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This paper introduces a novel uncertainty quantification framework for regression models where the response takes values in a separable metric space, and the predictors are in a Euclidean space. The proposed algorithms can efficiently…
Irradiation-induced void swelling is a critical degradation mechanism for structural materials in nuclear reactors, dictating component operational lifespan and safety. While recent machine learning (ML) approaches have improved the…
Uncertainty estimation is an essential and heavily-studied component for the reliable application of semantic segmentation methods. While various studies exist claiming methodological advances on the one hand, and successful application on…
Uncertainty estimations for machine learning interatomic potentials (MLIPs) are crucial for quantifying model error and identifying informative training samples in active learning strategies. In this study, we evaluate uncertainty…
Generalized linear models (GLMs) are fundamental tools for statistical modeling, with maximum likelihood estimation (MLE) serving as the classical approach for parameter inference. While MLE performs well for canonical GLMs, it can become…
When systems use data-based models that are based on machine learning (ML), errors in their results cannot be ruled out. This is particularly critical if it remains unclear to the user how these models arrived at their decisions and if…
Throughout the life sciences we routinely seek to interpret measurements and observations using parameterised mechanistic mathematical models. A fundamental and often overlooked choice in this approach involves relating the solution of a…
In machine learning (ML) verification, the majority of procedures are non-quantitative and therefore cannot be used for verifying probabilistic models, or be applied in domains where hard guarantees are practically unachievable. The…
Predictions and forecasts of machine learning models should take the form of probability distributions, aiming to increase the quantity of information communicated to end users. Although applications of probabilistic prediction and…
Large language model (LLM) evaluations often assume there is a single correct response -- a gold label -- for each item in the evaluation corpus. However, some tasks can be ambiguous -- i.e., they provide insufficient information to…
In order to understand underlying processes governing environmental and physical processes, and predict future outcomes, a complex computer model is frequently required to simulate these dynamics. However there is inevitably uncertainty…
Neural Linear Models (NLM) are deep Bayesian models that produce predictive uncertainty by learning features from the data and then performing Bayesian linear regression over these features. Despite their popularity, few works have focused…
Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…
The potential of Machine Learning Control (MLC) in HVAC systems is hindered by its opaque nature and inference mechanisms, which is challenging for users and modelers to fully comprehend, ultimately leading to a lack of trust in MLC-based…
The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that…
Quantifying uncertainties for machine learning (ML) models is a foundational challenge in modern data analysis. This challenge is compounded by at least two key aspects of the field: (a) inconsistent terminology surrounding uncertainty and…
Many important problems in the real world don't have unique solutions. It is thus important for machine learning models to be capable of proposing different plausible solutions with meaningful probability measures. In this work we introduce…
Vision-Language Models (VLMs) have emerged as the dominant approach for zero-shot recognition, adept at handling diverse scenarios and significant distribution changes. However, their deployment in risk-sensitive areas requires a deeper…
The inability of Machine Learning (ML) models to successfully extrapolate correct predictions from out-of-distribution (OoD) samples is a major hindrance to the application of ML in critical applications. Until the generalization ability of…
The recent performance leap of Large Language Models (LLMs) opens up new opportunities across numerous industrial applications and domains. However, erroneous generations, such as false predictions, misinformation, and hallucination made by…