Quantum measurements are the means by which we recover messages encoded into quantum states. They are at the forefront of quantum hypothesis testing, wherein the goal is to perform an optimal measurement for arriving at a correct conclusion. Mathematically, a measurement operator is Hermitian with eigenvalues in [0,1]. By noticing that this constraint on each eigenvalue is the same as that imposed on fermions by the Pauli exclusion principle, we interpret every eigenmode of a measurement operator as an independent effective fermionic mode. Under this perspective, various objective functions in quantum hypothesis testing can be viewed as the total expected energy associated with these fermionic occupation numbers. By instead fixing a temperature and minimizing the total expected fermionic free energy, we find that optimal measurements for these modified objective functions are Fermi-Dirac thermal measurements, wherein their eigenvalues are specified by Fermi-Dirac distributions. In the low-temperature limit, their performance closely approximates that of optimal measurements for quantum hypothesis testing, and we show that their parameters can be learned by classical or hybrid quantum-classical optimization algorithms. This leads to a new quantum machine-learning model, termed Fermi-Dirac machines, consisting of parameterized Fermi-Dirac thermal measurements-an alternative to quantum Boltzmann machines based on thermal states. Beyond hypothesis testing, we show how general semidefinite optimization problems can be solved using this approach, leading to a novel paradigm for semidefinite optimization on quantum computers, in which the goal is to implement thermal measurements rather than prepare thermal states. Finally, we propose quantum algorithms for implementing Fermi-Dirac thermal measurements, and we also propose second-order hybrid quantum-classical optimization algorithms.
Quantum measurements are the means by which we recover messages encoded into quantum states. They are at the forefront of quantum hypothesis testing, wherein the goal is to perform an optimal measurement for arriving at a correct conclusion. Mathematically, a measurement operator is Hermitian with eigenvalues in [0,1]. By noticing that this constraint on each eigenvalue is the same as that imposed on fermions by the Pauli exclusion principle, we interpret every eigenmode of a measurement operator as an independent effective fermionic mode. Under this perspective, various objective functions in quantum hypothesis testing can be viewed as the total expected energy associated with these fermionic occupation numbers. By instead fixing a temperature and minimizing the total expected fermionic free energy, we find that optimal measurements for these modified objective functions are Fermi-Dirac thermal measurements, wherein their eigenvalues are specified by Fermi-Dirac distributions. In the low-temperature limit, their performance closely approximates that of optimal measurements for quantum hypothesis testing, and we show that their parameters can be learned by classical or hybrid quantum-classical optimization algorithms. This leads to a new quantum machine-learning model, termed Fermi-Dirac machines, consisting of parameterized Fermi-Dirac thermal measurements-an alternative to quantum Boltzmann machines based on thermal states. Beyond hypothesis testing, we show how general semidefinite optimization problems can be solved using this approach, leading to a novel paradigm for semidefinite optimization on quantum computers, in which the goal is to implement thermal measurements rather than prepare thermal states. Finally, we propose quantum algorithms for implementing Fermi-Dirac thermal measurements, and we also propose second-order hybrid quantum-classical optimization algorithms.
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 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.
Thermal states play a fundamental role in various areas of physics, and they are becoming increasingly important in quantum information science, with applications related to semidefinite programming, quantum Boltzmann machine learning, Hamiltonian learning, and the related task of estimating the parameters of a Hamiltonian. Here we establish formulas underlying the basic geometry of parameterized thermal states, and we delineate quantum algorithms for estimating the values of these formulas. More specifically, we establish formulas for the Fisher--Bures and Kubo--Mori information matrices of parameterized thermal states, and our quantum algorithms for estimating their matrix elements involve a combination of classical sampling, Hamiltonian simulation, and the Hadamard test. These results have applications in developing a natural gradient descent algorithm for quantum Boltzmann machine learning, which takes into account the geometry of thermal states, and in establishing fundamental limitations on the ability to estimate the parameters of a Hamiltonian, when given access to thermal-state samples. For the latter task, and for the special case of estimating a single parameter, we sketch an algorithm that realizes a measurement that is asymptotically optimal for the estimation task. We finally stress that the natural gradient descent algorithm developed here can be used for any machine learning problem that employs the quantum Boltzmann machine ansatz.
Learning quantum Hamiltonians from low-temperature thermal state measurements is a fundamental problem in quantum physics. Scalability of existing methods is limited by the complexity of semidefinite optimization problems or partition function computation. Here, we develop a quantum analog of classical score matching method that exploits generalized notions of derivatives and integration by parts in operator algebras. We introduce a new \emph{Operator Score Matching} loss function that recovers Hamiltonian parameters by a simple gradient descent without the need to compute intractable normalization constants. Numerical experiments on the Gibbs states of the transverse-field Ising model, XXZ spin chain, Fermi-Hubbard model, and lattice φ4 theory demonstrate efficient parameter recovery using finite-depth truncations of nested commutator expansions. Our results establish Operator Score Matching as a practical, partition-function-free framework for quantum Hamiltonian learning.
Estimating the ground-state energy of Hamiltonians is a fundamental task for which it is believed that quantum computers can be helpful. Several approaches have been proposed toward this goal, including algorithms based on quantum phase estimation and hybrid quantum-classical optimizers involving parameterized quantum circuits, the latter falling under the umbrella of the variational quantum eigensolver. Here, we analyze the performance of quantum Boltzmann machines for this task, which is a less explored ansatz based on parameterized thermal states and which is not known to suffer from the barren-plateau problem. We delineate a hybrid quantum-classical algorithm for this task and rigorously prove that it converges to an ε-approximate stationary point of the energy function optimized over parameter space, while using a number of parameterized-thermal-state samples that is polynomial in ε−1, the number of parameters, and the norm of the Hamiltonian being optimized. Our algorithm estimates the gradient of the energy function efficiently by means of a quantum circuit construction that combines classical random sampling, Hamiltonian simulation, and the Hadamard test. Additionally, supporting our main claims are calculations of the gradient and Hessian of the energy function, as well as an upper bound on the matrix elements of the latter that is used in the convergence analysis.
The theories of optimization and machine learning answer foundational questions in computer science and lead to new algorithms for practical applications. While these topics have been extensively studied in the context of classical computing, their quantum counterparts are far from well-understood. In this thesis, we explore algorithms that bridge the gap between the fields of quantum computing and machine learning. First, we consider general optimization problems with only function evaluations. For two core problems, namely general convex optimization and volume estimation of convex bodies, we give quantum algorithms as well as quantum lower bounds that constitute the quantum speedups of both problems to be polynomial compared to their classical counterparts. We then consider machine learning and optimization problems with input data stored explicitly as matrices. We first look at semidefinite programs and provide quantum algorithms with polynomial speedup compared to the classical state-of-the-art. We then move to machine learning and give the optimal quantum algorithms for linear and kernel-based classifications. To complement with our quantum algorithms, we also introduce a framework for quantum-inspired classical algorithms, showing that for low-rank matrix arithmetics there can only be polynomial quantum speedup. Finally, we study statistical problems on quantum computers, with the focus on testing properties of probability distributions. We show that for testing various properties including L1-distance, L2-distance, Shannon and Renyi entropies, etc., there are polynomial quantum speedups compared to their classical counterparts. We also extend these results to testing properties of quantum states.