针对受污染数据的完全无监督异常检测的通用机器学习框架

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-01-26 DOI:10.36001/ijphm.2024.v15i1.3589
Markus Ulmer, Jannik Zgraggen, L. G. Huber
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引用次数: 0

摘要

在各种领域和应用中,异常检测(AD)任务都是通过机器学习算法来解决的。这些算法中的绝大多数都使用正常数据来训练基于残差的模型,并根据未见样本与所学正常机制的不相似性为其分配异常分数。这些方法的基本假设是,无异常数据可用于训练。然而,在实际操作环境中,情况往往并非如此,训练数据可能会受到一部分异常样本的污染。反过来,使用受污染的数据进行训练必然会导致基于残差的算法的 AD 性能下降。在本文中,我们介绍了一个框架,用于在完全无监督的情况下完善 AD 任务中受污染的训练数据。该框架具有通用性,可应用于任何基于残差的机器学习模型。我们在两个来自不同应用领域的多变量时间序列机器数据的公共数据集上演示了该框架的应用。我们展示了其明显优于使用污染数据进行训练而不进行细化的天真方法。此外,我们还将其与理想的、不现实的参考方法进行了比较,在后者中,无异常数据可用于训练。由于该方法利用的是异常信息,而不仅仅是正常状态下的信息,因此与理想的基准线不相上下,而且往往更胜一筹。
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Generic Machine Learning Framework for Fully-Unsupervised Anomaly Detection with Contaminated Data
Anomaly detection (AD) tasks have been solved using machine learning algorithms in various domains and applications. The great majority of these algorithms use normal data to train a residual-based model, and assign anomaly scores to unseen samples based on their dissimilarity with the learned normal regime. The underlying assumption of these approaches is that anomaly-free data is available for training. This is, however, often not the case in real-world operational settings, where the training data may be contaminated with a certain fraction of abnormal samples. Training with contaminated data, in turn, inevitably leads to a deteriorated AD performance of the residual-based algorithms. In this paper we introduce a framework for a fully unsupervised refinement of contaminated training data for AD tasks. The framework is generic and can be applied to any residual-based machine learning model. We demonstrate the application of the framework to two public datasets of multivariate time series machine data from different application fields. We show its clear superiority over the naive approach of training with contaminated data without refinement. Moreover, we compare it to the ideal, unrealistic reference in which anomaly-free data would be available for training. Since the approach exploits information from the anomalies, and not only from the normal regime, it is comparable and often outperforms the ideal baseline as well.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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