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1. Quantum Semidefinite Programming with the Hadamard Test and Approximate Amplitude Constraints

   https://doi.org/10.48550/arXiv.2206.14999  

   Patti, T.L.; Kossaifi, J.; Anandkumar, A.; Yelin, S.F. (July 2022, ArXivorg)

   Semidefinite programs are optimization methods with a wide array of applications, such as approximating difficult combinatorial problems. We introduce a variational quantum algorithm for semidefinite programs that uses only n qubits, a constant number of circuit preparations, and O(n2) expectation values in order to solve semidefinite programs with up to N=2n variables and M=2n constraints. Efficient optimization is achieved by encoding the objective matrix as a properly parameterized unitary conditioned on an auxilary qubit, a technique known as the Hadamard Test. The Hadamard Test enables us to optimize the objective function by estimating only a single expectation value of the ancilla qubit, rather than separately estimating exponentially many expectation values. Similarly, we illustrate that the semidefinite programming constraints can be effectively enforced by implementing a second Hadamard Test, as well as imposing ∼n2/2 Pauli string amplitude constraints. We demonstrate the effectiveness of our protocol by devising an efficient quantum implementation of the Goemans-Williamson algorithm, which is a useful approximation for various NP-hard problems, such as MaxCut. Our method exceeds the performance of analogous classical methods on a diverse subset of well-studied MaxCut problems from the GSet library. 

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2. Markov chain Monte Carlo enhanced variational quantum algorithms

   https://doi.org/10.1088/2058-9565/aca821  

   Patti, Taylor L; Shehab, Omar; Najafi, Khadijeh; Yelin, Susanne F (December 2022, Quantum Science and Technology)

   Abstract Variational quantum algorithms have the potential for significant impact on high-dimensional optimization, with applications in classical combinatorics, quantum chemistry, and condensed matter. Nevertheless, the optimization landscape of these algorithms is generally nonconvex, leading the algorithms to converge to local, rather than global, minima and the production of suboptimal solutions. In this work, we introduce a variational quantum algorithm that couples classical Markov chain Monte Carlo techniques with variational quantum algorithms, allowing the former to provably converge to global minima and thus assure solution quality. Due to the generality of our approach, it is suitable for a myriad of quantum minimization problems, including optimization and quantum state preparation. Specifically, we devise a Metropolis–Hastings method that is suitable for variational quantum devices and use it, in conjunction with quantum optimization, to construct quantum ensembles that converge to Gibbs states. These performance guarantees are derived from the ergodicity of our algorithm’s state space and enable us to place analytic bounds on its time-complexity. We demonstrate both the effectiveness of our technique and the validity of our analysis through quantum circuit simulations for MaxCut instances, solving these problems deterministically and with perfect accuracy, as well as large-scale quantum Ising and transverse field spin models of up to 50 qubits. Our technique stands to broadly enrich the field of variational quantum algorithms, improving and guaranteeing the performance of these promising, yet often heuristic, methods. 

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3. Convex geometric motion planning of multi-body systems on lie groups via variational integrators and sparse moment relaxation

   https://doi.org/10.1177/02783649241296160  

   Teng, Sangli; Jasour, Ashkan; Vasudevan, Ram; Ghaffari, Maani (November 2024, The International Journal of Robotics Research)

   This paper reports a novel result: with proper robot models based on geometric mechanics, one can formulate the kinodynamic motion planning problems for rigid body systems as exact polynomial optimization problems. Due to the nonlinear rigid body dynamics, the motion planning problem for rigid body systems is nonconvex. Existing global optimization-based methods do not parameterize 3D rigid body motion efficiently; thus, they do not scale well to long-horizon planning problems. We use Lie groups as the configuration space and apply the variational integrator to formulate the forced rigid body dynamics as quadratic polynomials. Then, we leverage Lasserre’s hierarchy of moment relaxation to obtain the globally optimal solution via semidefinite programming. By leveraging the sparsity of the motion planning problem, the proposed algorithm has linear complexity with respect to the planning horizon. This paper demonstrates that the proposed method can provide globally optimal solutions or certificates of infeasibility at the second-order relaxation for 3D drone landing using full dynamics and inverse kinematics for serial manipulators. Moreover, we extend the algorithms to multi-body systems via the constrained variational integrators. The testing cases on cart-pole and drone with cable-suspended load suggest that the proposed algorithms can provide rank-one optimal solutions or nontrivial initial guesses. Finally, we propose strategies to speed up the computation, including an alternative formulation using quaternion, which provides empirically tight relaxations for the drone landing problem at the first-order relaxation. 

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4. Quantum Goemans-Williamson Algorithm with the Hadamard Test and Approximate Amplitude Constraints

   https://doi.org/10.22331/q-2023-07-12-1057  

   Patti, Taylor L; Kossaifi, Jean; Anandkumar, Anima; Yelin, Susanne F (July 2023, Quantum)

   Semidefinite programs are optimization methods with a wide array of applications, such as approximating difficult combinatorial problems. One such semidefinite program is the Goemans-Williamson algorithm, a popular integer relaxation technique. We introduce a variational quantum algorithm for the Goemans-Williamson algorithm that uses only $n+1$qubits, a constant number of circuit preparations, and $\text{poly}\left(n\right)$expectation values in order to approximately solve semidefinite programs with up to $N=2^n$variables and $M\sim O\left(N\right)$constraints. Efficient optimization is achieved by encoding the objective matrix as a properly parameterized unitary conditioned on an auxilary qubit, a technique known as the Hadamard Test. The Hadamard Test enables us to optimize the objective function by estimating only a single expectation value of the ancilla qubit, rather than separately estimating exponentially many expectation values. Similarly, we illustrate that the semidefinite programming constraints can be effectively enforced by implementing a second Hadamard Test, as well as imposing a polynomial number of Pauli string amplitude constraints. We demonstrate the effectiveness of our protocol by devising an efficient quantum implementation of the Goemans-Williamson algorithm for various NP-hard problems, including MaxCut. Our method exceeds the performance of analogous classical methods on a diverse subset of well-studied MaxCut problems from the GSet library. 

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5. Provably efficient machine learning for quantum many-body problems

   https://doi.org/10.1126/science.abk3333  

   Huang, Hsin-Yuan; Kueng, Richard; Torlai, Giacomo; Albert, Victor V.; Preskill, John (September 2022, Science)

   INTRODUCTION Solving quantum many-body problems, such as finding ground states of quantum systems, has far-reaching consequences for physics, materials science, and chemistry. Classical computers have facilitated many profound advances in science and technology, but they often struggle to solve such problems. Scalable, fault-tolerant quantum computers will be able to solve a broad array of quantum problems but are unlikely to be available for years to come. Meanwhile, how can we best exploit our powerful classical computers to advance our understanding of complex quantum systems? Recently, classical machine learning (ML) techniques have been adapted to investigate problems in quantum many-body physics. So far, these approaches are mostly heuristic, reflecting the general paucity of rigorous theory in ML. Although they have been shown to be effective in some intermediate-size experiments, these methods are generally not backed by convincing theoretical arguments to ensure good performance. RATIONALE A central question is whether classical ML algorithms can provably outperform non-ML algorithms in challenging quantum many-body problems. We provide a concrete answer by devising and analyzing classical ML algorithms for predicting the properties of ground states of quantum systems. We prove that these ML algorithms can efficiently and accurately predict ground-state properties of gapped local Hamiltonians, after learning from data obtained by measuring other ground states in the same quantum phase of matter. Furthermore, under a widely accepted complexity-theoretic conjecture, we prove that no efficient classical algorithm that does not learn from data can achieve the same prediction guarantee. By generalizing from experimental data, ML algorithms can solve quantum many-body problems that could not be solved efficiently without access to experimental data. RESULTS We consider a family of gapped local quantum Hamiltonians, where the Hamiltonian H ( x ) depends smoothly on m parameters (denoted by x ). The ML algorithm learns from a set of training data consisting of sampled values of x , each accompanied by a classical representation of the ground state of H ( x ). These training data could be obtained from either classical simulations or quantum experiments. During the prediction phase, the ML algorithm predicts a classical representation of ground states for Hamiltonians different from those in the training data; ground-state properties can then be estimated using the predicted classical representation. Specifically, our classical ML algorithm predicts expectation values of products of local observables in the ground state, with a small error when averaged over the value of x . The run time of the algorithm and the amount of training data required both scale polynomially in m and linearly in the size of the quantum system. Our proof of this result builds on recent developments in quantum information theory, computational learning theory, and condensed matter theory. Furthermore, under the widely accepted conjecture that nondeterministic polynomial-time (NP)–complete problems cannot be solved in randomized polynomial time, we prove that no polynomial-time classical algorithm that does not learn from data can match the prediction performance achieved by the ML algorithm. In a related contribution using similar proof techniques, we show that classical ML algorithms can efficiently learn how to classify quantum phases of matter. In this scenario, the training data consist of classical representations of quantum states, where each state carries a label indicating whether it belongs to phase A or phase B . The ML algorithm then predicts the phase label for quantum states that were not encountered during training. The classical ML algorithm not only classifies phases accurately, but also constructs an explicit classifying function. Numerical experiments verify that our proposed ML algorithms work well in a variety of scenarios, including Rydberg atom systems, two-dimensional random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases. CONCLUSION We have rigorously established that classical ML algorithms, informed by data collected in physical experiments, can effectively address some quantum many-body problems. These rigorous results boost our hopes that classical ML trained on experimental data can solve practical problems in chemistry and materials science that would be too hard to solve using classical processing alone. Our arguments build on the concept of a succinct classical representation of quantum states derived from randomized Pauli measurements. Although some quantum devices lack the local control needed to perform such measurements, we expect that other classical representations could be exploited by classical ML with similarly powerful results. How can we make use of accessible measurement data to predict properties reliably? Answering such questions will expand the reach of near-term quantum platforms. Classical algorithms for quantum many-body problems. Classical ML algorithms learn from training data, obtained from either classical simulations or quantum experiments. Then, the ML algorithm produces a classical representation for the ground state of a physical system that was not encountered during training. Classical algorithms that do not learn from data may require substantially longer computation time to achieve the same task. 

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