Differentiating the multipoint Expected Improvement for optimal batch design

This work deals with parallel optimization of expensive objective functions which are modeled as sample realizations of Gaussian processes. The study is formalized as a Bayesian optimization problem, or continuous multi-armed bandit problem, where a batch of q > 0 arms is pulled in parallel at each iteration. Several algorithms have been developed for choosing batches by trading off exploitation and exploration. As of today, the maximum Expected Improvement (EI) and Upper Confidence Bound (UCB) selection rules appear as the most prominent approaches for batch selection. Here, we build upon recent work on the multipoint Expected Improvement criterion, for which an analytic expansion relying on Tallis' formula was recently established. The computational burden of this selection rule being still an issue in application, we derive a closed-form expression for the gradient of the multipoint Expected Improvement, which aims at facilitating its maximization using gradient-based ascent algorithms. Substantial computational savings are shown in application. In addition, our algorithms are tested numerically and compared to state-of-the-art UCB-based batch-sequential algorithms. Combining starting designs relying on UCB with gradient-based EI local optimization finally appears as a sound option for batch design in distributed Gaussian Process optimization

An optimal three-point eighth-order iterative method without memory for solving nonlinear equations with its dynamics

We present a three-point iterative method without memory for solving nonlinear equations in one variable. The proposed method provides convergence order eight with four function evaluations per iteration. Hence, it possesses a very high computational efficiency and supports Kung and Traub's conjecture. The construction, the convergence analysis, and the numerical implementation of the method will be presented. Using several test problems, the proposed method will be compared with existing methods of convergence order eight concerning accuracy and basin of attraction. Furthermore, some measures are used to judge methods with respect to their performance in finding the basin of attraction.Comment: arXiv admin note: substantial text overlap with arXiv:1508.0174

Computing Real Roots of Real Polynomials

Computing the roots of a univariate polynomial is a fundamental and long-studied problem of computational algebra with applications in mathematics, engineering, computer science, and the natural sciences. For isolating as well as for approximating all complex roots, the best algorithm known is based on an almost optimal method for approximate polynomial factorization, introduced by Pan in 2002. Pan's factorization algorithm goes back to the splitting circle method from Schoenhage in 1982. The main drawbacks of Pan's method are that it is quite involved and that all roots have to be computed at the same time. For the important special case, where only the real roots have to be computed, much simpler methods are used in practice; however, they considerably lag behind Pan's method with respect to complexity. In this paper, we resolve this discrepancy by introducing a hybrid of the Descartes method and Newton iteration, denoted ANEWDSC, which is simpler than Pan's method, but achieves a run-time comparable to it. Our algorithm computes isolating intervals for the real roots of any real square-free polynomial, given by an oracle that provides arbitrary good approximations of the polynomial's coefficients. ANEWDSC can also be used to only isolate the roots in a given interval and to refine the isolating intervals to an arbitrary small size; it achieves near optimal complexity for the latter task.Comment: to appear in the Journal of Symbolic Computatio

History Matching Using Principal Component Analysis

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