There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

THE DESIGN AND ANALYSIS OF EXPERIMENTS. By Oscar Kempthorne. New York, John Wiley and Sons, Inc., 1952. 631 pp. $8.50. This book by a teacher of statistics (as well as a consultant for \"experimenters\") is a comprehensive study of the philosophical background for the statistical design of experiment. It is necessary to have some facility with algebraic notation and manipulation to be able to use the volume intelligently. The problems are presented from the theoretical point of view, without such practical examples as would be helpful for those not acquainted with mathematics. The mathematical justification for the techniques is given. As a somewhat advanced treatment of the design and analysis of experiments, this volume will be interesting and helpful for many who approach statistics theoretically as well as practically. With emphasis on the \"why,\" and with description given broadly, the author relates the subject matter to the general theory of statistics and to the general problem of experimental inference. MARGARET J. ROBERTSON

The Design and Analysis of Experiments

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.).

Machine learning

Sustainable Development Goals

http://www.lcc.uma.es/~eat/pdf/itor2013.pdf

Parallel metaheuristics: recent advances and new trends

Ant colony optimization (ACO) is a well-known swarm intelligence method, inspired in the social behavior of ant colonies for solving optimization problems. When facing large and complex problem instances, parallel computing techniques are usually applied to improve the efficiency, allowing ACO algorithms to achieve high quality results in reasonable execution times, even when tackling hard-to-solve optimization problems. This work introduces a new taxonomy for classifying software-based parallel ACO algorithms and also presents a systematic and comprehensive survey of the current state-of-the-art on parallel ACO implementations. Each parallel model reviewed is categorized in the new taxonomy proposed, and an insight on trends and perspectives in the field of parallel ACO implementations is provided.

/pdf/a-survey-on-parallel-ant-colony-optimization-3oe1v4f1eg.pdf

A survey on parallel ant colony optimization

This article presents an overview of metaheuristics as high-level soft computing strategies for solving optimisation problems. A general view of the field is presented, and a review of the main algorithms within the class of metaheuristics is reviewed, by introducing the main concepts behind their formulations and their application to solve real-world problems from several domains. A review of the main articles published in International Journal of Metaheuristics is also presented. Finally, some of the main current and future research lines in the field are commented as concluding remarks.

An overview of metaheuristics: accurate and efficient methods for optimisation

We address a multicriteria non-preemptive energy-aware scheduling problem for computational Grid systems. This work introduces a new formulation of the scheduling problem for multicore heterogeneous computational Grid systems in which the minimization of the energy consumption, along with the makespan metric, is considered. We adopt a two-level model, in which a meta-broker agent (level 1) receives all user tasks and schedules them on the available resources, belonging to different local providers (level 2). The computing capacity and energy consumption of resources are taken from real multi-core processors from the main current vendors. Twenty novel list scheduling methods for the problem are proposed, and a comparative analysis of all of them over a large set of problem instances is presented. Additionally, a scalability study is performed in order to analyze the contribution of the best new bi-objective list scheduling heuristics when the problem dimension grows. We conclude after the experimental analysis that accurate trade-off schedules are computed by using the new proposed methods.

Energy-Aware Scheduling on Multicore Heterogeneous Grid Computing Systems

This work presents a novel parallel micro evolutionary algorithm for scheduling tasks in distributed heterogeneous computing and grid environments. The scheduling problem in heterogeneous environments is NP-hard, so a significant effort has been made in order to develop an efficient method to provide good schedules in reduced execution times. The parallel micro evolutionary algorithm is implemented using MALLBA, a general-purpose library for combinatorial optimization. Efficient numerical results are reported in the experimental analysis performed on both well-known problem instances and large instances that model medium-sized grid environments. The comparative study of traditional methods and evolutionary algorithms shows that the parallel micro evolutionary algorithm achieves a high problem solving efficacy, outperforming previous results already reported in the related literature, and also showing a good scalability behavior when facing high dimension problem instances.

/pdf/a-parallel-micro-evolutionary-algorithm-for-heterogeneous-4dnr615jar.pdf

Sergio Nesmachnow

Papers

Parallel metaheuristics: recent advances and new trends

A survey on parallel ant colony optimization

An overview of metaheuristics: accurate and efficient methods for optimisation

Energy-Aware Scheduling on Multicore Heterogeneous Grid Computing Systems

A parallel micro evolutionary algorithm for heterogeneous computing and grid scheduling