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arXiv:2505.04514

Quantum thermodynamics and semi-definite optimization

Nana Liu, Michele Minervini, Dhrumil Patel, Mark M. Wilde

Published May 7, 2025• 0 citations
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Abstract

In quantum thermodynamics, a system is described by a Hamiltonian and a list of non-commuting charges representing conserved quantities like particle number or electric charge, and an important goal is to determine the system's minimum energy in the presence of these conserved charges. In optimization theory, a semi-definite program (SDP) involves a linear objective function optimized over the cone of positive semi-definite operators intersected with an affine space. These problems arise from differing motivations in the physics and optimization communities and are phrased using very different terminology, yet they are essentially identical mathematically. By adopting Jaynes' mindset motivated by quantum thermodynamics, we observe that minimizing free energy in the aforementioned thermodynamics problem, instead of energy, leads to an elegant solution in terms of a dual chemical potential maximization problem that is concave in the chemical potential parameters. As such, one can employ standard (stochastic) gradient ascent methods to find the optimal values of these parameters, and these methods are guaranteed to converge quickly. At low temperature, the minimum free energy provides an excellent approximation for the minimum energy. We then show how this Jaynes-inspired gradient-ascent approach can be used in both first- and second-order classical and hybrid quantum-classical algorithms for minimizing energy, and equivalently, how it can be used for solving SDPs, with guarantees on the runtimes of the algorithms. The approach discussed here is well grounded in quantum thermodynamics and, as such, provides physical motivation underpinning why algorithms published fifty years after Jaynes' seminal work, including the matrix multiplicative weights update method, the matrix exponentiated gradient update method, and their quantum algorithmic generalizations, perform well at solving SDPs.

DOI
10.48550/arxiv.2505.04514

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In quantum thermodynamics, a system is described by a Hamiltonian and a list of non-commuting charges representing conserved quantities like particle number or electric charge, and an important goal is to determine the system's minimum energy in the presence of these conserved charges. In optimization theory, a semi-definite program (SDP) involves a linear objective function optimized over the cone of positive semi-definite operators intersected with an affine space. These problems arise from differing motivations in the physics and optimization communities and are phrased using very different terminology, yet they are essentially identical mathematically. By adopting Jaynes' mindset motivated by quantum thermodynamics, we observe that minimizing free energy in the aforementioned thermodynamics problem, instead of energy, leads to an elegant solution in terms of a dual chemical potential maximization problem that is concave in the chemical potential parameters. As such, one can employ standard (stochastic) gradient ascent methods to find the optimal values of these parameters, and these methods are guaranteed to converge quickly. At low temperature, the minimum free energy provides an excellent approximation for the minimum energy. We then show how this Jaynes-inspired gradient-ascent approach can be used in both first- and second-order classical and hybrid quantum-classical algorithms for minimizing energy, and equivalently, how it can be used for solving SDPs, with guarantees on the runtimes of the algorithms. The approach discussed here is well grounded in quantum thermodynamics and, as such, provides physical motivation underpinning why algorithms published fifty years after Jaynes' seminal work, including the matrix multiplicative weights update method, the matrix exponentiated gradient update method, and their quantum algorithmic generalizations, perform well at solving SDPs.
A quantum thermodynamic system is described by a Hamiltonian and a list of conserved, non-commuting charges, and a fundamental goal is to determine the minimum energy of the system subject to constraints on the charges. Recently, [Liu et al., arXiv:2505.04514] proposed first- and second-order classical and hybrid quantum-classical algorithms for solving a dual chemical potential maximization problem, and they proved that these algorithms converge to global optima by means of gradient-ascent approaches. In this paper, we benchmark these algorithms on several problems of interest in thermodynamics, including one- and two-dimensional quantum Heisenberg models with nearest- and next-nearest neighbor interactions and with the charges set to the total x, y, and z magnetizations. We also offer an alternative compelling interpretation of these algorithms as methods for designing ground and thermal states of controllable Hamiltonians, with potential applications in molecular and material design. Furthermore, we introduce stabilizer thermodynamic systems as thermodynamic systems based on stabilizer codes, with the Hamiltonian constructed from a given code's stabilizer operators and the charges constructed from the code's logical operators. We benchmark the aforementioned algorithms on several examples of stabilizer thermodynamic systems, including those constructed from the one-to-three-qubit repetition code, the perfect one-to-five-qubit code, and the two-to-four-qubit error-detecting code. Finally, we observe that the aforementioned hybrid quantum-classical algorithms, when applied to stabilizer thermodynamic systems, can serve as alternative methods for encoding quantum information into stabilizer codes at a fixed temperature, and we provide an effective method for warm-starting these encoding algorithms whenever a single qubit is encoded into multiple physical qubits.
We study the semidefinite programs (SDPs) of quantum information whose variables are density operators, measurement operators, or unbounded positive semidefinite operators, together with their thermodynamic regularizations by the von Neumann, Fermi-Dirac, and Bose-Einstein entropies, which have been associated with Boltzmann, Fermi-Dirac, and Bose-Einstein statistics, respectively. We find that this correspondence is exact: the Fermi-Dirac and Bose-Einstein regularized SDPs coincide with the constrained free-energy minimization of an ideal Fermi or Bose gas whose Hamiltonian and non-commuting charges are the second quantizations of the SDP data and whose one-body density matrix is the SDP variable, while the Boltzmann framework corresponds to the single-particle case. We show that the three frameworks can be unified under one framework, in which each entropy-regularized dual is, up to a term linear in the chemical potentials, the grand potential of the corresponding system; the duals are unconstrained and concave in the chemical-potential vector, with gradient and Hessian given by thermal expectation values that hybrid quantum-classical algorithms can estimate. We further identify the Fermi-Dirac and Bose-Einstein relative entropies with the Umegaki relative entropy between quasi-free states, which yields their monotonicity under gauge-covariant Gaussian channels. The result places a wide class of SDPs and their solvers within the thermodynamics of ideal quantum gases and points to extensions to interacting gases.
We establish that semidefinite programs (SDPs) over the unbounded positive semidefinite cone are mathematically equivalent to thermodynamic systems of independent bosonic modes: the eigenvalues of the optimization variable play the role of expected occupation numbers, the linear objective plays the role of total expected energy, and the linear equality constraints play the role of conserved non-commuting charges. Building on this perspective, we recast general SDPs as bosonic free-energy minimization problems at strictly positive temperature, regularized by the Bose-Einstein entropy; the original SDP is recovered in the zero-temperature limit. The optimal primal variable takes the form of a Bose-Einstein thermal operator parametrized by the dual variables. We prove an approximation-error bound that depends on the ground-space degeneracy and the spectral gap of the dual slack operator, improving on the linear-in-dimension worst-case duality gap of interior-point methods. We also introduce the Bose-Einstein quantum relative entropy as a Bregman divergence on the unbounded positive semidefinite cone, generated by the negative Bose-Einstein entropy. We propose it as a natural divergence for unnormalized positive operators, for which the standard Umegaki relative entropy can become negative, and we show that it satisfies a restricted monotonicity property under affine maps modeling bosonic Gaussian channels. Finally, we develop hybrid quantum-classical algorithms for the regularized SDP using only Hamiltonian simulation, Hadamard tests, and classical sampling, and bound their runtime in closed form. Unlike existing quantum SDP solvers, whose runtimes scale polynomially with an a priori upper bound on the primal trace, our framework operates directly on the unbounded cone, replacing this bound with a dependence on the spectral structure of the dual slack operator.
Quantum thermodynamics offers a unifying interpretation for a wide class of semidefinite programs (SDPs) that arise in quantum information. Three SDP variable constraints, namely trace-one density operators, operator-bounded measurements, and the unbounded positive semidefinite cone, admit thermodynamic regularizations associated with Boltzmann, Fermi-Dirac, and Bose-Einstein statistics, respectively. In each case the entropy-regularized dual is unconstrained and concave in a chemical-potential vector, and the primal optimum is a thermal operator of the matched statistics. The dual gradient and Hessian are thermal expectation values, enabling new hybrid quantum-classical algorithms for solving a wide variety of SDPs.
We investigate variational problems in quantum thermodynamics at positive temperature, in which admissible states are constrained by prescribed outcomes of a finite set of measurements. We solve a problem raised by the recent work [Liu, Minervini, Patel, Wilde; arXiv:2505.04514 - Section C] and develop a general mathematical setup which allows a broad class of possible regularizations. Employing methods inspired by non-commutative optimal transport, we analyze the dual formulation of the problem, study the existence and characterization of maximizers, and investigate the qualitative behavior of the model in the zero-temperature limit. In the second part, we tailor this framework to quantum state tomography and quantum optimal transport. Finally, we address computational aspects, with particular attention to the convergence of algorithms in selected cases.
We give two new quantum algorithms for solving semidefinite programs (SDPs) providing quantum speed-ups. We consider SDP instances with m constraint matrices, each of dimension n, rank at most r, and sparsity s. The first algorithm assumes an input model where one is given access to an oracle to the entries of the matrices at unit cost. We show that it has run time O~(s^2 (sqrt{m} epsilon^{-10} + sqrt{n} epsilon^{-12})), with epsilon the error of the solution. This gives an optimal dependence in terms of m, n and quadratic improvement over previous quantum algorithms (when m ~~ n). The second algorithm assumes a fully quantum input model in which the input matrices are given as quantum states. We show that its run time is O~(sqrt{m}+poly(r))*poly(log m,log n,B,epsilon^{-1}), with B an upper bound on the trace-norm of all input matrices. In particular the complexity depends only polylogarithmically in n and polynomially in r. We apply the second SDP solver to learn a good description of a quantum state with respect to a set of measurements: Given m measurements and a supply of copies of an unknown state rho with rank at most r, we show we can find in time sqrt{m}*poly(log m,log n,r,epsilon^{-1}) a description of the state as a quantum circuit preparing a density matrix which has the same expectation values as rho on the m measurements, up to error epsilon. The density matrix obtained is an approximation to the maximum entropy state consistent with the measurement data considered in Jaynes' principle from statistical mechanics. As in previous work, we obtain our algorithm by "quantizing" classical SDP solvers based on the matrix multiplicative weight update method. One of our main technical contributions is a quantum Gibbs state sampler for low-rank Hamiltonians, given quantum states encoding these Hamiltonians, with a poly-logarithmic dependence on its dimension, which is based on ideas developed in quantum principal component analysis. We also develop a "fast" quantum OR lemma with a quadratic improvement in gate complexity over the construction of Harrow et al. [Harrow et al., 2017]. We believe both techniques might be of independent interest.