Martin Pelikan

Bio: Martin Pelikan is an academic researcher from University of Missouri. The author has contributed to research in topics: Estimation of distribution algorithm & Genetic algorithm. The author has an hindex of 45, co-authored 130 publications receiving 9118 citations. Previous affiliations of Martin Pelikan include Slovak University of Technology in Bratislava & ETH Zurich.

BOA: the Bayesian optimization algorithm

Abstract: In this paper, an algorithm based on the concepts of genetic algorithms that uses an estimation of a probability distribution of promising solutions in order to generate new candidate solutions is proposed. To estimate the distribution, techniques for modeling multivariate data by Bayesian networks are used. The proposed algorithm identifies, reproduces and mixes building blocks up to a specified order. It is independent of the ordering of the variables in the strings representing the solutions. Moreover, prior information about the problem can be incorporated into the algorithm. However, prior information is not essential. Preliminary experiments show that the BOA outperforms the simple genetic algorithm even on decomposable functions with tight building blocks as a problem size grows.

A survey of optimization by building and using probabilistic models

Abstract: Summarizes the research on population-based probabilistic search algorithms based on modeling promising solutions by estimating their probability distribution and using the constructed model to guide the exploration of the search space. It settles the algorithms in the field of genetic and evolutionary computation where they have been originated. All methods are classified into a few classes according to the complexity of the class of models they use. Algorithms from each of these classes are briefly described and their strengths and weaknesses are discussed.

A Survey of Optimization by Building and Using Probabilistic Models

Abstract: This paper summarizes the research on population-based probabilistic search algorithms based on modeling promising solutions by estimating their probability distribution and using the constructed model to guide the exploration of the search space. It settles the algorithms in the field of genetic and evolutionary computation where they have been originated, and classifies them into a few classes according to the complexity of models they use. Algorithms within each class are briefly described and their strengths and weaknesses are discussed.

An introduction and survey of estimation of distribution algorithms

Abstract: Estimation of distribution algorithms (EDAs) are stochastic optimization techniques that explore the space of potential solutions by building and sampling explicit probabilistic models of promising candidate solutions. This explicit use of probabilistic models in optimization offers some significant advantages over other types of metaheuristics. This paper discusses these advantages and outlines many of the different types of EDAs. In addition, some of the most powerful efficiency enhancement techniques applied to EDAs are discussed and some of the key theoretical results relevant to EDAs are outlined.

Structure and flexibility within proteins as identified through small angle X-ray scattering.

Abstract: Flexibility between domains of proteins is often critical for function. These motions and proteins with large scale flexibility in general are often not readily amenable to conventional structural analysis such as X-ray crystallography, nuclear magnetic resonance spectroscopy (NMR) or electron microscopy. A common evolution of a crystallography project, once a high resolution structure has been determined, is to postulate possible sights of flexibility. Here we describe an analysis tool using relatively inexpensive small angle X-ray scattering (SAXS) measurements to identify flexibility and validate a constructed minimal ensemble of models, which represent highly populated conformations in solution. The resolution of these results is sufficient to address the questions being asked: what kinds of conformations do the domains sample in solution? In our rigid body modeling strategy BILBOMD, molecular dynamics (MD) simulations are used to explore conformational space. A common strategy is to perform the MD simulation on the domains connections at very high temperature, where the additional kinetic energy prevents the molecule from becoming trapped in a local minimum. The MD simulations provide an ensemble of molecular models from which a SAXS curve is calculated and compared to the experimental curve. A genetic algorithm is used to identify the minimal ensemble (minimal ensemble search, MES) required to best fit the experimental data. We demonstrate the use of MES in several model and in four experimental examples.

Machine learning

Abstract: Machine Learning is the study of methods for programming computers to learn. Computers are applied to a wide range of tasks, and for most of these it is relatively easy for programmers to design and implement the necessary software. However, there are many tasks for which this is difficult or impossible. These can be divided into four general categories. First, there are problems for which there exist no human experts. For example, in modern automated manufacturing facilities, there is a need to predict machine failures before they occur by analyzing sensor readings. Because the machines are new, there are no human experts who can be interviewed by a programmer to provide the knowledge necessary to build a computer system. A machine learning system can study recorded data and subsequent machine failures and learn prediction rules. Second, there are problems where human experts exist, but where they are unable to explain their expertise. This is the case in many perceptual tasks, such as speech recognition, hand-writing recognition, and natural language understanding. Virtually all humans exhibit expert-level abilities on these tasks, but none of them can describe the detailed steps that they follow as they perform them. Fortunately, humans can provide machines with examples of the inputs and correct outputs for these tasks, so machine learning algorithms can learn to map the inputs to the outputs. Third, there are problems where phenomena are changing rapidly. In finance, for example, people would like to predict the future behavior of the stock market, of consumer purchases, or of exchange rates. These behaviors change frequently, so that even if a programmer could construct a good predictive computer program, it would need to be rewritten frequently. A learning program can relieve the programmer of this burden by constantly modifying and tuning a set of learned prediction rules. Fourth, there are applications that need to be customized for each computer user separately. Consider, for example, a program to filter unwanted electronic mail messages. Different users will need different filters. It is unreasonable to expect each user to program his or her own rules, and it is infeasible to provide every user with a software engineer to keep the rules up-to-date. A machine learning system can learn which mail messages the user rejects and maintain the filtering rules automatically. Machine learning addresses many of the same research questions as the fields of statistics, data mining, and psychology, but with differences of emphasis. Statistics focuses on understanding the phenomena that have generated the data, often with the goal of testing different hypotheses about those phenomena. Data mining seeks to find patterns in the data that are understandable by people. Psychological studies of human learning aspire to understand the mechanisms underlying the various learning behaviors exhibited by people (concept learning, skill acquisition, strategy change, etc.).

Human biochemical genetics

Abstract: So far in this course we have dealt entirely with the evolution of characters that are controlled by simple Mendelian inheritance at a single locus. There are notes on the course website about gametic disequilibrium and how allele frequencies change at two loci simultaneously, but we didn’t discuss them. In every example we’ve considered we’ve imagined that we could understand something about evolution by examining the evolution of a single gene. That’s the domain of classical population genetics. For the next few weeks we’re going to be exploring a field that’s actually older than classical population genetics, although the approach we’ll be taking to it involves the use of population genetic machinery. If you know a little about the history of evolutionary biology, you may know that after the rediscovery of Mendel’s work in 1900 there was a heated debate between the “biometricians” (e.g., Galton and Pearson) and the “Mendelians” (e.g., de Vries, Correns, Bateson, and Morgan). Biometricians asserted that the really important variation in evolution didn’t follow Mendelian rules. Height, weight, skin color, and similar traits seemed to

Evolutionary algorithms for solving multi-objective problems

Abstract: List of Figures. List of Tables. Preface. Foreword. 1. Basic Concepts. 2. Evolutionary Algorithm MOP Approaches. 3. MOEA Test Suites. 4. MOEA Testing and Analysis. 5. MOEA Theory and Issues. 3. MOEA Theoretical Issues. 6. Applications. 7. MOEA Parallelization. 8. Multi-Criteria Decision Making. 9. Special Topics. 10. Epilog. Appendix A: MOEA Classification and Technique Analysis. Appendix B: MOPs in the Literature. Appendix C: Ptrue & PFtrue for Selected Numeric MOPs. Appendix D: Ptrue & PFtrue for Side-Constrained MOPs. Appendix E: MOEA Software Availability. Appendix F: MOEA-Related Information. Index. References.