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Scientific discovery as a combinatorial optimisation problem: How best to navigate the landscape of possible experiments?

机译:科学发现是组合优化问题:如何最好地浏览可能的实验情况?

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摘要

A considerable number of areas of bioscience, including gene and drug discovery, metabolic engineering for the biotechnological improvement of organisms, and the processes of natural and directed evolution, are best viewed in terms of a ‘landscape’ representing a large search space of possible solutions or experiments populated by a considerably smaller number of actual solutions that then emerge. This is what makes these problems ‘hard’, but as such these are to be seen as combinatorial optimisation problems that are best attacked by heuristic methods known from that field. Such landscapes, which may also represent or include multiple objectives, are effectively modelled in silico, with modern active learning algorithms such as those based on Darwinian evolution providing guidance, using existing knowledge, as to what is the ‘best’ experiment to do next. An awareness, and the application, of these methods can thereby enhance the scientific discovery process considerably. This analysis fits comfortably with an emerging epistemology that sees scientific reasoning, the search for solutions, and scientific discovery as Bayesian processes.
机译:最好从“景观”的角度看待生物科学的许多领域,包括基因和药物发现,用于生物体生物技术改进的代谢工程以及自然和定向进化的过程,代表了可能解决方案的广阔搜索空间或由数量较少的实际解决方案构成的实验。这就是使这些问题变得“困难”的原因,因此,这些问题应被视为组合优化问题,最好通过该领域已知的启发式方法来解决。可以用计算机有效地模拟这样的景观,这些景观也可能代表或包含多个目标,并利用现代主动学习算法(例如基于达尔文进化论的主动学习算法),利用现有知识为下一步的“最佳”实验提供指导。对这些方法的了解和应用可以大大增强科学发现过程。这种分析很适合新兴的认识论,后者将科学推理,寻找解决方案和科学发现视为贝叶斯过程。

著录项

  • 作者

    Kell, Douglas B;

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  • 年度 2012
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  • 原文格式 PDF
  • 正文语种 {"code":"en","name":"English","id":9}
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