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First-principles statistical mechanics enables the prediction of thermodynamic and kinetic properties of materials, but is computationally expensive. Many approaches require surrogate models to calculate energies within Monte Carlo or…

Statistical Mechanics · Physics 2025-09-10 Derick E. Ober , Sesha Sai Behara , Anton Van der Ven

To get Bayesian neural networks to perform comparably to standard neural networks it is usually necessary to artificially reduce uncertainty using a "tempered" or "cold" posterior. This is extremely concerning: if the prior is accurate,…

Machine Learning · Statistics 2021-04-28 Laurence Aitchison

The implementation of Bayesian predictive procedures under standard normal models is considered. Two distributions are of particular interest, the K-prime and K-square distributions. They also give exact inferences for simple and multiple…

Methodology · Statistics 2020-07-17 Jacques Poitevineau , Bruno Lecoutre

Since the turn of the century, approximate Bayesian inference has steadily evolved as new computational techniques have been incorporated to handle increasingly complex and large-scale predictive problems. The recent success of deep neural…

Machine Learning · Statistics 2026-01-14 Roy Shivam Ram Shreshtth , Arnab Hazra , Gourab Mukherjee

Clinical prediction models provide a prediction (e.g., estimated risk) for each individual, typically expressed as a point estimate derived from a deterministic function such as a logistic regression equation. Such 'plug-in' predictions…

Methodology · Statistics 2026-05-20 Mohsen Sadatsafavi , Richard D. Riley

We propose a Bayesian shrinkage rule to estimate the wavelet coefficients in a nonparametric regression model with Gaussian errors, based on a mixture of a point mass function at zero and a symmetric, zero-centered raised cosine…

Methodology · Statistics 2025-07-16 Juliana Marchesi Reina , Alex Rodrigo dos Santos Sousa

Cryo-electron microscopy (cryo-EM) has become a tool of fundamental importance in structural biology, helping us understand the basic building blocks of life. The algorithmic challenge of cryo-EM is to jointly estimate the unknown 3D poses…

Computer Vision and Pattern Recognition · Computer Science 2022-09-01 Axel Levy , Frédéric Poitevin , Julien Martel , Youssef Nashed , Ariana Peck , Nina Miolane , Daniel Ratner , Mike Dunne , Gordon Wetzstein

We study the rate of Bayesian consistency for hierarchical priors consisting of prior weights on a model index set and a prior on a density model for each choice of model index. Ghosal, Lember and Van der Vaart [2] have obtained general…

Statistics Theory · Mathematics 2008-09-23 Yang Xing

The recent improvements in cryo-electron microscopy (cryo-EM) in the past few years are now allowing to observe molecular complexes at atomic resolution. As a consequence, numerous structures derived from cryo-EM are now available in the…

Biomolecules · Quantitative Biology 2020-05-04 Mikael Trellet , Gydo van Zundert , Alexandre M. J. J. Bonvin

We describe an efficient implementation of Bayesian quantum phase estimation in the presence of noise and multiple eigenstates. The main contribution of this work is the dynamic switching between different representations of the phase…

Quantum Physics · Physics 2021-06-09 Ewout van den Berg

Previous Bayesian evaluations of the Conway-Maxwell-Poisson (COM-Poisson) distribution have little discussion of non- and weakly-informative priors for the model. While only considering priors with such limited information restricts…

Methodology · Statistics 2023-12-01 Mark J. Meyer , Amia Graye , Kimberly F. Sellers

The advent of Scientific Machine Learning has heralded a transformative era in scientific discovery, driving progress across diverse domains. Central to this progress is uncovering scientific laws from experimental data through symbolic…

Methodology · Statistics 2025-09-25 Somjit Roy , Pritam Dey , Debdeep Pati , Bani K. Mallick

Prior design is one of the most important problems in both statistics and machine learning. The cross validation (CV) and the widely applicable information criterion (WAIC) are predictive measures of the Bayesian estimation, however, it has…

Machine Learning · Computer Science 2015-03-30 Sumio Watanabe

Across the empirical sciences, few statistical procedures rival the popularity of the frequentist t-test. In contrast, the Bayesian versions of the t-test have languished in obscurity. In recent years, however, the theoretical and practical…

Methodology · Statistics 2018-12-17 Quentin F. Gronau , Alexander Ly , Eric-Jan Wagenmakers

Understanding complex biological macromolecules, especially proteins, is vital for grasping their diverse chemical functions with direct impact in biology and pharmacology. While techniques like X-ray crystallography and cryo-electron…

Biomolecules · Quantitative Biology 2024-04-12 S. H. Mejias , A. L. Cortajarena , R. Mincigrucci , C. Svetina , C. Masciovecchio

Classifying structural variability in noisy projections of biological macromolecules is a central problem in Cryo-EM. In this work, we build on a previous method for estimating the covariance matrix of the three-dimensional structure…

Computer Vision and Pattern Recognition · Computer Science 2015-12-08 Joakim Andén , Eugene Katsevich , Amit Singer

Modern predictive systems encode beliefs that can act as useful prior information for statistical inference in data-limited settings. Using them for prior construction introduces a tradeoff: an informative prior built from a predictive…

Machine Learning · Statistics 2026-05-12 Jongwoo Choi , Sean O'Hagan

Cryo-electron microscopy (cryo-EM) enables single-particle analysis of biological macromolecules under strict low-dose imaging conditions, but the resulting micrographs often exhibit extremely low signal-to-noise ratios and weak particle…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Xiaoqi Wu , Xueying Zhan , Wen Li , Junhao Wu , Xin Huang , Min Xu

A central challenge in statistical inference is the presence of confounding variables that may distort observed associations between treatment and outcome. Conventional "causal" methods, grounded in assumptions such as ignorability, exclude…

Methodology · Statistics 2025-09-09 Ellis Scharfenaker , Duncan K. Foley

We look at the distribution of the Bayesian evidence for mock realizations of supernova and baryon acoustic oscillation data. The ratios of Bayesian evidences of different models are often used to perform model selection. The significance…

Cosmology and Nongalactic Astrophysics · Physics 2022-07-20 Ryan E. Keeley , Arman Shafieloo