论文标题

迈向近似感知的计算工作流程框架,用于加速大规模发现任务

Towards an Approximation-Aware Computational Workflow Framework for Accelerating Large-Scale Discovery Tasks

论文作者

Johnston, Michael A., Vassiliadis, Vassilis

论文摘要

在计算科学中,近似的使用至关重要。几乎所有计算方法都采用某种形式的近似值,以获得有利的成本/准确性权衡,通常可以使用许多近似值。结果,当研究人员希望用计算技术测量系统的属性时,他们就会面临各种选择。当前的计算工作流框架着重于帮助研究人员在特定平台上自动化一系列步骤。目的通常是要获得对财产的计算测量。但是,这些框架并不意识到可能有多种方法。因此,他们不能支持研究人员在开发或执行时间内做出这些选择。 我们认为,应将计算工作流框架设计为\ textit {近似 - 敏感} - 也就是说,支持给定的工作流说明表示\ textit {可以}可以以不同方式执行的任务以下事实。这是解锁计算工作流程加速发现任务的潜力的关键,尤其是涉及大型实体空间搜索的任务。它将通过直接利用可用选择空间来有效地获得对一组约束的实体属性的测量。在本文中,我们描述了近似感知的工作流框架应提供的基本功能,如何在实践中实现这些功能,并说明了它将启用的一些强大功能,包括近似的回忆,代理模型支持以及自动化的工作流量组成。

The use of approximation is fundamental in computational science. Almost all computational methods adopt approximations in some form in order to obtain a favourable cost/accuracy trade-off and there are usually many approximations that could be used. As a result, when a researcher wishes to measure a property of a system with a computational technique, they are faced with an array of options. Current computational workflow frameworks focus on helping researchers automate a sequence of steps on a particular platform. The aim is often to obtain a computational measurement of a property. However these frameworks are unaware that there may be a large number of ways to do so. As such, they cannot support researchers in making these choices during development or at execution-time. We argue that computational workflow frameworks should be designed to be \textit{approximation-aware} - that is, support the fact that a given workflow description represents a task that \textit{could} be performed in different ways. This is key to unlocking the potential of computational workflows to accelerate discovery tasks, particularly those involving searches of large entity spaces. It will enable efficiently obtaining measurements of entity properties, given a set of constraints, by directly leveraging the space of choices available. In this paper we describe the basic functions that an approximation-aware workflow framework should provide, how those functions can be realized in practice, and illustrate some of the powerful capabilities it would enable, including approximate memoization, surrogate model support, and automated workflow composition.

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