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arXiv:2408.00081

Full classification of Pauli Lie algebras

Aguilar, Gerard, Simon Cichy, Jens Eisert, Lennart Bittel

Published Jul 31, 2024• 1 citation
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Abstract

Lie groups, and therefore Lie algebras, are fundamental structures in quantum physics that determine the space of possible trajectories of evolving systems. However, classification and characterization methods for these structures are often impractical for larger systems. In this work, we provide a comprehensive classification of Lie algebras generated by an arbitrary set of Pauli operators, from which an efficient method to characterize them follows. By mapping the problem to a graph setting, we identify a reduced set of equivalence classes: the free-fermionic Lie algebra, the set of all anti-symmetric Paulis on n qubits, the Lie algebra of symplectic Paulis on n qubits, and the space of all Pauli operators on n qubits, as well as controlled versions thereof. Moreover, out of these, we distinguish 6 Clifford inequivalent cases and find a simple set of canonical operators for each, which allow us to give a physical interpretation of the dynamics of each class. Our findings reveal a no-go result for the existence of small Lie algebras beyond the free-fermionic case in the Pauli setting and offer efficiently computable criteria for universality and extendibility of gate sets. These results bear significant impact in ideas in a number of fields like quantum control, quantum machine learning, or classical simulation of quantum circuits.

DOI
10.48550/arxiv.2408.00081

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Lie groups, and therefore Lie algebras, are fundamental structures in quantum physics that determine the space of possible trajectories of evolving systems. However, classification and characterization methods for these structures are often impractical for larger systems. In this work, we provide a comprehensive classification of Lie algebras generated by an arbitrary set of Pauli operators, from which an efficient method to characterize them follows. By mapping the problem to a graph setting, we identify a reduced set of equivalence classes: the free-fermionic Lie algebra, the set of all anti-symmetric Paulis on n qubits, the Lie algebra of symplectic Paulis on n qubits, and the space of all Pauli operators on n qubits, as well as controlled versions thereof. Moreover, out of these, we distinguish 6 Clifford inequivalent cases and find a simple set of canonical operators for each, which allow us to give a physical interpretation of the dynamics of each class. Our findings reveal a no-go result for the existence of small Lie algebras beyond the free-fermionic case in the Pauli setting and offer efficiently computable criteria for universality and extendibility of gate sets. These results bear significant impact in ideas in a number of fields like quantum control, quantum machine learning, or classical simulation of quantum circuits.
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.
We study the set of nnn-qubit pure quantum states. Specifically, we consider their incarnation as density matrices in Bloch representation. Building on prior work, we define a family of quadratic functions in Pauli expectation values, and fully characterise all instances that result in state-independent purity constraints. The resulting family of pure-state invariants is surprisingly rich in structure, with strong ties to the geometry of symplectic polar spaces. After charting the general landscape, we define a sub-family of pure-state invariants that satisfies the dynamical constraint of being stable under state update. We prove that it corresponds with (different embeddings of) symplectic Lie algebras sp(2n−1)⊂su(2n)\mathfrak{sp}(2^{n-1})\subset\mathfrak{su}(2^n)sp(2n−1)⊂su(2n), which admit a generating set of Pauli operators. We carefully distinguish the symplectic case from its orthogonal counterpart, using the Arf invariant of quadratic refinements of the symplectic form on the projective Pauli group, which we further identify with quaternionic structures on C2n\mathbb{C}^{2^n}C2n that are both generated by and restricted to Pauli operators. As a consequence of this analysis, we reveal previously largely overlooked structure in the nnn-qubit Pauli group. We highlight this in a number of examples. We characterise all state-independent uncertainty relations in variance for Pauli observables, as well as all Pauli channels for which the output fidelity and output purity are state-independent. We further show that the orbits of the projective stabiliser groups of pure-state invariants, which for n≥2n\geq2n≥2 are proper subgroups of the Clifford group, form complex projective state 222-designs, while their unitary lifts form symplectic 222-designs.
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.
Fermionic Gaussian operators are foundational tools in quantum many-body theory, numerical simulation of fermionic dynamics, and fermionic linear optics. While their structure is fully determined by two-point correlations, evaluating their matrix elements in arbitrary local spin bases remains a nontrivial task, especially in applications involving quantum measurements, tomography, and basis-rotated simulations. In this work, we derive a fully explicit and general Pfaffian formula for the matrix elements of fermionic Gaussian operators between arbitrary Pauli product states. Our approach introduces a pair of sign-encoding matrices whose classification leads to a Lie algebra isomorphic to so(2L)\mathfrak{so}(2L)so(2L). This algebraic structure not only guarantees consistency of the Pfaffian signs but also reveals deep connections to Clifford algebras. The resulting framework enables scalable computations across diverse fields -- from quantum tomography and entanglement dynamics to algebraic structure in fermionic circuits and matchgate computation. Beyond its practical utility, our construction sheds light on the internal symmetries of Gaussian operators and offers a new lens through which to explore their role in quantum information and computational models.
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.
Exactly solvable Hamiltonians that can be diagonalized by using relatively simple unitary transformations are of great use in quantum computing. They can be employed for the decomposition of interacting Hamiltonians either in Trotter-Suzuki approximations of the evolution operator for the quantum phase estimation algorithm or in the quantum measurement problem for the variational quantum eigensolver. One of the typical forms of exactly solvable Hamiltonians is a linear combination of operators forming a modestly sized Lie algebra. Very frequently, such linear combinations represent noninteracting Hamiltonians and thus are of limited interest for describing interacting cases. Here, we propose an extension in which the coefficients in these combinations are substituted by polynomials of the Lie algebra symmetries. This substitution results in a more general class of solvable Hamiltonians, and for qubit algebras, it is related to the recently proposed noncontextual Pauli Hamiltonians. In fermionic problems, this substitution leads to Hamiltonians with eigenstates that are single Slater determinants but with different sets of single-particle states for different eigenstates. The new class of solvable Hamiltonians can be measured efficiently using quantum circuits with gates that depend on the result of a midcircuit measurement of the symmetries.