Although the ongoing success of deep learning is remarkable, the increasing data, model and training algorithm complexity makeathorough understanding oftheir inner workings increasingly difficult.

C.1 2DSyntheticBenchmark For both benchmarks, we sample 500 observationsxi=(x1i,x2i)from each of the twoin-domain classes (orange and blue), and consider a deep architecture ResFFN-12-128, which contains 12 residual feedforward layers with 128 hidden units and dropout rate 0.01.

We develop a multilevel Monte Carlo (MLMC) framework for uncertainty quantification with Monte Carlo dropout. Treating dropout masks as a source of epistemic randomness, we define a fidelity hierarchy by the number of stochastic forward passes used to estimate predictive moments. We construct coupled coarse--fine estimators by reusing dropout masks across fidelities, yielding telescoping MLMC estimators for both predictive means and predictive variances that remain unbiased for the corresponding dropout-induced quantities while reducing sampling variance at fixed evaluation budget. We derive explicit bias, variance and effective cost expressions, together with sample-allocation rules across levels. Numerical experiments on forward and inverse PINNs--Uzawa benchmarks confirm the predicted variance rates and demonstrate efficiency gains over single-level MC-dropout at matched cost.

Identifying unfamiliar inputs, also known as out-of-distribution (OOD) detection, is a crucial property of any decision making process. A simple and empirically validated technique is based on deep ensembles where the variance of predictions over different neural networks acts as a substitute for input uncertainty. Nevertheless, a theoretical understanding of the inductive biases leading to the performance of deep ensemble's uncertainty estimation is missing. To improve our description of their behavior, we study deep ensembles with large layer widths operating in simplified linear training regimes, in which the functions trained with gradient descent can be described by the neural tangent kernel. We identify two sources of noise, each inducing a distinct inductive bias in the predictive variance at initialization. We further show theoretically and empirically that both noise sources affect the predictive variance of non-linear deep ensembles in toy models and realistic settings after training. Finally, we propose practical ways to eliminate part of these noise sources leading to significant changes and improved OOD detection in trained deep ensembles.

Accurate sensor placement is critical for modeling spatio-temporal systems such as environmental and climate processes. Neural Processes (NPs), particularly Convolutional Conditional Neural Processes (ConvCNPs), provide scalable probabilistic models with uncertainty estimates, making them well-suited for data-driven sensor placement. However, existing approaches rely on total predictive uncertainty, which conflates epistemic and aleatoric components, that may lead to suboptimal sensor selection in ambiguous regions. To address this, we propose expected reduction in epistemic uncertainty as a new acquisition function for sensor placement. To enable this, we extend ConvCNPs with a Mixture Density Networks (MDNs) output head for epistemic uncertainty estimation. Preliminary results suggest that epistemic uncertainty driven sensor placement more effectively reduces model error than approaches based on overall uncertainty.

Large amounts of labeled data are typically required to train deep learning models.