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The ITensor Software Library for Tensor Network Calculations (2007.14822v2)

Published 28 Jul 2020 in cs.MS, cond-mat.str-el, and physics.comp-ph

Abstract: ITensor is a system for programming tensor network calculations with an interface modeled on tensor diagram notation, which allows users to focus on the connectivity of a tensor network without manually bookkeeping tensor indices. The ITensor interface rules out common programming errors and enables rapid prototyping of tensor network algorithms. After discussing the philosophy behind the ITensor approach, we show examples of each part of the interface including Index objects, the ITensor product operator, tensor factorizations, tensor storage types, algorithms for matrix product state (MPS) and matrix product operator (MPO) tensor networks, quantum number conserving block-sparse tensors, and the NDTensors library. We also review publications that have used ITensor for quantum many-body physics and for other areas where tensor networks are increasingly applied. To conclude we discuss promising features and optimizations to be added in the future.

Citations (699)

Summary

  • The paper presents ITensor’s main contribution by automating tensor network calculations with robust index management and decomposition routines.
  • It details a multilevel library design that minimizes programming errors and accelerates algorithm development for quantum system simulations.
  • Results demonstrate significant performance gains in speed and memory usage, validating ITensor’s efficacy in handling diverse tensor operations.

Overview of the ITensor Software Library for Tensor Network Calculations

The paper on ITensor provides an in-depth exploration of a sophisticated software library designed to facilitate tensor network calculations. The library offers a robust interface modeled on tensor diagram notation, allowing researchers to focus on the structural connectivity of tensor networks without the need to manually manage tensor indices.

Key Features

The ITensor library stands out due to its focus on reducing programming errors and accelerating algorithm development. The system comprises several components including:

  • Index Objects and ITensor Product Operator: Utilizing Index objects helps in maintaining consistency across tensor operations. The ITensor product operator manages tensor index alignment, thus abstracting away low-level details such as index permutation.
  • Tensor Decompositions: ITensor automates tensor decomposition processes, such as SVD and QR decompositions, allowing researchers to specify row and column indices seamlessly.
  • Multilevel Library Design: ITensor supports operations at multiple layers, offering high-level functions for standard routines like DMRG while allowing low-level tensor manipulations when needed.

Strong Numerical Results and Contradictory Claims

One of the notable strengths of ITensor is its ability to handle dense and sparse tensors concurrently, optimizing operations for each storage type. Results have shown substantial improvements in speed and memory usage, demonstrated through key algorithms, such as DMRG, which are implemented in ITensor. Evaluations reveal the system's efficacy in both one-dimensional and quasi-two-dimensional quantum systems, providing substantial computational performance improvements compared to other existing software frameworks.

Implications and Future Developments

The implications of ITensor are vast. Practically, the software facilitates rapid prototyping and accurate simulations of complex quantum systems. Theoretically, it offers new avenues for exploring tensor network methodologies and their applications beyond conventional quantum physics.

Future developments include enhanced support for automatic differentiation (AD), extending the functionality of tensor networks in fields like machine learning, optimization, and quantum computing. The incorporation of fermionic systems and broader symmetry support, including non-Abelian groups, will further broaden the applicability of ITensor.

Conclusion

In conclusion, ITensor provides a comprehensive, efficient, and flexible solution for tensor network calculations. It serves as both a powerful research tool and a framework for future innovations in computational resources and tensor network application areas. As tensor network methodologies continue to expand, ITensor is well-positioned to facilitate the ongoing development and implementation of these techniques across diverse scientific domains.

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