Preserving spin symmetry in variational quantum algorithms is essential for producing physically meaningful electronic wavefunctions. Implementing spin-adapted transformations on quantum hardware, however, is challenging because the corresponding fermionic generators translate into noncommuting Pauli operators. In this work, we introduce an exact and computationally efficient factorization of spin-adapted unitaries derived from fermionic double excitation and deexcitation rotations. These unitaries are expressed as ordered products of exponentials of Pauli operators. Our method exploits the fact that the elementary operators in these generators form small Lie algebras. By working in the adjoint representation of these algebras, we reformulate the factorization problem as a low-dimensional nonlinear optimization over matrix exponentials. This approach enables precise numerical reparametrization of the unitaries without relying on symbolic manipulations. The proposed factorization provides a practical strategy for constructing symmetry-conserving quantum circuits within variational algorithms. It preserves spin symmetry by design, reduces implementation cost, and ensures the accurate representation of electronic states in quantum simulations of molecular systems.
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-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-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)-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-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.
Preserving spin symmetry in variational quantum algorithms is essential for producing physically meaningful electronic wave functions. Implementing spin-adapted transformations on quantum hardware, however, is challenging because the corresponding fermionic generators translate into noncommuting Pauli operators. In this study, we introduce an exact and computationally efficient factorization of spin-adapted unitaries derived from fermionic double excitation and deexcitation rotations. These unitaries are expressed as ordered products of exponentials of Pauli operators. Our method exploits the fact that the elementary operators in these generators form small Lie algebras. By working in the adjoint representation of these algebras, we reformulate the factorization problem as a low-dimensional nonlinear optimization over matrix exponentials. This approach enables precise numerical reparametrization of the unitaries without relying on symbolic manipulations. The proposed factorization provides a practical strategy for constructing symmetry-conserving quantum circuits within variational algorithms. It preserves spin symmetry by design, reduces implementation cost, and ensures the accurate representation of electronic states in quantum simulations of molecular systems.
Unitary transformations play a fundamental role in many-body physics, and except for special cases, they are not expressible in closed form. We present closed-form expressions for unitary transformations generated by a single fermionic operator for Hermitian and anti-Hermitian generators. We demonstrate the usefulness of these expressions in formal analyses of unitary transformations and numerical applications to Hamiltonian downfolding in quantum computing and Heisenberg dynamics. This work paves the way for new analytical treatments of unitary transformations and numerical many-body methods for fermions.
Classical simulability is ultimately determined by both the dynamics of a quantum system and the observables being evaluated. Lie-algebraic simulation exploits the latter to make exact polynomial-time classical simulations by propagating observables through low-dimensional invariant operator spaces. However, its conventional formulation in terms of polynomial-dimensional dynamical Lie algebras does not directly accommodate bosonic systems as their algebras are neither compact nor semisimple. In this contribution, we overcome this limitation, making bosonic systems accessible to the Lie-algebraic programme of exact polynomial-time classical simulation. We prove that expectation values, fixed-order correlation functions, including multi-time correlators and out-of-time-ordered correlators, and gradients are efficiently computable whenever their operator modules have polynomial dimension. This recovers Gaussian quantum optics and extends it to non-Gaussian input states, while identifying exact polynomial regimes of interacting non-Gaussian dynamics including bounded-photon Kerr and pair-hopping Hamiltonians and nilpotent polynomial phase dynamics. We show that unlike in the finite-dimensional spin and fermionic setting treated previously, a finite-dimensional bosonic generator algebra alone does not guarantee finite observable dynamics. We further derive a controlled perturbative hierarchy for squeezing beyond exact sector confinement and confirm the predicted error orders numerically. We also evaluate operator spreading on interacting chains of up to
400 modes and connect a topological doublon band with flux-reversed edge motion. These results provide a unified formalism for classifying, discovering, and systematically approximating tractable bosonic quantum dynamics with classical polynomial-time simulation.
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.