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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…

Machine Learning · Computer Science 2019-10-09 Gabriele Scalia , Colin A. Grambow , Barbara Pernici , Yi-Pei Li , William H. Green

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…

Machine Learning · Statistics 2013-10-04 Peter Kovesarki , Ian C. Brock

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…

Robotics · Computer Science 2019-03-04 Björn Lütjens , Michael Everett , Jonathan P. How

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…

Machine Learning · Computer Science 2021-12-02 Johanna Rock , Tiago Azevedo , René de Jong , Daniel Ruiz-Muñoz , Partha Maji

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…

Machine Learning · Computer Science 2022-05-06 Kirill Fedyanin , Evgenii Tsymbalov , Maxim Panov

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…

Machine Learning · Computer Science 2022-02-08 Shin Ando

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…

High Energy Physics - Experiment · Physics 2022-10-12 Ritu Aggarwal , Allen Caldwell

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…

Machine Learning · Statistics 2023-11-28 Tobias Schröder , Zijing Ou , Jen Ning Lim , Yingzhen Li , Sebastian J. Vollmer , Andrew B. Duncan

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…

Plasma Physics · Physics 2021-05-27 Vishrut Jetly , Bhaskar Chaudhury

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…

Data Analysis, Statistics and Probability · Physics 2024-09-19 Owen Long , Benjamin Nachman

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…

Nuclear Theory · Physics 2017-12-27 G. F. Bertsch , Derek Bingham

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…

High Energy Physics - Phenomenology · Physics 2021-01-27 Weihua Yang

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…

Strongly Correlated Electrons · Physics 2023-01-11 Hui Shao , Anders W. Sandvik

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…

Econometrics · Economics 2026-04-30 Haoyuan Xu , Wei Miao , Geert Dhaene , Jad Beyhum

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…

Computation · Statistics 2026-05-19 Isaac Amouzou , Ben Seiyon Lee

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…

Systems and Control · Electrical Eng. & Systems 2024-07-25 Pan Zhao , Ziyao Guo , Yikun Cheng , Aditya Gahlawat , Hyungsoo Kang , Naira Hovakimyan

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…

Atomic Physics · Physics 2007-05-23 Peter Nicoletopoulos

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…

Computer Vision and Pattern Recognition · Computer Science 2025-06-05 Jinwei Zeng , Yu Liu , Guozhen Zhang , Jingtao Ding , Yuming Lin , Jian Yuan , Yong Li

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,…

Statistics Theory · Mathematics 2024-05-27 Hyemin Yeon , Xiongtao Dai , Daniel John Nordman
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