Matrix and vector data structures-foundation for scientific computing in C++

Author(s):  
I Okoloko
2018 ◽  
pp. 39-68
Author(s):  
Stephen Wise
Keyword(s):  

2021 ◽  
Author(s):  
Mirko Mälicke

Abstract. Geostatistical methods are widely used in almost all geoscientific disciplines, i.e. for interpolation, re-scaling, data assimilation or modelling. At its core geostatistics aims to detect, quantify, describe, analyze and model spatial covariance of observations. The variogram, a tool to describe this spatial covariance in a formalized way, is at the heart of every such method. Unfortunately, many applications of geostatistics rather focus on the interpolation method or the result, than the quality of the estimated variogram. Not least because estimating a variogram is commonly left as a task for computers and some software implementations do not even show a variogram to the user. This is a miss, because the quality of the variogram largely determines, whether the application of geostatistics makes sense at all. Furthermore, the Python programming language was missing a mature, well-established and tested package for variogram estimation a couple of years ago. Here I present SciKit-GStat, an open source Python package for variogram estimation, that fits well into established frameworks for scientific computing and puts the focus on the variogram before more sophisticated methods are about to be applied. SciKit-GStat is written in a mutable, object-oriented way that mimics the typical geostatistical analysis workflow. Its main strength is the ease of usage and interactivity and it is therefore usable with only a little or even no knowledge in Python. During the last few years, other libraries covering geostatistics for Python developed along with SciKit-GStat. Today, the most important ones can be interfaced by SciKit-GStat. Additionally, established data structures for scientific computing are reused internally, to keep the user from learning complex data models, just for using SciKit-GStat. Common data structures along with powerful interfaces enable the user to use SciKit-GStat along with other packages in established workflows, rather than forcing the user to stick to the authors programming paradigms. SciKit-GStat ships with a large number of predefined procedures, algorithms and models, such as variogram estimators, theoretical spatial models or binning algorithms. Common approaches to estimate variograms are covered and can be used out of the box. At the same time, the base class is very flexible and can be adjusted to less common problems, as well. Last but not least, it was made sure, that a user is aided at implementing new procedures, or even extending the core functionality as much as possible, to extend SciKit-GStat to uncovered use-cases. With broad documentation, user guide, tutorials and good unit-test coverage, SciKit-GStat enables the user to focus on variogram estimation, rather than implementation details.


Author(s):  
A. Hahanova ◽  
V. Hahanov ◽  
S. Chumachenko ◽  
E. Litvinova ◽  
D. Rakhlis

Context. It is known that data structures are decisive for the creation of efficient parallel algorithms and high-performance computing devices. Therefore, the development of mathematically perfect and technologically simple data structures takes about 80 percent of the design time, when about 20 percent of time and material resources are spent on algorithms and their hardware-software coding. This lead to search for such primitives of data structures that will significantly simplify the parallel high-performance algorithms which are working on them. Models and methods for testing and simulation of digital systems are proposed, which containing certain advantages of quantum computing in terms of implementation of vector qubit data structures in technology of classical computational processes. Objective. The goal of the work is development of an innovative technology for qubit-vector synthesis and deductive analysis of tests for their verification based on vector data structures that greatly simplify algorithms that can be embedded as BIST components in digital systems on chips. Method. The deductive faults simulation is used to obtain analytical expressions focused on transporting fault lists through a functional or logical element based on the xor-operation, which serves as a measure of similarity-difference between a test, a function and faults which is specified in the same way in one of the formats − a table, graph, equation. A binary vector is proposed as the most technologically advanced primitive of data structures for setting logical functionality for the purpose of parallel synthesis and analysis of digital systems. The parallelism of solving combinatorial problems is a physical property of quantum computing, which in classical computing, for parallel simulation and faults diagnostics, is provided by unitary-coded data structures due to excess memory. Results. 1) A method of analytical synthesis of deductive logic for functional elements on the gate level and register transfer level has been developed. 2) A deductive processor for faults simulation based on transporting input lists or faults vectors to external outputs of digital circuits was proposed. 3) The qubit-vector form of logic setting and methods of qubit synthesis of deductive equations for faults simulation were described. 4) A qubit-vector method for the tests’ synthesis which is using derivatives calculated by vector coverage of logic has been developed. 5) Models and methods verification is performed on test examples in the software implementation of structures and algorithms. Conclusions. The scientific novelty lies in the new paradigm of the technology for the synthesis of deductive RTL logic based on metric test equation, which forms the. A vector form for structures description is introduced, which makes it possible to apply wellknown technologies for the synthesis and analysis of logical circuits tests to effectively solve the problems of graph structures testing and state machine models of digital devices. The practical significance is reflected in the examples of analytical synthesis of deductive logic for functional elements on gate level and register transfer level. A deductive processor for faults simulation which is focused on implementation as a BIST tool, which is used in online testing, simulation and fault diagnosis for digital systems on chips is proposed. A qubit-vector form of the digital systems description is proposed, which surpasses the existing methods of computing devices development in terms of the metric: manufacturability, compactness, speed and quality. A software application has been developed that implements the main testing, simulation and diagnostics services which are used in the educational process to study the advantages of qubit-vector data structures and algorithms. The computational complexity of synthesis processes and deductive formulas for logic and their usage in fault simulation are given.


Author(s):  
Dengdi Sun ◽  
Chris Ding ◽  
Jin Tang ◽  
Bin Luo

Dimensionality reduction plays a vital role in pattern recognition. However, for normalized vector data, existing methods do not utilize the fact that the data is normalized. In this chapter, the authors propose to employ an Angular Decomposition of the normalized vector data which corresponds to embedding them on a unit surface. On graph data for similarity/kernel matrices with constant diagonal elements, the authors propose the Angular Decomposition of the similarity matrices which corresponds to embedding objects on a unit sphere. In these angular embeddings, the Euclidean distance is equivalent to the cosine similarity. Thus data structures best described in the cosine similarity and data structures best captured by the Euclidean distance can both be effectively detected in our angular embedding. The authors provide the theoretical analysis, derive the computational algorithm, and evaluate the angular embedding on several datasets. Experiments on data clustering demonstrate that the method can provide a more discriminative subspace.


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