大数据有多大?
Daniel Speckhard1,2, Tim Bechtel1,2, Luca M Ghiringhelli3
1Physics Department and CSMB, Humboldt-Universität zu Berlin, Zum Großen Windkanal 2, 12489 Berlin, Germany. claudia.draxl@physik.hu-berlin.de.
Faraday discussions
|September 24, 2024
概括
材料科学中的大数据机器学习提出了超出数量范围的挑战,包括数据质量,真实性和基础设施. 解决这些问题对于在现场推进预测建模至关重要.
科学领域:
- 材料科学 材料科学 材料科学
- 计算机科学 计算机科学
- 数据科学数据科学数据科学
背景情况:
- 机器学习模型越来越多地用于材料科学中的预测任务.
- "大数据"在这个领域的定义和含义需要仔细研究.
研究的目的:
- 在材料科学机器学习的背景下定义"大数据".
- 调查与数据量,质量,真实性和基础设施相关的挑战.
- 探索模型概括,数据聚合,特征工程和计算要求.
主要方法:
- 分析典型的材料科学机器学习问题.
- 评估跨数据集的模型概括.
- 从异质来源收集高质量的数据的案例研究.
- 评估特征集和模型复杂性对表现力的影响.
- 检查大型数据和模型培训的基础设施需求.
主要成果:
- 材料科学中的"大数据"涉及数据量,质量和真实性的复杂相互作用.
- 模型的概括与数据集特征有很大差异.
- 不同质的数据源的有效聚合是具有挑战性的,但可行的.
- 特性工程和模型复杂性对于预测准确性至关重要.
- 需要大量的基础设施来管理和培训大型材料数据集.
结论:
- 材料科学中的大数据机器学习带来了多方面的挑战.
- 需要进一步的研究来解决数据质量,基础设施和模型开发问题.
- 优化数据处理和模型训练对于释放预测潜力的必要.
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