Array programming with NumPy.

Array programming provides a powerful, compact and expressive syntax for accessing, manipulating and operating on data in vectors, matrices and higher-dimensional arrays. NumPy is the primary array programming library for the Python language. It has an essential role in research analysis pipelines in fields as diverse as physics, chemistry, astronomy, geoscience, biology, psychology, materials science, engineering, finance and economics. For example, in astronomy, NumPy was an important part of the software stack used in the discovery of gravitational waves1 and in the first imaging of a black hole2. Here we review how a few fundamental array concepts lead to a simple and powerful programming paradigm for organizing, exploring and analysing scientific data. NumPy is the foundation upon which the scientific Python ecosystem is constructed. It is so pervasive that several projects, targeting audiences with specialized needs, have developed their own NumPy-like interfaces and array objects. Owing to its central position in the ecosystem, NumPy increasingly acts as an interoperability layer between such array computation libraries and, together with its application programming interface (API), provides a flexible framework to support the next decade of scientific and industrial analysis

Asynchronous Execution of Python Code on Task Based Runtime Systems

Despite advancements in the areas of parallel and distributed computing, the complexity of programming on High Performance Computing (HPC) resources has deterred many domain experts, especially in the areas of machine learning and artificial intelligence (AI), from utilizing performance benefits of such systems. Researchers and scientists favor high-productivity languages to avoid the inconvenience of programming in low-level languages and costs of acquiring the necessary skills required for programming at this level. In recent years, Python, with the support of linear algebra libraries like NumPy, has gained popularity despite facing limitations which prevent this code from distributed runs. Here we present a solution which maintains both high level programming abstractions as well as parallel and distributed efficiency. Phylanx, is an asynchronous array processing toolkit which transforms Python and NumPy operations into code which can be executed in parallel on HPC resources by mapping Python and NumPy functions and variables into a dependency tree executed by HPX, a general purpose, parallel, task-based runtime system written in C++. Phylanx additionally provides introspection and visualization capabilities for debugging and performance analysis. We have tested the foundations of our approach by comparing our implementation of widely used machine learning algorithms to accepted NumPy standards

cphVB: A System for Automated Runtime Optimization and Parallelization of Vectorized Applications

Modern processor architectures, in addition to having still more cores, also require still more consideration to memory-layout in order to run at full capacity. The usefulness of most languages is deprecating as their abstractions, structures or objects are hard to map onto modern processor architectures efficiently. The work in this paper introduces a new abstract machine framework, cphVB, that enables vector oriented high-level programming languages to map onto a broad range of architectures efficiently. The idea is to close the gap between high-level languages and hardware optimized low-level implementations. By translating high-level vector operations into an intermediate vector bytecode, cphVB enables specialized vector engines to efficiently execute the vector operations. The primary success parameters are to maintain a complete abstraction from low-level details and to provide efficient code execution across different, modern, processors. We evaluate the presented design through a setup that targets multi-core CPU architectures. We evaluate the performance of the implementation using Python implementations of well-known algorithms: a jacobi solver, a kNN search, a shallow water simulation and a synthetic stencil simulation. All demonstrate good performance

HeAT – a Distributed and GPU-accelerated Tensor Framework for Data Analytics

In order to cope with the exponential growth in available data, the efficiency of data analysis and machine learning libraries have recently received increased attention. Although corresponding array-based numerical kernels have been significantly improved, most are limited by the resources available on a single computational node. Consequently, kernels must exploit distributed resources, e.g., distributed memory architectures. To this end, we introduce HeAT, an array-based numerical programming framework for large-scale parallel processing with an easy-to-use NumPy-like API. HeAT utilizes PyTorch as a node-local eager execution engine and distributes the workload via MPI on arbitrarily large high-performance computing systems. It provides both low-level array-based computations, as well as assorted higher-level algorithms. With HeAT, it is possible for a NumPy user to take advantage of their available resources, significantly lowering the barrier to distributed data analysis. Compared with applications written in similar frameworks, HeAT achieves speedups of up to two orders of magnitude

Managing Communication Latency-Hiding at Runtime for Parallel Programming Languages and Libraries

This work introduces a runtime model for managing communication with support for latency-hiding. The model enables non-computer science researchers to exploit communication latency-hiding techniques seamlessly. For compiled languages, it is often possible to create efficient schedules for communication, but this is not the case for interpreted languages. By maintaining data dependencies between scheduled operations, it is possible to aggressively initiate communication and lazily evaluate tasks to allow maximal time for the communication to finish before entering a wait state. We implement a heuristic of this model in DistNumPy, an auto-parallelizing version of numerical Python that allows sequential NumPy programs to run on distributed memory architectures. Furthermore, we present performance comparisons for eight benchmarks with and without automatic latency-hiding. The results shows that our model reduces the time spent on waiting for communication as much as 27 times, from a maximum of 54% to only 2% of the total execution time, in a stencil application.Comment: PREPRIN

Object-oriented implementations of the MPDATA advection equation solver in C++, Python and Fortran

Three object-oriented implementations of a prototype solver of the advection equation are introduced. The presented programs are based on Blitz++ (C++), NumPy (Python), and Fortran's built-in array containers. The solvers include an implementation of the Multidimensional Positive-Definite Advective Transport Algorithm (MPDATA). The introduced codes exemplify how the application of object-oriented programming (OOP) techniques allows to reproduce the mathematical notation used in the literature within the program code. A discussion on the tradeoffs of the programming language choice is presented. The main angles of comparison are code brevity and syntax clarity (and hence maintainability and auditability) as well as performance. In the case of Python, a significant performance gain is observed when switching from the standard interpreter (CPython) to the PyPy implementation of Python. Entire source code of all three implementations is embedded in the text and is licensed under the terms of the GNU GPL license

HeAT -- a Distributed and GPU-accelerated Tensor Framework for Data Analytics

To cope with the rapid growth in available data, the efficiency of data analysis and machine learning libraries has recently received increased attention. Although great advancements have been made in traditional array-based computations, most are limited by the resources available on a single computation node. Consequently, novel approaches must be made to exploit distributed resources, e.g. distributed memory architectures. To this end, we introduce HeAT, an array-based numerical programming framework for large-scale parallel processing with an easy-to-use NumPy-like API. HeAT utilizes PyTorch as a node-local eager execution engine and distributes the workload on arbitrarily large high-performance computing systems via MPI. It provides both low-level array computations, as well as assorted higher-level algorithms. With HeAT, it is possible for a NumPy user to take full advantage of their available resources, significantly lowering the barrier to distributed data analysis. When compared to similar frameworks, HeAT achieves speedups of up to two orders of magnitude.Comment: 10 pages, 8 figures, 5 listings, 1 tabl

Loo.py: transformation-based code generation for GPUs and CPUs

Today's highly heterogeneous computing landscape places a burden on programmers wanting to achieve high performance on a reasonably broad cross-section of machines. To do so, computations need to be expressed in many different but mathematically equivalent ways, with, in the worst case, one variant per target machine. Loo.py, a programming system embedded in Python, meets this challenge by defining a data model for array-style computations and a library of transformations that operate on this model. Offering transformations such as loop tiling, vectorization, storage management, unrolling, instruction-level parallelism, change of data layout, and many more, it provides a convenient way to capture, parametrize, and re-unify the growth among code variants. Optional, deep integration with numpy and PyOpenCL provides a convenient computing environment where the transition from prototype to high-performance implementation can occur in a gradual, machine-assisted form

API design for machine learning software: experiences from the scikit-learn project

Scikit-learn is an increasingly popular machine learning li- brary. Written in Python, it is designed to be simple and efficient, accessible to non-experts, and reusable in various contexts. In this paper, we present and discuss our design choices for the application programming interface (API) of the project. In particular, we describe the simple and elegant interface shared by all learning and processing units in the library and then discuss its advantages in terms of composition and reusability. The paper also comments on implementation details specific to the Python ecosystem and analyzes obstacles faced by users and developers of the library