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Benchmarking studies in computational chemistry use reference datasets to assess the accuracy of a method through error statistics. The commonly used error statistics, such as the mean signed and mean unsigned errors, do not inform…

Chemical Physics · Physics 2018-03-19 Pascal Pernot , Andreas Savin

Conformal prediction provides model-agnostic and distribution-free uncertainty quantification through prediction sets that are guaranteed to include the ground truth with any user-specified probability. Yet, conformal prediction is not…

Machine Learning · Computer Science 2025-03-18 Yan Scholten , Stephan Günnemann

We study the generalization performance of online learning algorithms trained on samples coming from a dependent source of data. We show that the generalization error of any stable online algorithm concentrates around its regret--an easily…

Machine Learning · Statistics 2012-06-08 Alekh Agarwal , John C. Duchi

This paper develops a unified framework for estimating continuous outcomes under multiple treatment levels in observational studies. We integrate the Generalized Propensity Score (GPS), Covariate Balancing Propensity Score (CBPS), and…

Methodology · Statistics 2025-09-22 Byeonghee Lee , Joonsung Kang

Probabilistic forecasts in the form of ensemble of scenarios are required for complex decision making processes. Ensemble forecasting systems provide such products but the spatio-temporal structures of the forecast uncertainty is lost when…

Applications · Statistics 2016-12-21 Zied Ben Bouallegue , Tobias Heppelmann , Susanne E. Theis , Pierre Pinson

Accurate production forecasts are essential to continue facilitating the integration of renewable energy sources into the power grid. This paper illustrates how to obtain probabilistic day-ahead forecasts of wind power generation via…

Machine Learning · Computer Science 2026-02-16 Max Bruninx , Diederik van Binsbergen , Timothy Verstraeten , Ann Nowé , Jan Helsen

A major technique in learning-augmented online algorithms is combining multiple algorithms or predictors. Since the performance of each predictor may vary over time, it is desirable to use not the single best predictor as a benchmark, but…

Machine Learning · Computer Science 2023-12-19 Antonios Antoniadis , Christian Coester , Marek Eliáš , Adam Polak , Bertrand Simon

Generating models from large data sets -- and determining which subsets of data to mine -- is becoming increasingly automated. However choosing what data to collect in the first place requires human intuition or experience, usually supplied…

Computers and Society · Computer Science 2014-05-20 Josh C. Bongard , Paul D. H. Hines , Dylan Conger , Peter Hurd , Zhenyu Lu

Selective prediction, where a model has the option to abstain from making a decision, is crucial for machine learning applications in which mistakes are costly. In this work, we focus on distributional regression and introduce a framework…

Statistics Theory · Mathematics 2025-04-01 Ahmed Zaoui , Clément Dombry

The weighted average is by far the most popular approach to combining multiple forecasts of some future outcome. This paper shows that both for probability or real-valued forecasts, a non-trivial weighted average of different forecasts is…

Methodology · Statistics 2015-09-28 Ville Satopää , Lyle Ungar

Spatial prediction is commonly achieved under the assumption of a Gaussian random field (GRF) by obtaining maximum likelihood estimates of parameters, and then using the kriging equations to arrive at predicted values. For massive datasets,…

Methodology · Statistics 2021-07-20 Karl T. Pazdernik , Ranjan Maitra

We present a new method, "kairosis", for aggregating probability forecasts made over a time period of a single outcome determined at the end of that period. Informed by work on Bayesian change-point detection, we begin by constructing for…

Applications · Statistics 2025-03-31 Zane Hassoun , Ben Powell , Niall MacKay

Accurate prediction of electricity prices is crucial for stakeholders in the energy market, particularly for grid operators, energy producers, and consumers. This study focuses on developing a predictive model leveraging Long Short-Term…

Machine Learning · Computer Science 2025-10-21 Salih Salihoglu , Ibrahim Ahmed , Afshin Asadi

Conformal Prediction (CP) serves as a robust framework that quantifies uncertainty in predictions made by Machine Learning (ML) models. Unlike traditional point predictors, CP generates statistically valid prediction regions, also known as…

Machine Learning · Computer Science 2024-03-29 A. A. Balinsky , A. D. Balinsky

Bayesian predictive synthesis (BPS) provides a method for combining multiple predictive distributions based on agent/expert opinion analysis theory and encompasses a range of existing density forecast pooling methods. The key ingredient in…

Econometrics · Economics 2023-11-22 Tony Chernis , Niko Hauzenberger , Florian Huber , Gary Koop , James Mitchell

Loss reserving generally focuses on identifying a single model that can generate superior predictive performance. However, different loss reserving models specialise in capturing different aspects of loss data. This is recognised in…

Methodology · Statistics 2024-06-04 Benjamin Avanzi , Yanfeng Li , Bernard Wong , Alan Xian

Observational cohort studies with oversampled exposed subjects are typically implemented to understand the causal effect of a rare exposure. Because the distribution of exposed subjects in the sample differs from the source population,…

Methodology · Statistics 2019-02-14 Sherri Rose

Machine learning models have shown great success in predicting weather up to two weeks ahead, outperforming process-based benchmarks. However, existing approaches mostly focus on the prediction task, and do not incorporate the necessary…

Probabilistic encoding introduces Gaussian noise into neural networks, enabling a smooth transition from deterministic to uncertain states and enhancing generalization ability. However, the randomness of Gaussian noise distorts point-based…

Machine Learning · Computer Science 2025-07-24 Pengjiu Xia , Yidian Huang , Wenchao Wei , Yuwen Tan

We are interested in probabilistic prediction in online settings in which data does not follow a probability distribution. Our work seeks to achieve two goals: (1) producing valid probabilities that accurately reflect model confidence; and…

Machine Learning · Computer Science 2024-06-06 Shachi Deshpande , Charles Marx , Volodymyr Kuleshov
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