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Explainable AI (xAI) interventions aim to improve interpretability for complex black-box models, not only to improve user trust but also as a means to extract scientific insights from high-performing predictive systems. In molecular…

Machine Learning · Computer Science 2025-04-04 Jonas Teufel , Annika Leinweber , Pascal Friederich

Explanations shed light on a machine learning model's rationales and can aid in identifying deficiencies in its reasoning process. Explanation generation models are typically trained in a supervised way given human explanations. When such…

Machine Learning · Computer Science 2021-09-09 Pepa Atanasova , Jakob Grue Simonsen , Christina Lioma , Isabelle Augenstein

Large language models (LLMs) have delivered significant breakthroughs across diverse domains but can still produce unreliable or misleading outputs, posing critical challenges for real-world applications. While many recent studies focus on…

Computation and Language · Computer Science 2025-09-08 Yang Nan , Pengfei He , Ravi Tandon , Han Xu

Counterfactual explanations (CEs) are a practical tool for demonstrating why machine learning classifiers make particular decisions. For CEs to be useful, it is important that they are easy for users to interpret. Existing methods for…

Machine Learning · Computer Science 2021-03-17 Lisa Schut , Oscar Key , Rory McGrath , Luca Costabello , Bogdan Sacaleanu , Medb Corcoran , Yarin Gal

Reasoning language models have set state-of-the-art (SOTA) records on many challenging benchmarks, enabled by multi-step reasoning induced using reinforcement learning. However, like previous language models, reasoning models are prone to…

Artificial Intelligence · Computer Science 2025-07-21 Zhiting Mei , Christina Zhang , Tenny Yin , Justin Lidard , Ola Shorinwa , Anirudha Majumdar

Plausibility is a formalization of exact tests for parametric models and generalizes procedures such as Fisher's exact test. The resulting tests are based on cumulative probabilities of the probability density function and evaluate…

Statistics Theory · Mathematics 2021-09-13 Stefan Böhringer , Dietmar Lohmann

In this paper we argue that, to its detriment, transparency research overlooks many foundational concepts of artificial intelligence. As an illustrating example we focus on uncertainty quantification in the context of counterfactual…

Machine Learning · Computer Science 2026-05-19 Kacper Sokol , Santo M. A. R. Thies , Eyke Hüllermeier

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

Reliable pattern recognition systems should exhibit consistent behavior across similar inputs, and their explanations should remain stable. However, most Explainable AI evaluations remain instance centric and do not explicitly quantify…

Artificial Intelligence · Computer Science 2026-04-07 Abu Noman Md Sakib , Zhensen Wang , Merjulah Roby , Zijie Zhang

As machine learning models are increasingly considered for high-stakes domains, effective explanation methods are crucial to ensure that their prediction strategies are transparent to the user. Over the years, numerous metrics have been…

Machine Learning · Computer Science 2025-04-14 Johannes Maeß , Grégoire Montavon , Shinichi Nakajima , Klaus-Robert Müller , Thomas Schnake

Quantitative characterizations and estimations of uncertainty are of fundamental importance in optimization and decision-making processes. Herein, we propose intuitive scores, which we call certainty and doubt, that can be used in both a…

Deep Learning of neural networks has progressively become more prominent in healthcare with models reaching, or even surpassing, expert accuracy levels. However, these success stories are tainted by concerning reports on the lack of model…

Machine Learning · Computer Science 2021-11-02 Matthew Watson , Bashar Awwad Shiekh Hasan , Noura Al Moubayed

State estimators often provide self-assessed uncertainty metrics, such as covariance matrices, whose credibility is critical for downstream tasks. However, these self-assessments can be misleading due to underlying modeling violations like…

Signal Processing · Electrical Eng. & Systems 2026-04-02 Penggao Yan , Xingqun Zhan , Rui Sun , Li-Ta Hsu

Seismic inversion is essential for geophysical exploration and geological assessment, but it is inherently subject to significant uncertainty. This uncertainty stems primarily from the limited information provided by observed seismic data,…

Geophysics · Physics 2024-09-12 Luping Qu , Mauricio Araya-Polo , Laurent Demanet

We introduce a novel uncertainty estimation for classification tasks for Bayesian convolutional neural networks with variational inference. By normalizing the output of a Softplus function in the final layer, we estimate aleatoric and…

Machine Learning · Computer Science 2019-05-15 Kumar Shridhar , Felix Laumann , Marcus Liwicki

Uncertainty may be taken to characterize inferences, their conclusions, their premises or all three. Under some treatments of uncertainty, the inferences itself is never characterized by uncertainty. We explore both the significance of…

Artificial Intelligence · Computer Science 2013-02-18 Henry E. Kyburg

In the current landscape of explanation methodologies, most predominant approaches, such as SHAP and LIME, employ removal-based techniques to evaluate the impact of individual features by simulating various scenarios with specific features…

Machine Learning · Computer Science 2023-10-23 Yifan Zhang , Haowei He , Zhiquan Tan , Yang Yuan

We present a critical survey on the consistency of uncertainty quantification used in deep learning and highlight partial uncertainty coverage and many inconsistencies. We then provide a comprehensive and statistically consistent framework…

Machine Learning · Computer Science 2026-01-14 Peter Jan van Leeuwen , J. Christine Chiu , C. Kevin Yang

Equivariant models leverage prior knowledge on symmetries to improve predictive performance, but misspecified architectural constraints can harm it instead. While work has explored learning or relaxing constraints, selecting among…

Machine Learning · Computer Science 2025-07-16 Putri A. van der Linden , Alexander Timans , Dharmesh Tailor , Erik J. Bekkers

Modelling uncertainty in Machine Learning models is essential for achieving safe and reliable predictions. Most research on uncertainty focuses on output uncertainty (predictions), but minimal attention is paid to uncertainty at inputs. We…

Machine Learning · Computer Science 2024-06-28 Matias Valdenegro-Toro , Ivo Pascal de Jong , Marco Zullich