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Probabilistic predictions from neural networks which account for predictive uncertainty during classification is crucial in many real-world and high-impact decision making settings. However, in practice most datasets are trained on…

Machine Learning · Computer Science 2022-09-30 Satya Borgohain , Klaus Ackermann , Ruben Loaiza-Maya

This article describes SimEngine, an open-source R package for structuring, maintaining, running, and debugging statistical simulations on both local and cluster-based computing environments. Several R packages exist for structuring…

Computation · Statistics 2025-09-25 Avi Kenny , Charles J. Wolock

We present the first general purpose framework for marginal maximum a posteriori estimation of probabilistic program variables. By using a series of code transformations, the evidence of any probabilistic program, and therefore of any…

Machine Learning · Statistics 2017-07-17 Tom Rainforth , Tuan Anh Le , Jan-Willem van de Meent , Michael A. Osborne , Frank Wood

Gaussian process priors are a popular choice for Bayesian analysis of regression problems. However, the implementation of these models can be complex, and ensuring that the implementation is correct can be challenging. In this paper we…

Machine Learning · Computer Science 2021-10-29 John Mcleod , Fergus Simpson

Measurement error in a covariate or the outcome of regression models is common, but is often ignored, even though measurement error can lead to substantial bias in the estimated covariate-outcome association. While several texts on…

Methodology · Statistics 2021-02-10 Linda Nab , Maarten van Smeden , Ruth H. Keogh , Rolf H. H. Groenwold

Computer model calibration is a crucial step in building a reliable computer model. In the face of massive physical observations, a fast estimation for the calibration parameters is urgently needed. To alleviate the computational burden, we…

Statistics Theory · Mathematics 2022-11-24 Shurui Lv , Yan Wang , Jun Yu

Computational physics increasingly depends on large simulation datasets generated by software that remains under active development for many years. In such settings, reproducibility requires not only well documented data but also explicit…

Computational Physics · Physics 2026-04-30 Markus Uehlein , Tobias Held , Christopher Seibel , Lukas G. Jonda , Baerbel Rethfeld , Sebastian T. Weber

Computer simulation models are widely used to study complex physical systems. A related fundamental topic is the inverse problem, also called calibration, which aims at learning about the values of parameters in the model based on…

Methodology · Statistics 2024-01-03 Yang Li , Shifeng Xiong

We consider the statistical problem of estimating constituent curves from observations of their aggregated curves, referred to as aggregated functional data, in models with additive errors. A typical model arises in chemometrics via the…

Computation · Statistics 2026-04-07 Alex Rodrigo dos Santos Sousa , Vitor Ribas Perrone

Approximate Bayesian computation (ABC) is a family of computational techniques in Bayesian statistics. These techniques allow to fi t a model to data without relying on the computation of the model likelihood. They instead require to…

Statistics Theory · Mathematics 2018-12-27 Maxime Lenormand , Franck Jabot , Guillaume Deffuant

Advanced test-time computing strategies are essential for scaling reasoning models, but their effectiveness is capped by the models' poor self-evaluation. We propose a pairwise Explanatory Verifier, trained via reinforcement learning…

Artificial Intelligence · Computer Science 2025-09-25 Anisha Garg , Engin Tekin , Yash More , David Bick , Nishit Neema , Ganesh Venkatesh

Context: Experiment replications play a central role in the scientific method. Although software engineering experimentation has matured a great deal, the number of experiment replications is still relatively small. Software engineering…

Software Engineering · Computer Science 2024-02-13 Martín Solari , Sira Vegas , Natalia Juristo

Neural networks solving real-world problems are often required not only to make accurate predictions but also to provide a confidence level in the forecast. The calibration of a model indicates how close the estimated confidence is to the…

Neural and Evolutionary Computing · Computer Science 2023-03-21 Ruslan Vasilev , Alexander D'yakonov

The Bayesian approach to data analysis provides a powerful way to handle uncertainty in all observations, model parameters, and model structure using probability theory. Probabilistic programming languages make it easier to specify and fit…

Quality control in industrial processes is increasingly making use of prior scientific knowledge, often encoded in physical models that require numerical approximation. Statistical prediction, and subsequent optimization, is key to ensuring…

Other Statistics · Statistics 2018-10-23 Antony Overstall , David Woods , Kieran Martin

Due to their flexibility and superior performance, machine learning models frequently complement and outperform traditional statistical survival models. However, their widespread adoption is hindered by a lack of user-friendly tools to…

Approximate Bayesian computation (ABC) is an approach for sampling from an approximate posterior distribution in the presence of a computationally intractable likelihood function. A common implementation is based on simulating model,…

Methodology · Statistics 2013-01-16 D. Prangle , M. G. B. Blum , G. Popovic , S. A. Sisson

Statistical analysis is the tool of choice to turn data into information, and then information into empirical knowledge. To be valid, the process that goes from data to knowledge should be supported by detailed, rigorous guidelines, which…

Software Engineering · Computer Science 2024-10-03 Carlo A. Furia , Richard Torkar , Robert Feldt

PHYSBO (optimization tools for PHYSics based on Bayesian Optimization) is a Python library for fast and scalable Bayesian optimization. It has been developed mainly for application in the basic sciences such as physics and materials…

Computational Physics · Physics 2022-05-26 Yuichi Motoyama , Ryo Tamura , Kazuyoshi Yoshimi , Kei Terayama , Tsuyoshi Ueno , Koji Tsuda

Multivariate spatio-temporal data refers to multiple measurements taken across space and time. For many analyses, spatial and time components can be separately studied: for example, to explore the temporal trend of one variable for a single…

Computation · Statistics 2026-02-24 H. Sherry Zhang , Dianne Cook , Ursula Laa , Nicolas Langrené , Patricia Menéndez