Subspace-iteration CTMRG (SI-CTMRG), a QR-based projector construction that replaces each large-matrix SVD with an SVD of a much smaller matrix, making it highly suited to GPU acceleration and yielding speedups of up to two orders of magnitude over standard CTMRG.
Abstract
The corner transfer matrix renormalization group (CTMRG) is one of the standard contraction methods for infinite projected entangled-pair states (iPEPS), but its computational cost is dominated by repeated truncated singular value decompositions (SVDs). We introduce subspace-iteration CTMRG (SI-CTMRG), a QR-based projector construction that replaces each large-matrix SVD with an SVD of a much smaller matrix. The resulting algorithm shifts the dominant cost from decompositions to tensor contractions, making it highly suited to GPU acceleration and yielding speedups of up to two orders of magnitude over standard CTMRG. We demonstrate the efficiency and accuracy of the method for the triangular-lattice Heisenberg antiferromagnet, reaching state-of-the-art iPEPS results on a single H100 GPU in approximately 10 hours of computation.
A new SVD-based tensor decomposition method for tensor networks with arbitrary graph topologies is introduced, and it is found that the graph-format representation attains comparable or better accuracy than the classical tensor train and hierarchical Tucker tensor formats, while using substantially fewer degrees of freedom at lower computational cost.
The Variational Quantum Eigensolver (VQE) and its adaptive variants, such as ADAPT-VQE, are central to the study of strongly correlated quantum systems. However, the classical simulation of the ansatz growth process remains constrained by the exponential scaling of operator space and the associated computational cost of unitary evolution. We introduce the Greedy Operator Commutativity Partitioning (GOCP) framework, an analytical methodology designed to optimize both operator selection and state evolution. By reformulating complex unitary rotations as a chained sequence of fifth-order O(5) Taylor series expansions, GOCP bypasses the need for explicit matrix exponentiation, reducing the computational task to a sequence of sparse matrix-vector operations. We evaluate the performance of this framework across diverse molecular systems, including BeH2 and strongly correlated H2O geometries, utilizing both Jordan-Wigner and Bravyi-Kitaev mappings. Our results demonstrate that the GOCP framework maintains exceptional numerical fidelity-exceeding 1 - 10^-6 in state fidelity-while achieving sub-chemical accuracy in ground-state energy calculations. By enabling the simulation of operator manifolds exceeding 2.68 x 10^8 elements with high efficiency, this approach provides a scalable and rigorous pathway for exploring deep variational circuits in complex quantum many-body systems.
Tensor networks are powerful formats for compressing large-scale data. However, their application to general data processing has been limited by the difficulty of performing nonlinear operations. Here, we introduce iterative tensor network transformations (ITNTs), a general algorithmic framework for the element-wise evaluation of elementary and nonlinear filtering functions on data encoded as tensor trains (TTs), a class of tensor networks. Our approach operates entirely in the compressed domain, enabling efficient computation on exponentially large datasets while maintaining a controlled computational cost. We demonstrate its power in two key areas: (I) evaluating highly nonlinear elementary and filtering functions on a 3D reactive flow field, enabling high-fidelity reaction rate computation and region filtering, and (II) finding extrema in complex optimization problems, such as solving Max-SAT instances on spaces up to $2^{70}$ configurations. These results establish ITNT as a foundational tool that provides tensor network methods with the capability for general-purpose data science and large-scale optimization.
Xiao Wang, Tomohiro Hashizume, Pia Siegl et al.· 2 citations
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.
Si-Jing Du, Johnnie Gray, Ao Chen et al.· 0 citations