy (e.g. 2-SAT, which is in $$\mathsf{{P}}$$ ), determining the number of solutions can be # $$\mathsf{{P}}$$ -hard. Recently, computational methods simulating quantum systems experienced advancements due to the development of tensor network algorithms and associated quantum physics-inspired techniques. By these methods, we give an algorithm using an axiomatic tensor contraction language for n-variable #SAT instances with complexity $$O((g+cd)^{O(1)} 2^c)$$ where c is the number of COPY-tensors, g is the number of gates, and d is the maximal degree of any COPY-tensor. Thus, n-variable counting problems can be solved efficiently when their tensor network expression has at most $$O(\log n)$$ COPY-tensors and polynomial fan-out. This framework also admits an intuitive proof of a variant of the Tovey conjecture (the r,1-SAT instance of the Dubois–Tovey theorem). This study increases the theory, expressiveness and application of tensor based algorithmic tools and provides an alternative insight on these problems which have a long history in statistical physics and computer science.

An exact tensor network for the 3SAT problem

We construct a tensor network that delivers an unnormalized quantum state whose coefficients are the solutions to a given instance of 3SAT, an NP-complete problem. The tensor network contraction that corresponds to the norm of the state counts the number of solutions to the instance. It follows that exact contractions of this tensor network are in the \#P-complete computational complexity class, thus believed to be a hard task. Furthermore, we show that for a 3SAT instance with $n$ bits, it is enough to perform a polynomial number of contractions of the tensor network structure associated to the computation of local observables to obtain one of the explicit solutions to the problem, if any. Physical realization of a state described by a generic tensor network is equivalent to finding the satisfying assignment of a 3SAT instance and, consequently, this experimental task is expected to be hard.

An exact tensor network for the 3SAT problem

We construct a tensor network that delivers an unnormalized quantum state whose coefficients are the solutions to a given instance of 3SAT, an NP-complete problem. The tensor network contraction that corresponds to the norm of the state counts the number of solutions to the instance. It follows that exact contractions of this tensor network are in the #P-complete computational complexity class, thus believed to be a hard task. Furthermore, we show that for a 3SAT instance with n bits, it is enough to perform a polynomial number of contractions of the tensor network structure associated to the computation of local observables to obtain one of the explicit solutions to the problem, if any. Physical realization of a state described by a generic tensor network is equivalent to finding the satisfying assignment of a 3SAT instance and, consequently, this experimental task is expected to be hard.

Discrete transparent boundary conditions for general Schrödinger-type equations

Quantum many-body systems (QMBs) are some of the most challenging physical systems to simulate numerically. Methods involving approximations for tensor network (TN) contractions have proven to be viable alternatives to algorithms such as quantum Monte Carlo or simulated annealing. However, these methods are cumbersome, difficult to implement, and often have significant limitations in their accuracy and efficiency when considering systems in more than one dimension. In this paper, we explore the exact computation of TN contractions on two-dimensional geometries and present a heuristic improvement of TN contraction that reduces the computing time, the amount of memory, and the communication time. We run our algorithm for the Ising model using memory optimized x1.32x large instances on Amazon Web Services (AWS) Elastic Compute Cloud (EC2). Our results show that cloud computing is a viable alternative to supercomputers for this class of scientific applications.