Combinatorial Scientific Computing

Combinatorial Scientific Computing explores the latest research on creating algorithms and software tools to solve key combinatorial problems on large-scale high-performance computing architectures. It includes contributions from international researchers who are pioneers in designing software and applications for high-performance computing systems. The book offers a state-of-the-art overview of the latest research, tool development, and applications. It focuses on load balancing and parallelization on high-performance computers, large-scale optimization, algorithmic differentiation of numerical simulation code, sparse matrix software tools, and combinatorial challenges and applications in large-scale social networks. The authors unify these seemingly disparate areas through a common set of abstractions and algorithms based on combinatorics, graphs, and hypergraphs. Combinatorial algorithms have long played a crucial enabling role in scientific and engineering computations and their importance continues to grow with the demands of new applications and advanced architectures. By addressing current challenges in the field, this volume sets the stage for the accelerated development and deployment of fundamental enabling technologies in high-performance scientific computing.

The papers in this volume were presented at CSC18, the 8th SIAM Workshop on Combinatorial Scientific Computing, held June 6-8, 2018 in Bergen, Norway. The CSC workshop series provides a forum for researchers from academia and industry interested in the interaction of combinatorial (discrete) mathematics and algorithms with computational science and engineering. CSC18 follows seven successful CSC workshops held roughly biennially, in February 2004, June 2005, February 2007, October 2009, May 2011, July 2014, and October 2016.

Scientific computing has often been called the third approach to scientific discovery, emerging as a peer to experimentation and theory. Historically, the synergy between experimentation and theory has been well understood: experiments give insight into possible theories, theories inspire experiments, experiments reinforce or invalidate theories, and so on. As scientific computing has evolved to produce results that meet or exceed the quality of experimental and theoretical results, it has become indispensable.Parallel processing has been an enabling technology in scientific computing for more than 20 years. This book is the first in-depth discussion of parallel computing in 10 years; it reflects the mix of topics that mathematicians, computer scientists, and computational scientists focus on to make parallel processing effective for scientific problems. Presently, the impact of parallel processing on scientific computing varies greatly across disciplines, but it plays a vital role in most problem domains and is absolutely essential in many of them. Parallel Processing for Scientific Computing is divided into four parts: The first concerns performance modeling, analysis, and optimization; the second focuses on parallel algorithms and software for an array of problems common to many modeling and simulation applications; the third emphasizes tools and environments that can ease and enhance the process of application development; and the fourth provides a sampling of applications that require parallel computing for scaling to solve larger and realistic models that can advance science and engineering. This edited volume serves as an up-to-date reference for researchers and application developers on the state of the art in scientific computing. It also serves as an excellent overview and introduction, especially for graduate and senior-level undergraduate students interested in computational modeling and simulation and related computer science and applied mathematics aspects.Contents List of Figures; List of Tables; Preface; Chapter 1: Frontiers of Scientific Computing: An Overview; Part I: Performance Modeling, Analysis and Optimization. Chapter 2: Performance Analysis: From Art to Science; Chapter 3: Approaches to Architecture-Aware Parallel Scientific Computation; Chapter 4: Achieving High Performance on the BlueGene/L Supercomputer; Chapter 5: Performance Evaluation and Modeling of Ultra-Scale Systems; Part II: Parallel Algorithms and Enabling Technologies. Chapter 6: Partitioning and Load Balancing; Chapter 7: Combinatorial Parallel and Scientific Computing; Chapter 8: Parallel Adaptive Mesh Refinement; Chapter 9: Parallel Sparse Solvers, Preconditioners, and Their Applications; Chapter 10: A Survey of Parallelization Techniques for Multigrid Solvers; Chapter 11: Fault Tolerance in Large-Scale Scientific Computing; Part III: Tools and Frameworks for Parallel Applications. Chapter 12: Parallel Tools and Environments: A Survey; Chapter 13: Parallel Linear Algebra Software; Chapter 14: High-Performance Component Software Systems; Chapter 15: Integrating Component-Based Scientific Computing Software; Part IV: Applications of Parallel Computing. Chapter 16: Parallel Algorithms for PDE-Constrained Optimization; Chapter 17: Massively Parallel Mixed-Integer Programming; Chapter 18: Parallel Methods and Software for Multicomponent Simulations; Chapter 19: Parallel Computational Biology; Chapter 20: Opportunities and Challenges for Parallel Computing in Science and Engineering; Index.

Elements of Combinatorial Computing focuses on the processes, principles, methodologies, and approaches involved in combinatorial computing. The publication first takes a look at a language for combinatorial computing, language implementation and program efficiency, and computer representation of mathematical objects. Discussions focus on geometric configurations, elementary combinatorial configurations, sets and vectors, natural numbers, program optimization, data representation, set manipulation, notation for iteration and recursion, and nested iteration and recursive programming. The text then takes a look at backtrack programming, generation of elementary configurations, and additional basic techniques and manipulations. Topics include isomorph rejection, transformations, finite set covering, sorting techniques, permutations with repeated objects, compositions, partitions, subsets and combinations, and basic backtracking and impasse detection. The book examines additional basic techniques and manipulations and applications of advanced algorithms. The publication is highly recommended for computer science experts and researchers interested in the elements in combinatorial computing.

The five-volume set LNCS 11536, 11537, 11538, 11539, and 11540 constitutes the proceedings of the 19th International Conference on Computational Science, ICCS 2019, held in Faro, Portugal, in June 2019. The total of 65 full papers and 168 workshop papers presented in this book set were carefully reviewed and selected from 573 submissions (228 submissions to the main track and 345 submissions to the workshops). The papers were organized in topical sections named: Part I: ICCS Main Track Part II: ICCS Main Track; Track of Advances in High-Performance Computational Earth Sciences: Applications and Frameworks; Track of Agent-Based Simulations, Adaptive Algorithms and Solvers; Track of Applications of Matrix Methods in Artificial Intelligence and Machine Learning; Track of Architecture, Languages, Compilation and Hardware Support for Emerging and Heterogeneous Systems Part III: Track of Biomedical and Bioinformatics Challenges for Computer Science; Track of Classifier Learning from Difficult Data; Track of Computational Finance and Business Intelligence; Track of Computational Optimization, Modelling and Simulation; Track of Computational Science in IoT and Smart Systems Part IV: Track of Data-Driven Computational Sciences; Track of Machine Learning and Data Assimilation for Dynamical Systems; Track of Marine Computing in the Interconnected World for the Benefit of the Society; Track of Multiscale Modelling and Simulation; Track of Simulations of Flow and Transport: Modeling, Algorithms and Computation Part V: Track of Smart Systems: Computer Vision, Sensor Networks and Machine Learning; Track of Solving Problems with Uncertainties; Track of Teaching Computational Science; Poster Track ICCS 2019 Chapter “Comparing Domain-decomposition Methods for the Parallelization of Distributed Land Surface Models” is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.

Bioinspired computation methods such as evolutionary algorithms and ant colony optimization are being applied successfully to complex engineering problems and to problems from combinatorial optimization, and with this comes the requirement to more fully understand the computational complexity of these search heuristics. This is the first textbook covering the most important results achieved in this area. The authors study the computational complexity of bioinspired computation and show how runtime behavior can be analyzed in a rigorous way using some of the best-known combinatorial optimization problems -- minimum spanning trees, shortest paths, maximum matching, covering and scheduling problems. A feature of the book is the separate treatment of single- and multiobjective problems, the latter a domain where the development of the underlying theory seems to be lagging practical successes. This book will be very valuable for teaching courses on bioinspired computation and combinatorial optimization. Researchers will also benefit as the presentation of the theory covers the most important developments in the field over the last 10 years. Finally, with a focus on well-studied combinatorial optimization problems rather than toy problems, the book will also be very valuable for practitioners in this field.