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Proper quantification of predictive uncertainty is essential for the use of machine learning in safety-critical applications. Various uncertainty measures have been proposed for this purpose, typically claiming superiority over other…

Machine Learning · Computer Science 2025-12-16 Paul Hofman , Yusuf Sale , Eyke Hüllermeier

Large language models (LLMs), trained on vast datasets, encode extensive real-world knowledge within their parameters, yet their black-box nature obscures the mechanisms and extent of this encoding. Surrogate modeling, which uses simplified…

Computation and Language · Computer Science 2026-04-24 Changho Han , Songsoo Kim , Dong Won Kim , Leo Anthony Celi , Jaewoong Kim , SungA Bae , Dukyong Yoon

Model uncertainty is a crucial issue in statistics, econometrics and machine learning, yet its definition remains ambiguous and is subject to various interpretations in the literature. So far, there has not been a universally accepted…

Methodology · Statistics 2025-08-12 Guangyuan Cui , Yuting Wei , Xinyu Zhang

The decision-making process of many state-of-the-art machine learning models is inherently inscrutable to the extent that it is impossible for a human to interpret the model directly: they are black box models. This has led to a call for…

Information Retrieval · Computer Science 2019-07-09 Ilse van der Linden , Hinda Haned , Evangelos Kanoulas

Uncertainty estimation bears the potential to make deep learning (DL) systems more reliable. Standard techniques for uncertainty estimation, however, come along with specific combinations of strengths and weaknesses, e.g., with respect to…

Machine Learning · Computer Science 2022-05-02 Joachim Sicking , Maram Akila , Jan David Schneider , Fabian Hüger , Peter Schlicht , Tim Wirtz , Stefan Wrobel

Machine learning models have had discernible achievements in a myriad of applications. However, most of these models are black-boxes, and it is obscure how the decisions are made by them. This makes the models unreliable and untrustworthy.…

Machine Learning · Computer Science 2020-03-23 Raha Moraffah , Mansooreh Karami , Ruocheng Guo , Adrienne Raglin , Huan Liu

Language models can learn a range of capabilities from unsupervised training on text corpora. However, to solve a particular problem (such as text summarization) it is typically necessary to fine-tune them on a task-specific dataset. It is…

Computation and Language · Computer Science 2022-03-16 Adam Gleave , Geoffrey Irving

Complex black-box predictive models may have high performance, but lack of interpretability causes problems like lack of trust, lack of stability, sensitivity to concept drift. On the other hand, achieving satisfactory accuracy of…

Machine Learning · Computer Science 2020-02-12 Alicja Gosiewska , Przemyslaw Biecek

Statistical learning algorithms provide a generally-applicable framework to sidestep time-consuming experiments, or accurate physics-based modeling, but they introduce a further source of error on top of the intrinsic limitations of the…

Chemical Physics · Physics 2024-05-17 Matthias Kellner , Michele Ceriotti

The rapid evolution of machine learning (ML) has led to the widespread adoption of complex "black box" models, such as deep neural networks and ensemble methods. These models exhibit exceptional predictive performance, making them…

Machine Learning · Computer Science 2025-03-28 Moncef Garouani , Josiane Mothe , Ayah Barhrhouj , Julien Aligon

Ensemble forecasting is, so far, the most successful approach to produce relevant forecasts with an estimation of their uncertainty. The main limitations of ensemble forecasting are the high computational cost and the difficulty to capture…

Machine Learning · Computer Science 2022-12-21 Maximiliano A. Sacco , Juan J. Ruiz , Manuel Pulido , Pierre Tandeo

Given that machine learning algorithms are increasingly being deployed to aid in high stakes decision-making, uncertainty quantification methods that wrap around these black box models such as conformal prediction have received much…

Machine Learning · Statistics 2026-02-09 Kayla E. Scharfstein , Arun Kumar Kuchibhotla

In this paper, we propose standard statistical tools as a solution to commonly highlighted problems in the explainability literature. Indeed, leveraging statistical estimators allows for a proper definition of explanations, enabling…

Machine Learning · Statistics 2024-05-01 Valentina Ghidini

Uncertainty estimation is essential to make neural networks trustworthy in real-world applications. Extensive research efforts have been made to quantify and reduce predictive uncertainty. However, most existing works are designed for…

Machine Learning · Computer Science 2022-10-07 Myong Chol Jung , He Zhao , Joanna Dipnall , Belinda Gabbe , Lan Du

For applications of machine learning in critical decisions, explainability is a primary concern, and often a regulatory requirement. Local linear methods for generating explanations, such as LIME and SHAP, have been criticized for being…

Machine Learning · Computer Science 2026-03-25 Joseph L. Breeden

As machine learning (ML) methods continue to be applied to a broad scope of problems in the physical sciences, uncertainty quantification is becoming correspondingly more important for their robust application. Uncertainty aware machine…

In this paper, we study the problem of uncertainty estimation and calibration for LLMs. We begin by formulating the uncertainty estimation problem, a relevant yet underexplored area in existing literature. We then propose a supervised…

Machine Learning · Computer Science 2024-10-24 Linyu Liu , Yu Pan , Xiaocheng Li , Guanting Chen

Using Machine Learning systems in the real world can often be problematic, with inexplicable black-box models, the assumed certainty of imperfect measurements, or providing a single classification instead of a probability distribution. This…

Machine Learning · Computer Science 2023-07-11 Jonathan S. Kent , David H. Menager

Surrogate models (including deep neural networks and other machine learning algorithms in supervised learning) are capable of approximating arbitrarily complex, high-dimensional input-output problems in science and engineering, but require…

Machine Learning · Computer Science 2025-12-17 Miguel Sánchez-Domínguez , Lucas Lacasa , Javier de Vicente , Gonzalo Rubio , Eusebio Valero

Interpretability, trustworthiness, and usability are key considerations in high-stake security applications, especially when utilizing deep learning models. While these models are known for their high accuracy, they behave as black boxes in…

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