New Approaches to Tensor Network Simulation of 2D Quantum Systems

Irene Papaefstathiou, J. I. Cirac, Technische Universität München

Yuchen Pang, Tianyi Hao, Annika Dugad +2 more

Simulation of quantum systems is challenging due to the exponential size of the state space. Tensor networks provide a systematically improvable approximation for quantum states. 2D tensor networks such as Projected Entangled Pair States (PEPS) are well-suited for key classes of physical systems and quantum circuits. However, direct contraction of PEPS networks has exponential cost, while approximate algorithms require computations with large tensors. We propose new scalable algorithms and software abstractions for PEPS-based methods, accelerating the bottleneck operation of contraction and refactorization of a tensor subnetwork. We employ randomized SVD with an implicit matrix to reduce cost and memory footprint asymptotically. Further, we develop a distributed-memory PEPS library and study accuracy and efficiency of alternative algorithms for PEPS contraction and evolution on the Stampede2 supercomputer. We also simulate a popular near-term quantum algorithm, the Variational Quantum Eigensolver (VQE), and benchmark Imaginary Time Evolution (ITE), which compute ground states of Hamiltonians.

Shi-Ju Ran, Wei Li, Bin Xi +2 more

An algorithm based on the optimized decimation of tensor networks with super-orthogonalization (ODTNS) that can be applied to simulate efficiently and accurately not only the ground state but also the thermodynamic properties of two-dimensional (2D) quantum lattice models is proposed. By transforming the 2D quantum model into a three-dimensional (3D) closed tensor network (TN) comprised of the tensor product density operator and a 3D brick-wall TN, the free energy of the system can be calculated with the imaginary time evolution, in which the network Tucker decomposition is suggested for the first time to obtain the optimal lower-dimensional approximation on the bond space by transforming the TN into a super-orthogonal form. The efficiency and accuracy of this algorithm are testified, which are fairly comparable with the quantum Monte Carlo calculations. Besides, the present ODTNS scheme can also be applicable to the 2D frustrated quantum spin models with nice efficiency.

Nir Gutman

Simulating many-body quantum systems on a classical computer is difficult due to the large number of degrees of freedom, causing the computational complexity to grow exponentially with system size. Tensor Networks (TN) is a framework that breaks down large tensors into a network of smaller tensors, enabling efficient simulation of certain many-body quantum systems. To calculate expectation values of local observables or simulate nearest-neighbor interactions, a contraction of the entire network is needed. This is a known hard problem, which cannot be done exactly for systems with spatial dimension D>1 and is the major bottleneck in all tensor-network based algorithms. Various approximate-contraction algorithms have been suggested, all with their strengths and weaknesses. Nevertheless, contracting a 2D TN remains a major numerical challenge, limiting the use of TN techniques for many interesting systems. Recently, a close connection between TN and Probabilistic Graphical Models (PGM) has been shown. In the PGM framework, marginals of complicated probability distributions can be approximated using iterative message passing algorithms such as Belief Propagation (BP). The BP algorithm can be adapted to the TN framework as an efficient contraction algorithm. While BP is extremely efficient and easy to parallelize, it often yields inaccurate results for highly correlated quantum states or frustrated systems. To overcome this, we suggest the BlockBP algorithm, which coarse-grains the system into blocks and performs BP between them. This thesis focuses on: (i) development and implementation of the BlockBP algorithm for infinite lattices; (ii) using this algorithm to study the anti-ferromagnetic Heisenberg model on the Kagome lattice in the thermodynamic limit - a frustrated 2D model that is difficult to simulate using existing numerical methods.

Román Orús

Tao Xiang, Hui‐Hai Zhao, Q. N. Chen +3 more