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arxiv: 2605.19960 · v1 · pith:6RUOETN7new · submitted 2026-05-19 · ❄️ cond-mat.str-el · physics.comp-ph· quant-ph

PEPSKit.jl: A Julia package for projected entangled-pair state simulations

Pith reviewed 2026-05-20 04:06 UTC · model grok-4.3

classification ❄️ cond-mat.str-el physics.comp-phquant-ph
keywords infinite projected entangled-pair statestensor network methodstwo-dimensional quantum systemssymmetries in simulationsfermionic systemsnumerical many-body methodsground-state optimizationtime evolution algorithms
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The pith

A package supplies high-level algorithms for infinite projected entangled-pair state simulations of two-dimensional quantum many-body systems that handle multiple symmetries and fermions.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

This paper presents a software package for performing simulations of two-dimensional quantum many-body systems based on infinite projected entangled-pair states. The approach matters because it targets systems where exact solutions are unavailable and where symmetries play a key role in the physics. The package incorporates algorithms that accommodate both Abelian and non-Abelian symmetries along with fermionic degrees of freedom. It further provides routines for ground-state searches, time evolution, and finite-temperature calculations across different lattice geometries. Examples and technical checks illustrate how these features operate in practice.

Core claim

The package provides high-level algorithms for iPEPS simulations that support both Abelian and non-Abelian symmetries, as well as fermionic systems, for ground-state, time-evolution, and finite-temperature simulations in systems with different physical symmetries and lattice geometries.

What carries the argument

High-level iPEPS contraction and optimization routines that operate on tensor representations while preserving symmetries during the simulations.

If this is right

  • Ground-state calculations become available for models with non-Abelian symmetries on two-dimensional lattices.
  • Real-time evolution of fermionic systems can be tracked without separate low-level implementations for each symmetry type.
  • Finite-temperature properties can be extracted for a range of lattice geometries using the same algorithmic framework.
  • Simulations of systems with mixed symmetries no longer require users to code contraction routines from scratch.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • The availability of these tools may shorten the time needed to explore candidate quantum phases in two-dimensional materials.
  • Direct comparisons with other numerical techniques on identical models could clarify accuracy limits for moderate bond dimensions.
  • Extensions to dynamical correlation functions or response properties would follow naturally from the existing time-evolution routines.

Load-bearing premise

The tensor computations and optimization routines remain numerically stable and correctly enforce the chosen symmetries without introducing errors that would distort the physical results.

What would settle it

A benchmark run on a square-lattice Heisenberg antiferromagnet that produces ground-state energies deviating beyond statistical error bars from established reference values would indicate a problem with the claimed capabilities.

Figures

Figures reproduced from arXiv: 2605.19960 by Gleb Fedorovich, Jutho Haegeman, Lander Burgelman, Lukas Devos, Paul Brehmer, Zheng-Yuan Yue.

Figure 1
Figure 1. Figure 1: Bond environment tensor for (a) the simple update scheme (which can be [PITH_FULL_IMAGE:figures/full_fig_p008_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: Truncation of internal virtual bonds (red) in the 3-site cluster regarded as [PITH_FULL_IMAGE:figures/full_fig_p009_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: Finite temperature x-magnetization 〈Sx 〉 and energy per site E of the trans￾verse field Ising model from Eq. (27) with J = 1/4 obtained using simple update with the same settings as the TeNeS simulations of Ref. 34. The Trotter evolution step is ∆β = 0.02 for the first 50 steps, 0.01 for the following 200 steps, and 0.1 for the final 10 steps. The bond dimensions are chosen in accordance with [34] at D = 1… view at source ↗
Figure 4
Figure 4. Figure 4: Energy of the J1 -J2 model at finite temperature for (a) J2/J1 = 0 and (b) J2/J1 = 0.5, obtained from simple update with SU(2) symmetry. The Trotter evolution step size is chosen at ∆β = 0.001. The bond dimensions are D ≈ 7 for the iPEPO, and χ = 21 for the CTMRG environment. HTSE labels the energy obtained from the high-temperature series expansion E = P n β n P m emn(J2/J1 ) m, where the coefficients emn… view at source ↗
Figure 5
Figure 5. Figure 5: Energies (a) and magnetizations (b) of the square lattice [PITH_FULL_IMAGE:figures/full_fig_p013_5.png] view at source ↗
Figure 6
Figure 6. Figure 6: Optimized energies as a function of inverse iPEPS bond dimension (cor [PITH_FULL_IMAGE:figures/full_fig_p016_6.png] view at source ↗
Figure 7
Figure 7. Figure 7: Planar projection of the magnetization in the Fermi-Hubbard model on the [PITH_FULL_IMAGE:figures/full_fig_p016_7.png] view at source ↗
Figure 8
Figure 8. Figure 8: Time (in seconds) per CTMRG iteration for contracting the ground state of [PITH_FULL_IMAGE:figures/full_fig_p017_8.png] view at source ↗
read the original abstract

We present PEPSKit.jl, a Julia package for simulating two-dimensional quantum many-body systems with infinite projected entangled-pair states (iPEPS). PEPSKit.jl builds on the TensorKit.jl package for tensor computations and provides high-level algorithms for iPEPS simulations that support both Abelian and non-Abelian symmetries, as well as fermionic systems. This work gives an overview of the main package features, which include support for ground-state, time-evolution, and finite-temperature simulations in systems with different physical symmetries and lattice geometries. These capabilities are illustrated through various examples and technical benchmarks.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

2 major / 0 minor

Summary. The paper presents PEPSKit.jl, a Julia package for simulating two-dimensional quantum many-body systems with infinite projected entangled-pair states (iPEPS). It builds on TensorKit.jl for tensor computations and provides high-level algorithms supporting Abelian and non-Abelian symmetries as well as fermionic systems. The package enables ground-state, time-evolution, and finite-temperature simulations across different physical symmetries and lattice geometries, with capabilities illustrated through examples and technical benchmarks.

Significance. If the package implements the described functionality correctly, it would offer a valuable addition to the tensor-network toolkit in condensed-matter physics by providing symmetry-aware iPEPS simulations in the Julia language. The high-level interface and support for non-Abelian and fermionic cases address practical needs in the community and could improve accessibility and reproducibility of such simulations.

major comments (2)
  1. Technical Benchmarks section: the manuscript refers to technical benchmarks but supplies no quantitative validation data, error analysis, convergence metrics, or comparisons against known results or other codes; this is load-bearing for substantiating the claimed numerical stability and performance for non-Abelian symmetries and fermionic systems.
  2. Examples section: the provided examples illustrate usage for ground-state and time-evolution tasks but omit explicit checks such as energy convergence with bond dimension or agreement with exact diagonalization on small clusters, which is needed to confirm correctness of the newly implemented contraction and optimization routines.

Simulated Author's Rebuttal

2 responses · 0 unresolved

We thank the referee for their positive evaluation of the manuscript and for the constructive comments on the benchmarks and examples sections. We address each point below and have revised the manuscript to incorporate additional quantitative data and validation checks.

read point-by-point responses
  1. Referee: Technical Benchmarks section: the manuscript refers to technical benchmarks but supplies no quantitative validation data, error analysis, convergence metrics, or comparisons against known results or other codes; this is load-bearing for substantiating the claimed numerical stability and performance for non-Abelian symmetries and fermionic systems.

    Authors: We agree that more detailed quantitative validation is necessary to fully substantiate the claims regarding numerical stability and performance, particularly for the non-Abelian and fermionic cases. In the revised manuscript we have expanded the Technical Benchmarks section with explicit convergence metrics, error analyses, and direct comparisons against known analytical results as well as outputs from established codes for both symmetry sectors. revision: yes

  2. Referee: Examples section: the provided examples illustrate usage for ground-state and time-evolution tasks but omit explicit checks such as energy convergence with bond dimension or agreement with exact diagonalization on small clusters, which is needed to confirm correctness of the newly implemented contraction and optimization routines.

    Authors: We appreciate the referee highlighting the value of these explicit validation checks. The revised Examples section now includes energy convergence plots versus bond dimension for the ground-state and time-evolution cases, together with direct comparisons to exact diagonalization results on small clusters, thereby confirming the correctness of the contraction and optimization routines. revision: yes

Circularity Check

0 steps flagged

No significant circularity in software package description

full rationale

This is a software-package description paper rather than a theoretical derivation. The central claims concern the implementation of iPEPS algorithms with symmetry and fermionic support in PEPSKit.jl, illustrated via examples and benchmarks. No equations, predictions, or first-principles results are presented that could reduce to inputs by construction. There are no self-definitional steps, fitted parameters renamed as predictions, or load-bearing self-citations invoking uniqueness theorems. The manuscript is self-contained; functionality is externally verifiable through the released code and independent benchmarks, yielding no circularity.

Axiom & Free-Parameter Ledger

0 free parameters · 2 axioms · 0 invented entities

The package depends on the correctness and performance of the external TensorKit.jl library and on standard assumptions about tensor-network contraction and optimization algorithms; no new physical entities or free parameters are introduced.

axioms (2)
  • domain assumption TensorKit.jl correctly implements tensor operations and symmetry handling for Abelian and non-Abelian groups.
    The package is explicitly built on TensorKit.jl for all tensor computations.
  • domain assumption Standard iPEPS contraction and optimization algorithms remain numerically stable when extended to the supported symmetries and fermionic statistics.
    The abstract presents these extensions as working features without additional qualification.

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