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Advances in deep neural network (DNN) based molecular property prediction have recently led to the development of models of remarkable accuracy and generalization ability, with graph convolution neural networks (GCNNs) reporting…
This article describes a multivariate polynomial regression method where the uncertainty of the input parameters are approximated with Gaussian distributions, derived from the central limit theorem for large weighted sums, directly from the…
Many current autonomous systems are being designed with a strong reliance on black box predictions from deep neural networks (DNNs). However, DNNs tend to be overconfident in predictions on unseen data and can give unpredictable results for…
Air quality monitoring in Italy relies on sparse, irregular, ground-based stations that provide high-quality but incomplete measurements of pollution. Chemical transport models (CTMs) offer full spatial and temporal coverage but smooth over…
Deep neural networks have shown great success in prediction quality while reliable and robust uncertainty estimation remains a challenge. Predictive uncertainty supplements model predictions and enables improved functionality of downstream…
Uncertainty estimation for machine learning models is of high importance in many scenarios such as constructing the confidence intervals for model predictions and detection of out-of-distribution or adversarially generated points. In this…
This paper proposes a deep representation learning using an information-theoretic loss with an aim to increase the inter-class distances as well as within-class similarity in the embedded space. Tasks such as anomaly and out-of-distribution…
In this paper we present a technique to reconstruct the scaling variables defining $ep$ deep inelastic scattering by performing a kinematic fit. This reconstruction technique makes use of the full potential of the data collected. It is…
Energy-based models are a simple yet powerful class of probabilistic models, but their widespread adoption has been limited by the computational burden of training them. We propose a novel loss function called Energy Discrepancy (ED) which…
Electron-neutral scattering cross sections are fundamental quantities in simulations of low temperature plasmas used for many technological applications today. From these microscopic cross sections, several macro-scale quantities (called…
Many analyses in particle and nuclear physics use simulations to infer fundamental, effective, or phenomenological parameters of the underlying physics models. When the inference is performed with unfolded cross sections, the observables…
We propose using the frequency-domain bootstrap (FDB) to estimate errors of modeling parameters when the modeling error is itself a major source of uncertainty. Unlike the usual bootstrap or the simple $\chi^2$ analysis, the FDB can take…
We present a systematic calculation of the charged current semi-inclusive deeply inelastic scattering process at leading order twist-3 level in the parton model. We consider the general form of the negatively charged beam scattering off the…
We report multipronged progress on the stochastic averaging approach to numerical analytic continuation of quantum Monte Carlo data. With the sampled spectrum parametrized with delta-functions in continuous frequency space, a calculation of…
The maximum likelihood estimator in nonlinear panel data models with interactive fixed effects is biased. Several bias correction methods, such as analytical and jackknife approaches, have been proposed to enable valid inference. This paper…
Spatially referenced datasets have become increasingly prevalent across many fields, largely driven by advances in data collection methods such as satellite remote sensing. In many applications, predictions at unobserved locations are…
This paper presents an approach to trajectory-centric learning control based on contraction metrics and disturbance estimation for nonlinear systems subject to matched uncertainties. The approach uses deep neural networks to learn uncertain…
The variation with energy of the total cross section for elastic electron scattering from atoms of several elements is caused primarily by shape resonances corresponding to the formation of temporary negative ions. It is shown that such…
Accurately estimating high-resolution carbon emissions is crucial for effective emission governance and mitigation planning. While conventional methods for precise carbon accounting are hindered by substantial data collection efforts, the…
Inference for functional linear models in the presence of heteroscedastic errors has received insufficient attention given its practical importance; in fact, even a central limit theorem has not been studied in this case. At issue,…