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The study of biomolecular folding has been greatly advanced by single-molecule force spectroscopy (SMFS), which enables the observation of the dynamics of individual molecules. However, extracting quantitative models of fundamental…

Chemical Physics · Physics 2026-04-30 Lars Dingeldein , Aaron Lyons , Pilar Cossio , Michael Woodside , Roberto Covino

Gaussian graphical models are widely used to infer dependence structures. Bayesian methods are appealing to quantify uncertainty associated with structural learning, i.e., the plausibility of conditional independence statements given the…

Methodology · Statistics 2025-11-05 Deborah Sulem , Jack Jewson , David Rossell

Prediction-powered inference (PPI) enables valid statistical inference by combining experimental data with machine learning predictions. When a sufficient number of high-quality predictions is available, PPI results in more accurate…

Machine Learning · Statistics 2025-08-18 Stefano Cortinovis , François Caron

Spatial modelling often uses Gaussian random fields to capture the stochastic nature of studied phenomena. However, this approach incurs significant computational burdens (O(n3)), primarily due to covariance matrix computations. In this…

Methodology · Statistics 2024-04-22 Joaquin Cavieres , Paula Moraga , Cole C. Monnahan

Spiking neural networks (SNNs) with event-based computation are promising brain-inspired models for energy-efficient applications on neuromorphic hardware. However, most supervised SNN training methods, such as conversion from artificial…

Neural and Evolutionary Computing · Computer Science 2023-02-02 Mingqing Xiao , Qingyan Meng , Zongpeng Zhang , Yisen Wang , Zhouchen Lin

In Bayesian inference prior hyperparameters are chosen subjectively or estimated using empirical Bayes methods. Generalised Bayesian Inference (GBI) also has a learning rate hyperparameter. This is compounded in Semi-Modular Inference…

Bayesian optimization is an effective methodology for the global optimization of functions with expensive evaluations. It relies on querying a distribution over functions defined by a relatively cheap surrogate model. An accurate model for…

Parametric stochastic simulators are ubiquitous in science, often featuring high-dimensional input parameters and/or an intractable likelihood. Performing Bayesian parameter inference in this context can be challenging. We present a neural…

Machine Learning · Statistics 2021-10-27 Benjamin Kurt Miller , Alex Cole , Patrick Forré , Gilles Louppe , Christoph Weniger

Bayesian inference usually requires running potentially costly inference procedures separately for every new observation. In contrast, the idea of amortized Bayesian inference is to initially invest computational cost in training an…

Machine Learning · Computer Science 2023-05-25 Manuel Glöckler , Michael Deistler , Jakob H. Macke

Bayesian neural networks (BNNs) have recently regained a significant amount of attention in the deep learning community due to the development of scalable approximate Bayesian inference techniques. There are several advantages of using a…

Machine Learning · Statistics 2023-05-02 Aliaksandr Hubin , Geir Storvik

interpretable, and well understood models that are routinely employed even though, as is revealed through prior and posterior predictive checks, these can poorly characterise the spatial heterogeneity in the underlying process of interest.…

Machine Learning · Statistics 2024-04-08 Andrew Zammit-Mangion , Michael D. Kaminski , Ba-Hien Tran , Maurizio Filippone , Noel Cressie

Generative models and those with computationally intractable likelihoods are widely used to describe complex systems in the natural sciences, social sciences, and engineering. Fitting these models to data requires likelihood-free inference…

Methodology · Statistics 2025-12-04 Rui Zhang , Oksana A. Chkrebtii , Dongbin Xiu

Neural simulation-based inference is a powerful class of machine-learning-based methods for statistical inference that naturally handles high-dimensional parameter estimation without the need to bin data into low-dimensional summary…

Data Analysis, Statistics and Probability · Physics 2025-06-16 ATLAS Collaboration

In this paper, we use Prior-data Fitted Networks (PFNs) as a flexible surrogate for Bayesian Optimization (BO). PFNs are neural processes that are trained to approximate the posterior predictive distribution (PPD) through in-context…

Machine Learning · Computer Science 2023-07-25 Samuel Müller , Matthias Feurer , Noah Hollmann , Frank Hutter

This paper introduces the Bayesian Inference Engine (BIE), a general parallel, optimised software package for parameter inference and model selection. This package is motivated by the analysis needs of modern astronomical surveys and the…

Instrumentation and Methods for Astrophysics · Physics 2015-06-04 Martin D. Weinberg

Bayesian Neural Networks (BNNs) provide a probabilistic interpretation for deep learning models by imposing a prior distribution over model parameters and inferring a posterior distribution based on observed data. The model sampled from the…

Machine Learning · Computer Science 2023-11-15 Van-Anh Nguyen , Tung-Long Vuong , Hoang Phan , Thanh-Toan Do , Dinh Phung , Trung Le

Amortized Bayesian inference (ABI) with neural networks can solve probabilistic inverse problems orders of magnitude faster than classical methods. However, ABI is not yet sufficiently robust for widespread and safe application. When…

Machine Learning · Statistics 2026-03-04 Aayush Mishra , Daniel Habermann , Marvin Schmitt , Stefan T. Radev , Paul-Christian Bürkner

Identifying the parameters of a model and rating competitive models based on measured data has been among the most important but challenging topics in modern science and engineering, with great potential of application in structural system…

Computation · Statistics 2017-08-02 F. A. DiazDelaO , A. Garbuno-Inigo , S. K. Au , I. Yoshida

Although Bayesian inference is an immensely popular paradigm among a large segment of scientists including statisticians, most applications consider objective priors and need critical investigations (Efron, 2013, Science). While it has…

Statistics Theory · Mathematics 2020-09-11 Abhik Ghosh , Tuhin Majumder , Ayanendranath Basu

With the next generation of both electromagnetic and gravitational wave observatories beginning to come online, rapid analysis methods for kilonova data are becoming increasingly important in astronomy. Traditional Bayesian parameter…

Instrumentation and Methods for Astrophysics · Physics 2026-05-15 Stephanie M. Brown , Mattia Bulla , Hiranya V. Peiris , Nikhil Sarin , Daniel Mortlock , Stephen Thorp , Gurjeet Jagwani , Stephan Rosswog , Samaya Nissanke
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