Bayesian optimization involves "inner optimization" over a new-data acquisition criterion which is non-convex/highly multi-modal, may be non-differentiable, or may otherwise thwart local numerical optimizers. In such cases it is common to replace continuous search with a discrete one over random candidates. Here we propose using candidates based on a Delaunay triangulation of the existing input design. We detail the construction of these "tricands" and demonstrate empirically how they outperform both numerically optimized acquisitions and random candidate-based alternatives, and are well-suited for hybrid schemes, on benchmark synthetic and real simulation experiments.

An augmented Lagrangian (AL) can convert a constrained optimization problem into a sequence of simpler (e.g., unconstrained) problems which are then usually solved with local solvers. Recently, surrogate-based Bayesian optimization (BO) sub-solvers have been successfully deployed in the AL framework for a more global search in the presence of inequality constraints; however a drawback was that expected improvement (EI) evaluations relied on Monte Carlo. Here we introduce an alternative slack variable AL, and show that in this formulation the EI may be evaluated with library routines. The slack variables furthermore facilitate equality as well as inequality constraints, and mixtures thereof. We show our new slack "ALBO" compares favorably to the original. Its superiority over conventional alternatives is reinforced on several new mixed constraint examples.

Performance models have profound impact on hardware-software codesign, architectural explorations, and performance tuning of scientific applications. Developing algebraic performance models is becoming an increasingly challenging task. In such situations, a statistical surrogate-based performance model, fitted to a small number of input-output points obtained from empirical evaluation on the target machine, provides a range of benefits. Accurate surrogates can emulate the output of the expensive empirical evaluation at new inputs and therefore can be used to test and/or aid search, compiler, and autotuning algorithms. We present an iterative parallel algorithm that builds surrogate performance models for scientific kernels and workloads on single-core and multicore and multinode architectures. We tailor to our unique parallel environment an active learning heuristic popular in the literature on the sequential design of computer experiments in order to identify the code variants whose evaluations have the best potential to improve the surrogate. We use the proposed approach in a number of case studies to illustrate its effectiveness.

Computer experiments often require dense sweeps over input parameters to obtain a qualitative understanding of their response. Such sweeps can be prohibitively expensive, and are unnecessary in regions where the response is easy predicted; well-chosen designs could allow a mapping of the response with far fewer simulation runs. Thus, there is a need for computationally inexpensive surrogate models and an accompanying method for selecting small designs. We explore a general methodology for addressing this need that uses non-stationary Gaussian processes. Binary trees partition the input space to facilitate non-stationarity and a Bayesian interpretation provides an explicit measure of predictive uncertainty that can be used to guide sampling. Our methods are illustrated on several examples, including a motivating example involving computational fluid dynamics simulation of a NASA reentry vehicle.

We are constructing caching policies that have 13-20% lower miss rates than the best of twelve baseline policies over a large variety of request streams. This represents an improvement of 49–63% over Least Recently Used, the most commonly implemented policy. We achieve this not by designing a specific new policy but by using on-line Machine Learning algorithms to dynamically shift between the standard policies based on their observed miss rates. A thorough experimental evaluation of our techniques is given, as well as a discussion of what makes caching an interesting on-line learning problem.