TL;DR: This paper shows empirically and theoretically that randomly chosen trials are more efficient for hyper-parameter optimization than trials on a grid, and shows that random search is a natural baseline against which to judge progress in the development of adaptive (sequential) hyper- parameter optimization algorithms.
Abstract: Grid search and manual search are the most widely used strategies for hyper-parameter optimization. This paper shows empirically and theoretically that randomly chosen trials are more efficient for hyper-parameter optimization than trials on a grid. Empirical evidence comes from a comparison with a large previous study that used grid search and manual search to configure neural networks and deep belief networks. Compared with neural networks configured by a pure grid search, we find that random search over the same domain is able to find models that are as good or better within a small fraction of the computation time. Granting random search the same computational budget, random search finds better models by effectively searching a larger, less promising configuration space. Compared with deep belief networks configured by a thoughtful combination of manual search and grid search, purely random search over the same 32-dimensional configuration space found statistically equal performance on four of seven data sets, and superior performance on one of seven. A Gaussian process analysis of the function from hyper-parameters to validation set performance reveals that for most data sets only a few of the hyper-parameters really matter, but that different hyper-parameters are important on different data sets. This phenomenon makes grid search a poor choice for configuring algorithms for new data sets. Our analysis casts some light on why recent "High Throughput" methods achieve surprising success--they appear to search through a large number of hyper-parameters because most hyper-parameters do not matter much. We anticipate that growing interest in large hierarchical models will place an increasing burden on techniques for hyper-parameter optimization; this work shows that random search is a natural baseline against which to judge progress in the development of adaptive (sequential) hyper-parameter optimization algorithms.
TL;DR: Local search is still the method of choice for NP-hard problems as it provides a robust approach for obtaining high-quality solutions to problems of a realistic size in a reasonable time.
Abstract: From the Publisher:
In the past three decades local search has grown from a simple heuristic idea into a mature field of research in combinatorial optimization. Local search is still the method of choice for NP-hard problems as it provides a robust approach for obtaining high-quality solutions to problems of a realistic size in a reasonable time. This area of discrete mathematics is of great practical use and is attracting ever increasing attention. The contributions to this book cover local search and its variants from both a theoretical and practical point of view, each with a chapter written by leading authorities on that particular aspect. This book is an important reference volume and an invaluable source of inspiration for advanced students and researchers in discrete mathematics, computer science, operations research, industrial engineering and management science.
TL;DR: This heuristic depth-first iterative-deepening algorithm is the only known algorithm that is capable of finding optimal solutions to randomly generated instances of the Fifteen Puzzle within practical resource limits.
TL;DR: The first fully automated design and experimental validation of a novel sequence for an entire protein is described, and a BLAST search shows that the designed sequence, full sequence design 1 (FSD-1), has very low identity to any known protein sequence.
Abstract: The first fully automated design and experimental validation of a novel sequence for an entire protein is described. A computational design algorithm based on physical chemical potential functions and stereochemical constraints was used to screen a combinatorial library of 1.9 x 10^(27) possible amino acid sequences for compatibility with the design target, a ββα protein motif based on the polypeptide backbone structure of a zinc finger domain. A BLAST search shows that the designed sequence, full sequence design 1 (FSD-1), has very low identity to any known protein sequence. The solution structure of FSD-1 was solved by nuclear magnetic resonance spectroscopy and indicates that FSD-1 forms a compact well-ordered structure, which is in excellent agreement with the design target structure. This result demonstrates that computational methods can perform the immense combinatorial search required for protein design, and it suggests that an unbiased and quantitative algorithm can be used in various structural contexts.
TL;DR: A critical discussion of the scientific literature on hyper-heuristics including their origin and intellectual roots, a detailed account of the main types of approaches, and an overview of some related areas are presented.
Abstract: Hyper-heuristics comprise a set of approaches that are motivated (at least in part) by the goal of automating the design of heuristic methods to solve hard computational search problems. An underlying strategic research challenge is to develop more generally applicable search methodologies. The term hyper-heuristic is relatively new; it was first used in 2000 to describe heuristics to choose heuristics in the context of combinatorial optimisation. However, the idea of automating the design of heuristics is not new; it can be traced back to the 1960s. The definition of hyper-heuristics has been recently extended to refer to a search method or learning mechanism for selecting or generating heuristics to solve computational search problems. Two main hyper-heuristic categories can be considered: heuristic selection and heuristic generation. The distinguishing feature of hyper-heuristics is that they operate on a search space of heuristics (or heuristic components) rather than directly on the search space of solutions to the underlying problem that is being addressed. This paper presents a critical discussion of the scientific literature on hyper-heuristics including their origin and intellectual roots, a detailed account of the main types of approaches, and an overview of some related areas. Current research trends and directions for future research are also discussed.