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 Information and ComputationSep 1, 20124 citations

Local solutions of Maximum Likelihood Estimation in Quantum State Tomography

Douglas Soares Gonçalves, Márcia A. Gomes-Ruggiero, Carlile Lavor +2 more

arXiv:1103.3682Mar 18, 20110 citations

Rigorous maximum-likelihood estimation for quantum states

K. Aditi, Stephen Becker

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.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.

arXiv:2506.16646Physical Review ANov 19, 20250 citations

Reconstruction of quantum states by applying an analytical optimization model

Rohit Prasad, Pratyay Ghosh, Ronny Thomale +1 more

When working with quantum states, analysis of the final quantum state generated through probabilistic measurements is essential. This analysis is typically conducted by constructing the density matrix from either partial or full tomography measurements of the quantum state. While full tomography measurement offers the most accurate reconstruction of the density matrix, limited measurements pose challenges for reconstruction algorithms, often resulting in nonphysical density matrices with negative eigenvalues. This is often remedied using maximum likelihood estimators, which have a high computing time or by other estimation methods that decrease the reconstructed fidelity. In this paper, we show that when restricting the measurement sample size, improvement over existing algorithms can be achieved. Our findings underline the multiplicity of solutions in the reconstruction problem, depending upon the generated state and measurement model utilized, thus motivating further research towards identifying optimal algorithms tailored to specific experimental contexts.When working with quantum states, analysis of the final quantum state generated through probabilistic measurements is essential. This analysis is typically conducted by constructing the density matrix from either partial or full tomography measurements of the quantum state. While full tomography measurement offers the most accurate reconstruction of the density matrix, limited measurements pose challenges for reconstruction algorithms, often resulting in nonphysical density matrices with negative eigenvalues. This is often remedied using maximum likelihood estimators, which have a high computing time or by other estimation methods that decrease the reconstructed fidelity. In this paper, we show that when restricting the measurement sample size, improvement over existing algorithms can be achieved. Our findings underline the multiplicity of solutions in the reconstruction problem, depending upon the generated state and measurement model utilized, thus motivating further research towards identifying optimal algorithms tailored to specific experimental contexts.

Physical Review AFeb 3, 20251 citation

On spurious fixed points in iterative maximum likelihood reconstruction for quantum tomography

Florian Oberender

Maximum likelihood iteration is one of the most commonly used reconstruction algorithms in quantum tomography. The main appeal of the method is that it is easy to implement and that it converges reliably to a physically meaningful density matrix in practice. Contradicting these practical observations, we will show that convergence to a true solution is not guaranteed in general by constructing examples for spurious fixed points. To deal with this newly found problem, we then provide a criterion based on first order optimality conditions to check if the result of the algorithm is indeed the desired solution. Furthermore, we generalize the algorithm and show that it is equivalent to factorized gradient descent.Maximum likelihood iteration is one of the most commonly used reconstruction algorithms in quantum tomography. The main appeal of the method is that it is easy to implement and that it converges reliably to a physically meaningful density matrix in practice. Contradicting these practical observations, we will show that convergence to a true solution is not guaranteed in general by constructing examples for spurious fixed points. To deal with this newly found problem, we then provide a criterion based on first order optimality conditions to check if the result of the algorithm is indeed the desired solution. Furthermore, we generalize the algorithm and show that it is equivalent to factorized gradient descent.

arXiv:2508.14549Aug 20, 20250 citations

Maximum-likelihood-estimate Hamiltonian learning via efficient and robust quantum likelihood gradient

Tian-Lun Zhao, Shi-Xin Hu, Yi Zhang

Given the recent developments in quantum techniques, modeling the physical Hamiltonian of a target quantum many-body system is becoming an increasingly practical and vital research direction. Here, we propose an efficient strategy combining maximum-likelihood estimation, gradient descent, and quantum many-body algorithms. Given the measurement outcomes, we optimize the target model Hamiltonian and density operator via a series of descents along the quantum likelihood gradient, which we prove is negative semidefinite with respect to the negative-log-likelihood function. In addition to such optimization efficiency, our maximum-likelihood-estimate Hamiltonian learning respects the locality of a given quantum system, therefore, extends readily to larger systems with available quantum many-body algorithms. Compared with previous approaches, it also exhibits better accuracy and overall stability toward noises, fluctuations, and temperature ranges, which we demonstrate with various examples.Given the recent developments in quantum techniques, modeling the physical Hamiltonian of a target quantum many-body system is becoming an increasingly practical and vital research direction. Here, we propose an efficient strategy combining maximum-likelihood estimation, gradient descent, and quantum many-body algorithms. Given the measurement outcomes, we optimize the target model Hamiltonian and density operator via a series of descents along the quantum likelihood gradient, which we prove is negative semidefinite with respect to the negative-log-likelihood function. In addition to such optimization efficiency, our maximum-likelihood-estimate Hamiltonian learning respects the locality of a given quantum system, therefore, extends readily to larger systems with available quantum many-body algorithms. Compared with previous approaches, it also exhibits better accuracy and overall stability toward noises, fluctuations, and temperature ranges, which we demonstrate with various examples.

arXiv:2212.13718Physical Review ResearchMay 30, 20234 citations

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.