An Overview of Approaches to Modernize Quantum Annealing Using Local Searches

I describe how real quantum annealers may be used to perform local (in state space) searches around specified states, rather than the global searches traditionally implemented in the quantum annealing algorithm. The quantum annealing algorithm is an analogue of simulated annealing, a classical numerical technique which is now obsolete. Hence, I explore strategies to use an annealer in a way which takes advantage of modern classical optimization algorithms, and additionally should be less sensitive to problem mis-specification then the traditional quantum annealing algorithm.Comment: In Proceedings PC 2016, arXiv:1606.06513. An extended version of this contribution will appear on arXiv soon which will describe more detailed algorithms, comment more on robustness to problem mis-specification, comment on thermal sampling applications, and discuss applications on real device

A Bayesian Periodogram Finds Evidence for Three Planets in 47 Ursae Majoris

A Bayesian analysis of 47 Ursae Majoris (47 UMa) radial velocity data confirms and refines the properties of two previously reported planets with periods of 1079 and 2325 days and finds evidence for an additional long period planet with a period of approximately 10000 days. The three planet model is found to be 10^5 times more probable than the next most probable model which is a two planet model. The nonlinear model fitting is accomplished with a new hybrid Markov chain Monte Carlo (HMCMC) algorithm which incorporates parallel tempering, simulated annealing and genetic crossover operations. Each of these features facilitate the detection of a global minimum in chi-squared. By combining all three, the HMCMC greatly increases the probability of realizing this goal. When applied to the Kepler problem it acts as a powerful multi-planet Kepler periodogram. The measured periods are 1078 \pm 2, 2391{+100}{-87}, and 14002{+4018}{-5095}d, and the corresponding eccentricities are 0.032 \pm 0.014, 0.098{+.047}{-.096}, and 0.16{+.09}{-.16}. The results favor low eccentricity orbits for all three. Assuming the three signals (each one consistent with a Keplerian orbit) are caused by planets, the corresponding limits on planetary mass (M sin i) and semi-major axis are (2.53{+.07}{-.06}MJ, 2.10\pm0.02au), (0.54\pm0.07MJ, 3.6\pm0.1au), and (1.6{+0.3}{-0.5}MJ, 11.6{+2.1}{-2.9}au), respectively. We have also characterized a noise induced eccentricity bias and designed a correction filter that can be used as an alternate prior for eccentricity, to enhance the detection of planetary orbits of low or moderate eccentricity

Studies of an Off-Lattice Model for Protein Folding: Sequence Dependence and Improved Sampling at Finite Temperature

We study the thermodynamic behavior of a simple off-lattice model for protein folding. The model is two-dimensional and has two different ``amino acids''. Using numerical simulations of all chains containing eight or ten monomers, we examine the sequence dependence at a fixed temperature. It is shown that only a few of the chains exist in unique folded state at this temperature, and the energy level spectra of chains with different types of behavior are compared. Furthermore, we use this model as a testbed for two improved Monte Carlo algorithms. Both algorithms are based on letting some parameter of the model become a dynamical variable; one of the algorithms uses a fluctuating temperature and the other a fluctuating monomer sequence. We find that by these algorithms one gains large factors in efficiency in comparison with conventional methods.Comment: 17 pages, 9 Postscript figures. Combined with chem-ph/950500

Integration of Simulated Quantum Annealing in Parallel Tempering and Population Annealing for Heterogeneous-Profile QUBO Exploration

Simulated Quantum Annealing (SQA) is a heuristic algorithm which can solve Quadratic Unconstrained Binary Optimization (QUBO) problems by emulating the exploration of the solution space done by a quantum annealer. It mimics the quantum superposition and tunnelling effects through a set of correlated replicas of the spins system representing the problem to be solved and performing Monte Carlo steps. However, the effectiveness of SQA over a classical algorithm strictly depends on the cost/energy profile of the target problem. In fact, quantum annealing only performs well in exploring functions with high and narrow peaks, while classical annealing is better in overcoming flat and wide energy-profile barriers. Unfortunately, real-world problems have a heterogeneous solution space and the probability of success of each solver depends on the size of the energy profile region compatible with its exploration mechanism. Therefore, significant advantages could be obtained by exploiting hybrid solvers, which combine SQA and classical algorithms. This work proposes four new quantum-classical algorithms: Simulated Quantum Parallel Tempering (SQPT), Simulated Quantum Population Annealing (SQPA), Simulated Quantum Parallel Tempering - Population Annealing v1 (SQPTPA1) and Simulated Quantum Parallel Tempering - Population Annealing v2 (SQPTPA2). They are obtained by combining SQA, Parallel Tempering (PT), and Population Annealing (PA). Their results are compared with those provided by SQA, considering benchmark QUBO problems, characterized by different profiles. Even though this work is preliminary, the obtained results are encouraging and prove hybrid solvers’ potential in solving a generic optimization problem

Importance Tempering

Simulated tempering (ST) is an established Markov chain Monte Carlo (MCMC) method for sampling from a multimodal density $\pi(\theta)$. Typically, ST involves introducing an auxiliary variable $k$ taking values in a finite subset of $[0,1]$ and indexing a set of tempered distributions, say $\pi_k(\theta) \propto \pi(\theta)^k$. In this case, small values of $k$ encourage better mixing, but samples from $\pi$ are only obtained when the joint chain for $(\theta,k)$ reaches $k=1$. However, the entire chain can be used to estimate expectations under $\pi$ of functions of interest, provided that importance sampling (IS) weights are calculated. Unfortunately this method, which we call importance tempering (IT), can disappoint. This is partly because the most immediately obvious implementation is na\"ive and can lead to high variance estimators. We derive a new optimal method for combining multiple IS estimators and prove that the resulting estimator has a highly desirable property related to the notion of effective sample size. We briefly report on the success of the optimal combination in two modelling scenarios requiring reversible-jump MCMC, where the na\"ive approach fails.Comment: 16 pages, 2 tables, significantly shortened from version 4 in response to referee comments, to appear in Statistics and Computin