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Abstract: "There are many areas of computational science in which it is necessary or desirable to compute derivatives. Automatic differentiation (AD) tools such as ADIFOR and ADIC have proven very useful for developing derivative code for programs written in Fortran and C. However, many scientific applications are written for or ported to parallel platforms to maximize performance. We have developed tools and techniques for applying AD to parallel programs, paying special attention to message- passing parallel programs. We list several potential problems that arise in differentiating parallel programs and present solutions for each of them. Some of the issues concern the correctness of the generated code, whereas others concern performance. While many of the issues have analogues in sequential programs, the solution is often quite different. In addition, some new concerns arise that are unique to parallel programs. We also describe how the tools and techniques developed to enable AD of parallel programs were applied to a variety of applications, ranging from a simple test problem to a parallel molecular dynamics application. The results confirm the need for and efficacy of several techniques. They also verify the prediction that the program generated by AD will generally demonstrate better speedup and scalability than the original program. We conclude with some brief remarks on how AD can be applied to other types of parallel programs and a description of how this work relates to other research in the areas of AD and scientific computing."
This is the first entry-level book on algorithmic (also known as automatic) differentiation (AD), providing fundamental rules for the generation of first- and higher-order tangent-linear and adjoint code. The author covers the mathematical underpinnings as well as how to apply these observations to real-world numerical simulation programs. Readers will find: examples and exercises, including hints to solutions; the prototype AD tools dco and dcc for use with the examples and exercises; first- and higher-order tangent-linear and adjoint modes for a limited subset of C/C++, provided by the derivative code compiler dcc; a supplementary website containing sources of all software discussed in the book, additional exercises and comments on their solutions (growing over the coming years), links to other sites on AD, and errata.
The Fifth International Conference on Automatic Differentiation held from August 11 to 15, 2008 in Bonn, Germany, is the most recent one in a series that began in Breckenridge, USA, in 1991 and continued in Santa Fe, USA, in 1996, Nice, France, in 2000 and Chicago, USA, in 2004. The 31 papers included in these proceedings re?ect the state of the art in automatic differentiation (AD) with respect to theory, applications, and tool development. Overall, 53 authors from institutions in 9 countries contributed, demonstrating the worldwide acceptance of AD technology in computational science. Recently it was shown that the problem underlying AD is indeed NP-hard, f- mally proving the inherently challenging nature of this technology. So, most likely, no deterministic “silver bullet” polynomial algorithm can be devised that delivers optimum performance for general codes. In this context, the exploitation of doma- speci?c structural information is a driving issue in advancing practical AD tool and algorithm development. This trend is prominently re?ected in many of the pub- cations in this volume, not only in a better understanding of the interplay of AD and certain mathematical paradigms, but in particular in the use of hierarchical AD approaches that judiciously employ general AD techniques in application-speci?c - gorithmic harnesses. In this context, the understanding of structures such as sparsity of derivatives, or generalizations of this concept like scarcity, plays a critical role, in particular for higher derivative computations.
Numerical programs often use parallel programming techniques such as OpenMP to compute the program's output values as efficient as possible. In addition, derivative values of these output values with respect to certain input values play a crucial role. To achieve code that computes not only the output values simultaneously but also the derivative values, this work introduces several source-to-source transformation rules. These rules are based on a technique called algorithmic differentiation. The main focus of this work lies on the important reverse mode of algorithmic differentiation. The inherent data-flow reversal of the reverse mode must be handled properly during the transformation. The first part of the work examines the transformations in a very general way since pragma-based parallel regions occur in many different kinds such as OpenMP, OpenACC, and Intel Phi. The second part describes the transformation rules of the most important OpenMP constructs.
This title is a comprehensive treatment of algorithmic, or automatic, differentiation. The second edition covers recent developments in applications and theory, including an elegant NP completeness argument and an introduction to scarcity.
Arguably the strongest addition to numerical finance of the past decade, Algorithmic Adjoint Differentiation (AAD) is the technology implemented in modern financial software to produce thousands of accurate risk sensitivities, within seconds, on light hardware. AAD recently became a centerpiece of modern financial systems and a key skill for all quantitative analysts, developers, risk professionals or anyone involved with derivatives. It is increasingly taught in Masters and PhD programs in finance. Danske Bank's wide scale implementation of AAD in its production and regulatory systems won the In-House System of the Year 2015 Risk award. The Modern Computational Finance books, written by three of the very people who designed Danske Bank's systems, offer a unique insight into the modern implementation of financial models. The volumes combine financial modelling, mathematics and programming to resolve real life financial problems and produce effective derivatives software. This volume is a complete, self-contained learning reference for AAD, and its application in finance. AAD is explained in deep detail throughout chapters that gently lead readers from the theoretical foundations to the most delicate areas of an efficient implementation, such as memory management, parallel implementation and acceleration with expression templates. The book comes with professional source code in C++, including an efficient, up to date implementation of AAD and a generic parallel simulation library. Modern C++, high performance parallel programming and interfacing C++ with Excel are also covered. The book builds the code step-by-step, while the code illustrates the concepts and notions developed in the book.
A survey book focusing on the key relationships and synergies between automatic differentiation (AD) tools and other software tools, such as compilers and parallelizers, as well as their applications. The key objective is to survey the field and present the recent developments. In doing so the topics covered shed light on a variety of perspectives. They reflect the mathematical aspects, such as the differentiation of iterative processes, and the analysis of nonsmooth code. They cover the scientific programming aspects, such as the use of adjoints in optimization and the propagation of rounding errors. They also cover "implementation" problems.
This book constitutes the thoroughly refereed post-workshop proceedings of the First and the Second International Workshop on OpenMP, IWOMP 2005 and IWOMP 2006, held in Eugene, OR, USA, and in Reims, France, in June 2005 and 2006 respectively. The first part of the book presents 16 revised full papers carefully reviewed and selected from the IWOMP 2005 program and organized in topical sections on performance tools, compiler technology, run-time environment, applications, as well as the OpenMP language and its evaluation. In the second part there are 19 papers of IWOMP 2006, fully revised and grouped thematically in sections on advanced performance tuning aspects of code development applications, and proposed extensions to OpenMP.
Covers the state of the art in automatic differentiation theory and practice. Intended for computational scientists and engineers, this book aims to provide insight into effective strategies for using automatic differentiation for design optimization, sensitivity analysis, and uncertainty quantification.