There is a deep and useful connection between statistical mechanics (the behavior of systems with many degrees of freedom in thermal equilibrium at a finite temperature) and multivariate or combinatorial optimization (finding the minimum of a given function depending on many parameters). A detailed analogy with annealing in solids provides a framework for optimization of the properties of very large and complex systems. This connection to statistical mechanics exposes new information and provides an unfamiliar perspective on traditional optimization problems and methods.

https://science.sciencemag.org/content/sci/220/4598/671.full.pdf

Optimization by Simulated Annealing

Numerical Optimization presents a comprehensive and up-to-date description of the most effective methods in continuous optimization. It responds to the growing interest in optimization in engineering, science, and business by focusing on the methods that are best suited to practical problems. For this new edition the book has been thoroughly updated throughout. There are new chapters on nonlinear interior methods and derivative-free methods for optimization, both of which are used widely in practice and the focus of much current research. Because of the emphasis on practical methods, as well as the extensive illustrations and exercises, the book is accessible to a wide audience. It can be used as a graduate text in engineering, operations research, mathematics, computer science, and business. It also serves as a handbook for researchers and practitioners in the field. The authors have strived to produce a text that is pleasant to read, informative, and rigorous - one that reveals both the beautiful nature of the discipline and its practical side.

Numerical Optimization

The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks.

NMRPipe: a multidimensional spectral processing system based on UNIX pipes

We propose and study a set of algorithms for discovering community structure in networks-natural divisions of network nodes into densely connected subgroups. Our algorithms all share two definitive features: first, they involve iterative removal of edges from the network to split it into communities, the edges removed being identified using any one of a number of possible "betweenness" measures, and second, these measures are, crucially, recalculated after each removal. We also propose a measure for the strength of the community structure found by our algorithms, which gives us an objective metric for choosing the number of communities into which a network should be divided. We demonstrate that our algorithms are highly effective at discovering community structure in both computer-generated and real-world network data, and show how they can be used to shed light on the sometimes dauntingly complex structure of networked systems.

/pdf/finding-and-evaluating-community-structure-in-networks-1o9f6y8pyr.pdf

Finding and evaluating community structure in networks.

SciPy is an open source scientific computing library for the Python programming language. SciPy 1.0 was released in late 2017, about 16 years after the original version 0.1 release. SciPy has become a de facto standard for leveraging scientific algorithms in the Python programming language, with more than 600 unique code contributors, thousands of dependent packages, over 100,000 dependent repositories, and millions of downloads per year. This includes usage of SciPy in almost half of all machine learning projects on GitHub, and usage by high profile projects including LIGO gravitational wave analysis and creation of the first-ever image of a black hole (M87). The library includes functionality spanning clustering, Fourier transforms, integration, interpolation, file I/O, linear algebra, image processing, orthogonal distance regression, minimization algorithms, signal processing, sparse matrix handling, computational geometry, and statistics. In this work, we provide an overview of the capabilities and development practices of the SciPy library and highlight some recent technical developments.

/pdf/scipy-1-0-fundamental-algorithms-for-scientific-computing-in-111lr790ol.pdf

SciPy 1.0--Fundamental Algorithms for Scientific Computing in Python

We consider the problem of partitioning the nodes of a graph with costs on its edges into subsets of given sizes so as to minimize the sum of the costs on all edges cut. This problem arises in several physical situations — for example, in assigning the components of electronic circuits to circuit boards to minimize the number of connections between boards. This paper presents a heuristic method for partitioning arbitrary graphs which is both effective in finding optimal partitions, and fast enough to be practical in solving large problems.

An efficient heuristic procedure for partitioning graphs

This paper discusses a highly effective heuristic procedure for generating optimum and near-optimum solutions for the symmetric traveling-salesman problem. The procedure is based on a general approach to heuristics that is believed to have wide applicability in combinatorial optimization problems. The procedure produces optimum solutions for all problems tested, "classical" problems appearing in the literature, as well as randomly generated test problems, up to 110 cities. Run times grow approximately as n2; in absolute terms, a typical 100-city problem requires less than 25 seconds for one case GE635, and about three minutes to obtain the optimum with above 95 per cent confidence.

An Effective Heuristic Algorithm for the Traveling-Salesman Problem

Practical large-scale mathematical programming involves more than just the application of an algorithm to minimize or maximize an objective function. Before any optimizing routine can be invoked, considerable effort must be expended to formulate the underlying model and to generate the requisite computational data structures. AMPL is a new language designed to make these steps easier and less error-prone. AMPL closely resembles the symbolic algebraic notation that many modelers use to describe mathematical programs, yet it is regular and formal enough to be processed by a computer system; it is particularly notable for the generality of its syntax and for the variety of its indexing operations. We have implemented an efficient translator that takes as input a linear AMPL model and associated data, and produces output suitable for standard linear programming optimizers. Both the language and the translator admit straightforward extensions to more general mathematical programs that incorporate nonlinear expressions or discrete variables.

AMPL: A Modeling Language for Mathematical Programming

This ebook is the first authorized digital version of Kernighan and Ritchie's 1988 classic, The C Programming Language (2nd Ed.). One of the best-selling programming books published in the last fifty years, "K&R" has been called everything from the "bible" to "a landmark in computer science" and it has influenced generations of programmers. Available now for all leading ebook platforms, this concise and beautifully written text is a "must-have" reference for every serious programmers digital library.

As modestly described by the authors in the Preface to the First Edition, this "is not an introductory programming manual; it assumes some familiarity with basic programming concepts like variables, assignment statements, loops, and functions. Nonetheless, a novice programmer should be able to read along and pick up the language, although access to a more knowledgeable colleague will help."

The C programming language

/pdf/the-c-programming-language-13ln3iidy9.pdf

Brian W. Kernighan

Papers

An efficient heuristic procedure for partitioning graphs

An Effective Heuristic Algorithm for the Traveling-Salesman Problem

AMPL: A Modeling Language for Mathematical Programming

The C programming language

The C Programming Language