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Estimating health benefits of reducing fossil fuel use from improved air quality provides important rationales for carbon emissions abatement. Simulating pollution concentration is a crucial step of the estimation, but traditional…

Deep learning models frequently make incorrect predictions with high confidence when presented with test examples that are not well represented in their training dataset. We propose a novel and straightforward approach to estimate…

Uncertainty quantification (UQ) is a vital step in using mathematical models and simulations to take decisions. The field of cardiac simulation has begun to explore and adopt UQ methods to characterise uncertainty in model inputs and how…

Turbulent flows are of central importance across applications in science and engineering problems. For design and analysis, scientists and engineers use Computational Fluid Dynamics (CFD) simulations using turbulence models. Turbulent…

Uncertainty quantification for complex deep learning models is increasingly important as these techniques see growing use in high-stakes, real-world settings. Currently, the quality of a model's uncertainty is evaluated using…

Large molecular representation models pre-trained on massive unlabeled data have shown great success in predicting molecular properties. However, these models may tend to overfit the fine-tuning data, resulting in over-confident predictions…

Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are appealing due to their thermodynamic consistency with the…

This paper presents an engine able to forecast jointly the concentrations of the main pollutants harming people's health: nitrogen dioxide (NO2), ozone (O3) and particulate matter (PM2.5 and PM10, which are respectively the particles whose…

Water quality is foundational to environmental sustainability, ecosystem resilience, and public health. Deep learning offers transformative potential for large-scale water quality prediction and scientific insights generation. However,…

Chemical transport models (CTMs) have been widely used to provide instructions for the control of ozone (O3) pollution. However, we find large discrepancies between observation- and model-based urban O3 chemical regimes: volatile organic…

Existing deep neural network based salient object detection (SOD) methods mainly focus on pursuing high network accuracy. However, those methods overlook the gap between network accuracy and prediction confidence, known as the confidence…

Evidential occupancy grid maps (OGMs) are a popular representation of the environment of automated vehicles. Inverse sensor models (ISMs) are used to compute OGMs from sensor data such as lidar point clouds. Geometric ISMs show a limited…

Robust quantification of predictive uncertainty is critical for understanding factors that drive weather and climate outcomes. Ensembles provide predictive uncertainty estimates and can be decomposed physically, but both physics and machine…

Surface roughness is a crucial factor influencing the performance and functionality of additive manufactured components. Accurate prediction of surface roughness is vital for optimizing manufacturing processes and ensuring the quality of…

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be…

Uncertainty quantification (UQ) is crucial in safety-critical applications such as medical image segmentation. Total uncertainty is typically decomposed into data-related aleatoric uncertainty (AU) and model-related epistemic uncertainty…

Reliability is of paramount importance for the physical layer of wireless systems due to its decisive impact on end-to-end performance. However, the uncertainty of prevailing deep learning (DL)-based physical layer algorithms is hard to…

Air Quality Multi-sensors Systems (AQMS) are IoT devices based on low cost chemical microsensors array that recently have showed capable to provide relatively accurate air pollutant quantitative estimations. Their availability permits to…

Uncertainty quantification (UQ) is an essential tool for applying deep neural networks (DNNs) to real world tasks, as it attaches a degree of confidence to DNN outputs. However, despite its benefits, UQ is often left out of the standard DNN…

While Deep Neural Networks (DNNs) achieve state-of-the-art accuracy in various applications, they often fall short in accurately estimating their predictive uncertainty and, in turn, fail to recognize when these predictions may be wrong.…