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Sources of Uncertainty in Machine Learning -- A Statisticians' View (2305.16703v1)

Published 26 May 2023 in stat.ML and cs.LG

Abstract: Machine Learning and Deep Learning have achieved an impressive standard today, enabling us to answer questions that were inconceivable a few years ago. Besides these successes, it becomes clear, that beyond pure prediction, which is the primary strength of most supervised machine learning algorithms, the quantification of uncertainty is relevant and necessary as well. While first concepts and ideas in this direction have emerged in recent years, this paper adopts a conceptual perspective and examines possible sources of uncertainty. By adopting the viewpoint of a statistician, we discuss the concepts of aleatoric and epistemic uncertainty, which are more commonly associated with machine learning. The paper aims to formalize the two types of uncertainty and demonstrates that sources of uncertainty are miscellaneous and can not always be decomposed into aleatoric and epistemic. Drawing parallels between statistical concepts and uncertainty in machine learning, we also demonstrate the role of data and their influence on uncertainty.

Examination of Uncertainty in Machine Learning Through a Statistical Lens

The paper "Sources of Uncertainty in Machine Learning - A Statisticians’ View" by Cornelia Gruber et al. provides a comprehensive statistical perspective on the various sources and types of uncertainty inherent in machine learning models, with a particular focus on supervised learning algorithms. The authors emphasize the significance of uncertainty quantification to complement the primary predictive capabilities of machine learning models, specifically in fields where reliability is critical.

The paper delineates the two primary types of uncertainty commonly discussed in machine learning contexts: aleatoric and epistemic uncertainty. Aleatoric uncertainty pertains to variability inherent in the data, such as measurement noise or randomness, and is generally considered irreducible without additional information. Epistemic uncertainty, on the other hand, is associated with a lack of knowledge and can be potentially reduced by acquiring more data or refining the model's hypothesis space.

A statistical examination of these uncertainties is undertaken, showing that while aleatoric uncertainty can be framed in terms of probability distributions, epistemic uncertainty often resides in the model parameters and the choice of hypothesis class. The paper challenges the straightforward dichotomy between these types of uncertainties by illustrating instances where decomposing total model uncertainty into aleatoric and epistemic components is non-trivial due to overlapping influences.

Additionally, the paper explores the concept of uncertainty in data collection and quality. It identifies several contributors to model uncertainty, such as omitted variables, measurement errors, and non-i.i.d. data structures. The authors further elaborate on how missing data and distribution shifts during deployment can elevate uncertainty, potentially affecting model performance. They reference methods such as total survey error and simulation-based approaches as frameworks and tools that can aid in understanding and managing data uncertainties.

Importantly, the authors question the current state of uncertainty quantification in machine learning and imply the necessity for an evolved understanding that aligns more closely with statistical rigor. This involves utilizing frameworks like the Kullback-Leibler divergence for evaluating model fit and acknowledging the complicating impacts of overparameterized models typical in deep learning settings. They underscore the pressing need to integrate more formal methods of uncertainty quantification into machine learning practices, particularly for deployment in dynamic real-world scenarios.

The paper suggests that future developments could focus on refining the statistical foundations of uncertainty quantification while exploring connections to related fields such as causal inference and fairness in machine learning. Expanding the discourse on uncertainty can lead to more robust models capable of not only accurate predictions but also reliable self-assessment of their prediction confidence.

In conclusion, Gruber et al. provide a detailed statistical dissection of uncertainty in machine learning that critiques existing paradigms and shines light on overlooked aspects such as data quality and model assumptions. Their work advocates for a nuanced view that integrates advanced statistical tools to address uncertainty, thereby paving the way for more resilient and trustworthy machine learning applications.

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Authors (5)
  1. Cornelia Gruber (1 paper)
  2. Patrick Oliver Schenk (2 papers)
  3. Malte Schierholz (4 papers)
  4. Frauke Kreuter (25 papers)
  5. Göran Kauermann (44 papers)
Citations (33)