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arXiv:2608.30771

PauLie: Fast Classification of Pauli Dynamical Lie Algebras

Oxana Shaya, Konstantin Golovkin, Mainak Roy, Vincent Russo

quant-phSubmitted Aug 31, 2026• Announced Sep 1, 2026• 0 citations
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Abstract

The dynamical Lie algebra (DLA) governs the controllability, expressibility, and simulation complexity of a quantum system. Explicitly computing it has been a major computational bottleneck: brute-force Lie closure scales exponentially in the number of qubits $n$. Many applications, however, consult only the isomorphism type of the DLA. We introduce PauLie, an open-source framework that decides this isomorphism type for DLAs generated by arbitrary Pauli strings, building on the anticommutation-graph reduction of Aguilar et al. PauLie runs in $O(n|\mathcal{G}|\max(n,|\mathcal{G}|))$ time, where $|\mathcal{G}|$ is the number of generators, turning DLA classification into a routine preprocessing step. We demonstrate its use as a structural oracle for routing Lie-algebraic simulation and Cartan decomposition, diagnosing barren plateaus in variational quantum algorithms, and engineering universal Pauli string generator sets with optimal generation rate.

Comments
Accepted at the 2026 IEEE International Conference on Quantum Computing and Engineering (QCE)

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The dynamical Lie algebra (DLA) governs the controllability, expressibility, and simulation complexity of a quantum system. Explicitly computing it has been a major computational bottleneck: brute-force Lie closure scales exponentially in the number of qubits nnn. Many applications, however, consult only the isomorphism type of the DLA. We introduce PauLie, an open-source framework that decides this isomorphism type for DLAs generated by arbitrary Pauli strings, building on the anticommutation-graph reduction of Aguilar et al. PauLie runs in O(n∣G∣max⁡(n,∣G∣))O(n|\mathcal{G}|\max(n,|\mathcal{G}|))O(n∣G∣max(n,∣G∣)) time, where ∣G∣|\mathcal{G}|∣G∣ is the number of generators, turning DLA classification into a routine preprocessing step. We demonstrate its use as a structural oracle for routing Lie-algebraic simulation and Cartan decomposition, diagnosing barren plateaus in variational quantum algorithms, and engineering universal Pauli string generator sets with optimal generation rate.
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Dynamical Lie algebras generated by Pauli strings and quadratic spaces over F2\mathbb{F}_2F2​
Dynamical Lie algebras, i.e. Lie subalgebras of su(2n)\mathfrak{su}(2^n)su(2n), generated by Pauli strings have recently been studied intensively. They are also called Pauli Lie algebras or Hamiltonian Lie algebras. In this paper we provide a uniform mathematical approach to various recent results on Pauli Lie algebras. Moreover, we present an algorithm that on input of a set of Pauli strings determines the isomorphism type of the dynamical Lie algebra generated by these Pauli's in time O(max⁡(n,m)3)\mathcal{O}(\max(n,m)^3)O(max(n,m)3) where mmm is the size of the generating set.
Determining the unitary dynamics accessible from finite Hamiltonian resources is a central problem in Hamiltonian engineering and quantum control. Dynamical Lie algebras (DLAs) connect available control Hamiltonians with the reachable dynamics, but their use as a design tool for modifying Hamiltonian generator sets remains less developed. In this work, we develop a finite-dimensional DLA framework for three generator-set operations: composition, invariance, and reduction. For composition, we construct direct sums of component DLAs using spectral projectors on an auxiliary register. For invariance, we analyze when modifications of Pauli-string generating sets preserve the generated Lie algebra, and introduce algebraic diagnostics for added generators. For reduction, we consider compact reductive DLAs and show how projection onto selected simple ideals gives reduced generating sets whose Lie closures are the corresponding ideal sums. We illustrate these results with finite-dimensional examples and numerical checks, including direct-sum dimension addition, central-spin invariance diagnostics, and DLA-based ansatz reduction for block-local Hamiltonians. The results show how DLA structure can be used to diagnose controllability and guide Hamiltonian generator design under explicit algebraic assumptions.
Efficient classical simulation has matured to a critical component of the quantum computing stack, driving hardware validation, algorithm design, benchmarking, and the study of structured quantum dynamics. Lie-algebraic simulation (g\mathfrak{g}g-sim) offers a compelling approach: it represents Heisenberg-picture dynamics in the adjoint space whose dimension is set by the dynamical Lie algebra (DLA) governing the circuit, enabling efficient simulation of expectation values whenever the DLA grows only polynomially with system size. Despite this promise, existing applications of g\mathfrak{g}g-sim have been confined to free-fermionic settings. It has therefore remained unclear if the method can be applied to other structured circuit families, especially when their generators have large Pauli expansions, and hence whether Lie-algebraic simulability presents a genuinely broader paradigm than free fermions. In this work, we resolve this question by identifying additional non-trivial families of polynomial-dimensional DLAs and introducing symmetry-adapted bases that make the required adjoint-space preprocessing tractable. In particular, we develop an explicit Pauli orbit representation for permutation-equivariant dynamics, enabling efficient processing of cubic-dimensional algebras despite exponential Pauli support, and a modified generalized Gell--Mann representation for bounded Hamming-weight (U(1)U(1)U(1)-equivariant) dynamics, yielding polynomial simulation costs on fixed excitation sectors. Together with streamlined routines for free-fermionic algebras, these constructions significantly broaden the practical scope of g\mathfrak{g}g-sim as a unifying simulation tool for structured quantum circuits. Numerical benchmarks confirm favorable preprocessing scaling and validate large-scale proof-of-concept simulations beyond the reach of state-vector simulation.
Understanding the dynamical properties of quantum systems is an essential task in quantum computing, quantum control, and many-body physics. Tools such as representation theory and Lie theory provide crucial information on reachability and computational power. However, this information can be difficult to access exactly or compute efficiently for arbitrary generating sets. Here we focus on the setting of Pauli strings, which satisfy numerous exceptional properties that simplify the problem. We find deep connections between Pauli Lie algebras and certain subgroups of the Clifford group generated by transvections, through the symplectic properties of the Pauli strings. This allows us to give an invariant-based perspective on these objects and their reachability, in the language of Pauli orbits, symmetries, and invariant subspaces. The invariant-based approach provides efficient algorithms for identifying Lie algebras and orbits, as well as a simple framework for analyzing structured Pauli generating sets. We also show in an elementary way that Clifford subgroups generated by transvections provide 3-designs for the corresponding Pauli Lie groups. We illustrate the framework through structured examples from variational quantum algorithms, restricted quantum computation, many-body systems, and random circuits.
Dynamical Lie algebras (DLAs) have emerged as a valuable tool in the study of parameterized quantum circuits, helping to characterize both their expressiveness and trainability. In particular, the absence or presence of barren plateaus (BPs) – flat regions in parameter space that prevent the efficient training of variational quantum algorithms – has recently been shown to be intimately related to quantities derived from the associated DLA.In this work, we investigate DLAs for the quantum approximate optimization algorithm (QAOA), one of the most studied variational quantum algorithms for solving graph MaxCut and other combinatorial optimization problems. While DLAs for QAOA circuits have been studied before, existing results have either been based on numerical evidence, or else correspond to DLA generators specifically chosen to be universal for quantum computation on a subspace of states. We initiate an analytical study of barren plateaus and other statistics of QAOA algorithms, and give bounds on the dimensions of the corresponding DLAs and their centers for general graphs. We then focus on the n -vertex cycle and complete graphs. For the cycle graph we give an explicit basis, identify its decomposition into the direct sum of a 2 -dimensional center and a semisimple component isomorphic to n − 1 copies of s u ( 2 ) . We give an explicit basis for this isomorphism, and a closed-form expression for the variance of the cost function, proving the absence of BPs. For the complete graph we prove that the dimension of the DLA is O ( n 3 ) and give an explicit basis for the DLA.