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arXiv:2506.16646 · Physical Review A

Rigorous maximum-likelihood estimation for quantum states

K. Aditi, Stephen Becker

Published Nov 19, 2025• 0 citations
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Abstract

Existing quantum state tomography methods are limited in scalability due to their high computation and memory demands, making them impractical for the recovery of large quantum states. In this work, we address these limitations by reformulating the maximum likelihood estimation problem using the Burer--Monteiro factorization, resulting in a nonconvex but low-rank parametrization of the density matrix. We derive a fully unconstrained formulation by analytically eliminating the trace-one and positive-semidefinite constraints, thereby avoiding the need for projection steps during optimization. Furthermore, we determine the Lagrange multiplier associated with the unit-trace constraint a priori, reducing computational overhead. The resulting formulation is amenable to scalable first-order optimization, and we demonstrate its tractability using the limited-memory Broyden-Fletcher-Goldfarb-Shanno method. Importantly, we also propose a low-memory version of the above algorithm to fully recover certain large quantum states with Pauli-based positive-operator-value measurements. Our low-memory algorithm avoids explicitly forming any density matrix, and does not require the density matrix to have a matrix product state or other tensor structure. For a fixed number of measurements and fixed rank, our algorithm requires just $O(d{log}_{2}d)$ complexity per iteration to recover a $d\ifmmode\times\else\texttimes\fi{}d$ density matrix. Additionally, we derive a useful error bound that can be used to give a rigorous termination criterion. We numerically demonstrate that our method is competitive with state-of-the-art algorithms for moderately sized problems, and then demonstrate that our method can solve a 20-qubit problem on a laptop in under 5 hours.

DOI
10.1103/j5gh-hmtw

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Maximum likelihood estimation is one of the most used methods in quantum state tomography, where the aim is to reconstruct the density matrix of a physical system from measurement results. One strategy to deal with positivity and unit trace constraints is to parameterize the matrix to be reconstructed in order to ensure that it is physical. In this case, the negative log-likelihood function in terms of the parameters, may have several local minima. In various papers in the field, a source of errors in this process has been associated to the possibility that most of these local minima are not global, so that optimization methods could be trapped in the wrong minimum, leading to a wrong density matrix. Here we show that, for convex negative log-likelihood functions, all local minima of the unconstrained parameterized problem are global, thus any minimizer leads to the maximum likelihood estimation for the density matrix. We also discuss some practical sources of errors.
Quantum state tomography is a fundamental technique for estimating the state of a quantum system from measured data and plays a crucial role in evaluating the performance of quantum devices. However, standard estimation methods become computationally prohibitive as the system size increases due to the exponential growth of the density matrix, describing a quantum state, with the number of qubits. We propose a low-rank tensor-network framework for mixed-state quantum state tomography based on a block tensor train (Block-TT) factorization. Specifically, the density matrix is represented as the contraction of a Block-TT with its Hermitian transpose, yielding a TT analogue of the Burer-Monteiro factorization. This parameterization guarantees Hermiticity and positive semidefiniteness by construction while compressing the number of optimization variables from exponential to linear in the number of qubits. Building on this representation, we develop single-site and two-site density matrix renormalization group (DMRG) algorithms for estimating quantum states from compressed measurements. The resulting methods operate directly on the compressed parameterization, support adaptive rank refinement, and exploit efficient tensor-network contractions for expectation-value evaluation. The framework is applicable to a broad class of low-rank quantum states, including pure states, nearly pure states, and ground states that admit accurate tensor-network approximations. Numerical experiments demonstrate accurate state reconstruction from limited measurements together with substantial reductions in memory requirements and computational cost compared with conventional low-rank tomography methods.
Maximum likelihood estimation is one of the most used methods in quantum state tomography, where the aim is to reconstruct the density matrix of a physical system from measurement results. One strategy to deal with positivity and unit trace constraints is to parameterize the matrix to be reconstructed in order to ensure that it is physical. In this case, the negative log-likelihood function in terms of the parameters, may have several local minima. In various papers in the field, a source of errors in this process has been associated to the possibility that most of these local minima are not global, so that optimization methods could be trapped in the wrong minimum, leading to a wrong density matrix. Here we show that, for convex negative log-likelihood functions, all local minima of the unconstrained parameterized problem are global, thus any minimizer leads to the maximum likelihood estimation for the density matrix. We also discuss some practical sources of errors.
Maximum likelihood estimation is one of the most used methods in quantum state tomography, where the aim is to reconstruct the density matrix of a physical system from measurement results. One strategy to deal with positivity and unit trace constraints is to parameterize the matrix to be reconstructed in order to ensure that it is physical. In this case, the negative log-likelihood function in terms of the parameters, may have several local minima. In various papers in the field, a source of errors in this process has been associated to the possibility that most of these local minima are not global, so that optimization methods could be trapped in the wrong minimum, leading to a wrong density matrix. Here we show that, for convex negative log-likelihood functions, all local minima of the unconstrained parameterized problem are global, thus any minimizer leads to the maximum likelihood estimation for the density matrix. We also discuss some practical sources of errors.
Quantum state tomography estimates an unknown density operator from measurement data. Dense reconstruction however, can be impractical for many-qubit systems because the Hilbert-space dimension grows exponentially. This contribution develops a rank-adaptive matrix-free approach to low-rank quantum state tomography based on rank-one atomic coordinates. The density operator is represented as a convex combination of pure-state atoms, which preserves positivity and unit trace while avoiding dense density, measurement, and gradient matrices. The resultant algorithm combines atom updates, simplex-constrained coefficient reweighting, and periodic spectral refactorization using only predicted probability vectors, atom vectors, and descriptor-level measurement actions. These computations decompose across measurement outcomes, and admit a master--worker implementation with the measurements partitioned across workers. A rank penalty adapts the representation size during optimization. Provable feasibility, prediction consistency, monotone descent of the penalized objective, and an exact spectral proximal characterization of the refactorization step are established. Simulations with Pauli measurements show favorable accuracy--runtime--memory tradeoffs relative to competing alternatives.