It is demonstrated that this problem can be effectively amortized across an arbitrary and universal set of Hamiltonians by a foundation model with $\sim0.5$B variational parameters, trained with contemporary techniques from large language models and deep reinforcement learning.
Abstract
A central promise of useful quantum advantage is the ability to compute ground states of Hamiltonian systems beyond the reach of classical simulation methods. Here we demonstrate that this problem can be effectively amortized across an arbitrary and universal set of Hamiltonians by a foundation model with $\sim0.5$B variational parameters, trained with contemporary techniques from large language models and deep reinforcement learning. To do this, we formulate $\text{spin-}1/2$ quantum ground-state learning as manifold variational optimisation over centrally odd scalar functions on $\mathrm{SU}(2)^N$. This replaces explicit Hilbert-space vector amplitudes with manifold functions on which the Hamiltonian acts through Lie derivatives, evaluated by custom automatic differentiation primitives. We prove that the resulting variational principle on this manifold preserves the $\text{spin-}1/2$ sector's ground-state upper bound using the Peter-Weyl theorem and justify the choice of such a representation with a no-go theorem for pure state foundation NQS. We then pre-train our foundation model on a dataset of hundreds of thousands of different Hamiltonian systems, varying the connection topology, system size, interaction types and strengths, bringing together a century of many-body literature. Using a novel $\mathrm{SU}(2)$ replica-exchange Langevin sampler and sharded natural-gradient optimisation, we train our model with our own extension of the Kronecker-Factored Approximate Curvature (KFAC) optimiser on system sizes up to 64 qubits. On a held-out generalisation dataset, we fine-tune our model on system sizes of up to 1024 qubits, and evaluate on systems up to 8100 qubits.
Foundation models for ground states in spin-1/2 systems are a promising method for problems ranging from quantum chemistry to identifying new phase diagrams. Nearly all such models are currently pure-states that condition on the Hamiltonian's parameters, whose Monte Carlo samples give energy estimates according to the variational principle. In this contribution, we show that this representation is topologically obstructed. For any gapped Hamiltonian family whose ground-state bundle is non-trivial, every continuous normalized state-vector model has zero fidelity with the ground state at some parameter value in the Hamiltonian family. For that value, the energy is at least one spectral gap, $\Delta$, with an $O(\Delta)$ gap in an open-neighbourhood of that point. We show that this is a sufficient no-go also in the case of degenerate ground-state manifolds, time dynamics, and periodic systems with mixed space-time topology, demonstrating these obstructions on one- and two-qubit systems. We discuss how this causes a spike in the fidelity susceptibility, giving a numerical signature of a phase-transition where there is none. We then show that operator-valued models canonically avoid these obstructions and preserve topological information, implying a structural necessity in representation for foundation neural quantum states.
Timothy Heightman, Elena Orlova, Philip Mantrov et al.· 0 citations
Quantum algorithms based on linear-system approaches for solving differential equations demand qubit and precision resources beyond near-term capabilities. To address these challenges, this work proposes a physics-informed quantum machine learning (PIQML) framework with hard constraint embedding, specifically designed for NISQ era. Within this framework, parameterized quantum circuits serve as machine learning models, where the input variable is encoded into a high-dimensional feature space via a Fourier feature map. Subsequently, to eliminate approximation errors in critical physical conditions, the solution is constructed through a rigorously designed function mapper that analytically enforces initial conditions as hard constraints. Crucially, we compute derivatives with respect to the input variable using the parameter-shift rule---a quantum native gradient evaluation technique that avoids classical discretization. Unlike generic loss functions that target abstract data patterns, our loss function focuses on the differential equation residual and reference data. This design ensures that the trained model not only approximates the data but also intrinsically satisfies the physical constraint expressed by the DE itself. Our method is validated on several differential equations, including highly oscillatory ones, demonstrating its capability to tackle challenging nonlinear dynamics. Results demonstrate that our quantum model successfully learns the solution, showing close agreement with a high-precision classical numerical benchmark.
This work introduces Matrix Product Evolution (MPE), a tensor-train representation of quantum circuits constructed along the circuit depth rather than along the qubit index, and develops an efficient contraction strategy based on a zip-up procedure to carry out this contraction in practice.
Haruyuki Kawabe, Minoru Nagai, Tsuyoshi Okubo et al.· 0 citations
Projected entangled pair states (PEPS) provide an efficient variational ansatz for two-dimensional quantum phases, but computing observables remains challenging because PEPS contraction is generally costly. Here, we parameterize two-dimensional quantum states using variational PEPS subject to isometric constraints and map the resulting ansatz onto monitored quantum circuits, replacing tensor-network contraction with circuit sampling. For infinite cylinders, the transfer matrix defines a quantum channel on the virtual boundary. We use a fixed-point treatment and a monitored-circuit unraveling of this channel to evaluate observables efficiently. Using a constant number of variational parameters and a number of qubits that scales only with the cylinder width, our method yields a phase diagram for the $J_1$-$J_2$ model in qualitative agreement with DMRG results. Because the monitored circuits are compatible with near-term quantum hardware, this approach provides a hybrid quantum-classical framework for simulating two-dimensional quantum many-body systems.
Yu-Qing Rong, Huanhai Zhou, Guo-Yi Zhu et al.· 0 citations
Deep parameterized quantum circuits may remain sensitive to a parameter change while the observables retained by a learning model barely respond. We study this separation for a fixed computational-basis measurement. For a pure-state tangent, we compare the quantum Fisher information $F_Q$, the Fisher information $F_{\rm full}$ in the complete bitstring distribution, and the largest variance-normalized response $\mathcal I_{\mathcal A}$ available to a diagonal readout space $\mathcal A$. If the joint state--tangent frame is Haar random, we prove that the two successive information fractions are independent Beta variables whose means are $1/2$ and $r/(2^n-1)$, where $r$ is the centered dimension of the readout. Consequently, even the joint span of all computational-basis Pauli strings through any fixed weight $k$ retain only $O(n^k2^{-n})$ of the full-record information. Exact-statevector experiments across six circuit families show increasing finite-size agreement with this hierarchy in five nonconserving ensembles as the circuit depth grows. A number-conserving family departs strongly from the isotropic prediction even after correcting the support and readout rank, showing that rank alone is insufficient without tangent isotropy.
We develop a sparse operator-centric realization of $n$-qubit variational quantum algorithms in the complex Clifford algebra $\mathrm{Cl}(2n,\mathbb{C}) \cong M(2^n,\mathbb{C})$. Density operators, gates, observables, channels, fermionic modes, and adaptive-selection observables are represented in one Pauli-word algebra, with the Jordan--Wigner map providing the exact bridge to anticommuting Clifford generators. We distinguish general Pauli-word rotations from Spin-group rotors and formulate the familiar odd-$Y$ restriction for real-state adaptive ansatzes as an exact transpose-parity statement: for real Hamiltonians and real states, every candidate Pauli word containing an even number of $Y$ factors has zero ADAPT gradient, while odd-$Y$ rotations preserve the real sector. For the critical open transverse-field Ising chain, a depth-three Hamiltonian variational ansatz gives relative energy errors $4.84\times10^{-5}$, $2.19\times10^{-3}$, and $3.67\times10^{-3}$ for $n=4,5,6$. A compact local ADAPT pool is exact at $n=4$ but leaves residual errors at larger sizes; a systematic contiguous three-local odd-$Y$ pool reaches relative errors below $1.3\times10^{-12}$ for $n\leq6$. In 100-seed finite-shot tests at $n=4$, fixed-shot selection succeeds in $0/100$ runs, whereas uniform escalation and confidence-bound racing each succeed in $84/100$ runs; racing lowers median shots by $34\%$. We claim no asymptotic speedup over matrix methods. The contribution is a corrected algebraic formulation, a density-operator derivation and implementation of the real-sector pool filter, and a reproducible study of measurement-limited adaptive selection.
Ginanjar Utama, H. Dipojono· 1 citation
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