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arXiv:2110.03898 · Machine Learning Science and Technology

Differentiable programming of isometric tensor networks

Chenhua Geng, Hong-Ye Hu, Yijian Zou

Published Jan 6, 2022• 12 citations
arXivHTMLPDF

Abstract

Abstract Differentiable programming is a new programming paradigm which enables large scale optimization through automatic calculation of gradients also known as auto-differentiation. This concept emerges from deep learning, and has also been generalized to tensor network optimizations. Here, we extend the differentiable programming to tensor networks with isometric constraints with applications to multiscale entanglement renormalization ansatz (MERA) and tensor network renormalization (TNR). By introducing several gradient-based optimization methods for the isometric tensor network and comparing with Evenbly–Vidal method, we show that auto-differentiation has a better performance for both stability and accuracy. We numerically tested our methods on 1D critical quantum Ising spin chain and 2D classical Ising model. We calculate the ground state energy for the 1D quantum model and internal energy for the classical model, and scaling dimensions of scaling operators and find they all agree with the theory well.

DOI
10.1088/2632-2153/ac48a2

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Abstract Differentiable programming is a new programming paradigm which enables large scale optimization through automatic calculation of gradients also known as auto-differentiation. This concept emerges from deep learning, and has also been generalized to tensor network optimizations. Here, we extend the differentiable programming to tensor networks with isometric constraints with applications to multiscale entanglement renormalization ansatz (MERA) and tensor network renormalization (TNR). By introducing several gradient-based optimization methods for the isometric tensor network and comparing with Evenbly–Vidal method, we show that auto-differentiation has a better performance for both stability and accuracy. We numerically tested our methods on 1D critical quantum Ising spin chain and 2D classical Ising model. We calculate the ground state energy for the 1D quantum model and internal energy for the classical model, and scaling dimensions of scaling operators and find they all agree with the theory well.
Differentiable programming is a fresh programming paradigm which composes parameterized algorithmic components and optimizes them using gradient search.The concept emerges from deep learning but is not limited to training neural networks.We present the theory and practice of programming tensor network algorithms in a fully differentiable way.By formulating the tensor network algorithm as a computation graph, one can compute higher-order derivatives of the program accurately and efficiently using automatic differentiation.We present essential techniques to differentiate through the tensor networks contraction algorithms, including numerical stable differentiation for tensor decompositions and efficient backpropagation through fixed-point iterations.As a demonstration, we compute the specific heat of the Ising model directly by taking the second-order derivative of the free energy obtained in the tensor renormalization group calculation.Next, we perform gradient-based variational optimization of infinite projected entangled pair states for the quantum antiferromagnetic Heisenberg model and obtain state-ofthe-art variational energy and magnetization with moderate efforts.Differentiable programming removes laborious human efforts in deriving and implementing analytical gradients for tensor network programs, which opens the door to more innovations in tensor network algorithms and applications.
Several tensor networks are built of isometric tensors, i.e. tensors satisfying W\dagger W = \mathbb{1} W † W = 1 . Prominent examples include matrix product states (MPS) in canonical form, the multiscale entanglement renormalization ansatz (MERA), and quantum circuits in general, such as those needed in state preparation and quantum variational eigensolvers. We show how gradient-based optimization methods on Riemannian manifolds can be used to optimize tensor networks of isometries to represent e.g. ground states of 1D quantum Hamiltonians. We discuss the geometry of Grassmann and Stiefel manifolds, the Riemannian manifolds of isometric tensors, and review how state-of-the-art optimization methods like nonlinear conjugate gradient and quasi-Newton algorithms can be implemented in this context. We apply these methods in the context of infinite MPS and MERA, and show benchmark results in which they outperform the best previously-known optimization methods, which are tailor-made for those specific variational classes. We also provide open-source implementations of our algorithms.
Abstract Optimization with constraints is a typical problem in quantum physics and quantum information science that becomes especially challenging for high-dimensional systems and complex architectures like tensor networks. Here we use ideas of Riemannian geometry to perform optimization on the manifolds of unitary and isometric matrices as well as the cone of positive-definite matrices. Combining this approach with the up-to-date computational methods of automatic differentiation, we demonstrate the efficacy of the Riemannian optimization in the study of the low-energy spectrum and eigenstates of multipartite Hamiltonians, variational search of a tensor network in the form of the multiscale entanglement-renormalization ansatz, preparation of arbitrary states (including highly entangled ones) in the circuit implementation of quantum computation, decomposition of quantum gates, and tomography of quantum states. Universality of the developed approach together with the provided open source software enable one to apply the Riemannian optimization to complex quantum architectures well beyond the listed problems, for instance, to the optimal control of noisy quantum systems.
Variational quantum algorithms are practical approaches to prepare ground states, but their potential for quantum advantage remains unclear. Here, we use differentiable 2D tensor networks (TN) to optimize parameterized quantum circuits that prepare the ground state of the transverse field Ising model (TFIM). Our method enables the preparation of states with high energy accuracy, even for large systems beyond 1D. We show that TN pre-optimization can mitigate the barren plateau issue by giving access to enhanced gradient zones that do not shrink exponentially with system size. We evaluate the classical simulation cost evaluating energies at these warm-starts, and identify regimes where quantum hardware offers better scaling than TN simulations.
We present a general computational framework to investigate ground-state properties of quantum spin models on infinite two-dimensional lattices using automatic differentiation-based gradient optimization of infinite projected entangled-pair states. The approach exploits the variational uniform matrix product states to contract infinite tensor networks with unit cell structure and incorporates automatic differentiation to optimize the local tensors. We applied this framework to the Kitaev-type model, which involves complex interactions and competing ground states. To evaluate the accuracy of this method, we compared the results with exact solutions for the Kitaev model and found that it has a better agreement for various observables compared to previous tensor network calculations based on imaginary-time projection. Additionally, by finding out the ground state with lower variational energy compared to previous studies, we provided convincing evidence for the existence of nematic paramagnetic phases and 18-site configuration in the phase diagram of the $K\text{\ensuremath{-}}\mathrm{\ensuremath{\Gamma}}$ model. Furthermore, in the case of the realistic $K\text{\ensuremath{-}}J\text{\ensuremath{-}}\mathrm{\ensuremath{\Gamma}}\text{\ensuremath{-}}{\mathrm{\ensuremath{\Gamma}}}^{\ensuremath{'}}$ model for the Kitaev material $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{RuCl}}_{3}$, we discovered a noncollinear zigzag ground state. Lastly, we also find that the strength of the critical out-of-plane magnetic field that suppresses such a zigzag state has a lower transition field value than the previous finite-cylinder calculations. The framework is versatile and will be useful for a quick scan of phase diagrams for a broad class of quantum spin models.
Tensor renormalization group (TRG) constitutes an important methodology for accurate simulations of strongly correlated lattice models. Facilitated by the automatic differentiation technique widely used in deep learning, we propose a uniform framework of differentiable TRG ($\ensuremath{\partial}\mathrm{TRG}$) that can be applied to improve various TRG methods, in an automatic fashion. $\ensuremath{\partial}\mathrm{TRG}$ systematically extends the essential concept of second renormalization [Phys. Rev. Lett. 103, 160601 (2009)] where the tensor environment is computed recursively in the backward iteration. Given the forward TRG process, $\ensuremath{\partial}\mathrm{TRG}$ automatically finds the gradient of local tensors through backpropagation, with which one can deeply ``train'' the tensor networks. We benchmark $\ensuremath{\partial}\mathrm{TRG}$ in solving the square-lattice Ising model, and we demonstrate its power by simulating one- and two-dimensional quantum systems at finite temperature. The global optimization as well as GPU acceleration renders $\ensuremath{\partial}\mathrm{TRG}$ a highly efficient and accurate many-body computation approach.