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1. Estimating Convergence of Markov chains with L-Lag Couplings

   Biswas, Niloy ; Jacob, Pierre E ; Vanetti, Paul ( January 2019 , Advances in neural information processing systems)

   Markov chain Monte Carlo (MCMC) methods generate samples that are asymptotically distributed from a target distribution of interest as the number of iterations goes to infinity. Various theoretical results provide upper bounds on the distance between the target and marginal distribution after a fixed number of iterations. These upper bounds are on a case by case basis and typically involve intractable quantities, which limits their use for practitioners. We introduce L-lag couplings to generate computable, non-asymptotic upper bound estimates for the total variation or the Wasserstein distance of general Markov chains. We apply L-lag couplings to the tasks of (i) determining MCMC burn-in, (ii) comparing different MCMC algorithms with the same target, and (iii) comparing exact and approximate MCMC. Lastly, we (iv) assess the bias of sequential Monte Carlo and self-normalized importance samplers. 

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2. Adiabatic quantum state transfer in a semiconductor quantum-dot spin chain

   https://doi.org/10.1038/s41467-021-22416-5  

   Kandel, Yadav P. ; Qiao, Haifeng ; Fallahi, Saeed ; Gardner, Geoffrey C. ; Manfra, Michael J. ; Nichol, John M. ( December 2021 , Nature Communications)

   null (Ed.)

   Abstract Semiconductor quantum-dot spin qubits are a promising platform for quantum computation, because they are scalable and possess long coherence times. In order to realize this full potential, however, high-fidelity information transfer mechanisms are required for quantum error correction and efficient algorithms. Here, we present evidence of adiabatic quantum-state transfer in a chain of semiconductor quantum-dot electron spins. By adiabatically modifying exchange couplings, we transfer single- and two-spin states between distant electrons in less than 127 ns. We also show that this method can be cascaded for spin-state transfer in long spin chains. Based on simulations, we estimate that the probability to correctly transfer single-spin eigenstates and two-spin singlet states can exceed 0.95 for the experimental parameters studied here. In the future, state and process tomography will be required to verify the transfer of arbitrary single qubit states with a fidelity exceeding the classical bound. Adiabatic quantum-state transfer is robust to noise and pulse-timing errors. This method will be useful for initialization, state distribution, and readout in large spin-qubit arrays for gate-based quantum computing. It also opens up the possibility of universal adiabatic quantum computing in semiconductor quantum-dot spin qubits. 

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3. Embedding short-range correlations in relativistic density functionals through quasi-deuterons

   https://doi.org/10.1140/epja/s10050-022-00765-z  

   Burrello, S. ; Typel, S. ( July 2022 , The European Physical Journal A)

   Abstract The formation of clusters at sub-saturation densities, as a result of many-body correlations, constitutes an essential feature for a reliable modelization of the nuclear matter equation of state (EoS). Phenomenological models that make use of energy density functionals (EDFs) offer a convenient approach to account for the presence of these bound states of nucleons when introduced as additional degrees of freedom. However, in these models clusters dissolve, by construction, when the nuclear saturation density is approached from below, revealing inconsistencies with recent findings that evidence the existence of short-range correlations (SRCs) even at larger densities. The idea of this work is to incorporate SRCs in established models for the EoS, in light of the importance of these features for the description of heavy-ion collisions, nuclear structure and in the astrophysical context. Our aim is to describe SRCs at supra-saturation densities by using effective quasi-clusters immersed in dense matter as a surrogate for correlations, in a regime where cluster dissolution is usually predicted in phenomenological models. Within the EDF framework, we explore a novel approach to embed SRCs within a relativistic mean-field model with density dependent couplings through the introduction of suitable in-medium modifications of the cluster properties, in particular their binding energy shifts, which are responsible for describing the cluster dissolution. As a first exploratory step, the example of a quasi-deuteron within the generalized relativistic density functional approach is investigated. The zero temperature case is examined, where the deuteron fraction is given by the density of a boson condensate. For the first time, suitable parameterizations of the cluster mass shift at zero temperature are derived for all baryon densities. They are constrained by experimental results for the effective deuteron fraction in nuclear matter near saturation and by microscopic many-body calculations in the low-density limit. A proper description of well-constrained nuclear matter quantities at saturation is kept through a refit of the nucleon meson coupling strengths. The proposed parameterizations allow to also determine the density dependence of the quasi-deuteron mass fraction at arbitrary isospin asymmetries. The strength of the deuteron-meson couplings is assessed to be of crucial importance. Novel effects on some thermodynamic quantities, such as the matter incompressibility, the symmetry energy and its slope, are finally discerned and discussed. The findings of the present study represent a first step to improve the description of nuclear matter and its EoS at supra-saturation densities in EDFs by considering correlations in an effective way. In a next step, the single-particle momentum distributions in nuclear matter can be explored using proper wave functions of the quasi-deuteron in the medium. The momentum distributions are expected to exhibit a high-momentum tail, as observed in the experimental study of SRCs by nucleon knockout with high-energy electrons. This will be studied in a forthcoming publication with an extensive presentation of the theoretical method and the results. 

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4. Double photoionization of atomic carbon and neon

   https://doi.org/10.1088/1742-6596/1412/1/011035  

   Yip, F L ; Rescigno, T N ; McCurdy, C W ( June 2020 , Journal of Physics: Conference Series ICPEAC XXXI)

   We consider the double photoionization of the 2p2 valence electrons of atomic carbon, which provides for distinct final-state symmetries depending on the three possible angular momentum couplings (3P,1D, and 1S) of the initially-bound p2 electrons that are ejected into the continuum by a single photon. Comparison of this process with neon provides an analogous case for the resulting final states within the treatment of the double photoionization proceeding with the ejected electrons influenced by the remaining bound electrons. 

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5. A two-level distributed algorithm for nonconvex constrained optimization

   https://doi.org/10.1007/s10589-022-00433-4  

   Sun, Kaizhao ; Sun, X. Andy ( November 2022 , Computational Optimization and Applications)

   This paper aims to develop distributed algorithms for nonconvex optimization problems with complicated constraints associated with a network. The network can be a physical one, such as an electric power network, where the constraints are nonlinear power flow equations, or an abstract one that represents constraint couplings between decision variables of different agents. Despite the recent development of distributed algorithms for nonconvex programs, highly complicated constraints still pose a significant challenge in theory and practice. We first identify some difficulties with the existing algorithms based on the alternating direction method of multipliers (ADMM) for dealing with such problems. We then propose a reformulation that enables us to design a two-level algorithm, which embeds a specially structured three-block ADMM at the inner level in an augmented Lagrangian method framework. Furthermore, we prove the global and local convergence as well as iteration complexity of this new scheme for general nonconvex constrained programs, and show that our analysis can be extended to handle more complicated multi-block inner-level problems. Finally, we demonstrate with computation that the new scheme provides convergent and parallelizable algorithms for various nonconvex applications, and is able to complement the performance of the state-of-the-art distributed algorithms in practice by achieving either faster convergence in optimality gap or in feasibility or both.

    

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