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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

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…

Simulation-Based Inference (SBI) is an approach to statistical inference where simulations from an assumed model are used to construct estimators and confidence sets. SBI is often used when the likelihood is intractable and to construct…

Methodology · Statistics 2025-08-05 Lorenzo Tomaselli , Valérie Ventura , Larry Wasserman

We introduce Flat Hilbert Bayesian Inference (FHBI), an algorithm designed to enhance generalization in Bayesian inference. Our approach involves an iterative two-step procedure with an adversarial functional perturbation step and a…

Machine Learning · Computer Science 2025-06-10 Tuan Truong , Quyen Tran , Quan Pham-Ngoc , Nhat Ho , Dinh Phung , Trung Le

Spins in gated semiconductor quantum dots (QDs) are a promising platform for Hubbard model simulation inaccessible to computation. Precise control of the tunnel couplings by tuning voltages on metallic gates is vital for a successful…

Mesoscale and Nanoscale Physics · Physics 2022-10-07 Ludmila Szulakowska , Jun Dai

Ultrafast ultrasound imaging is essential for advanced ultrasound imaging techniques such as ultrasound localization microscopy (ULM) and functional ultrasound (fUS). Current ultrafast ultrasound imaging is challenged by the ultrahigh data…

Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of…

Machine Learning · Computer Science 2023-04-11 Masaki Adachi , Satoshi Hayakawa , Martin Jørgensen , Harald Oberhauser , Michael A. Osborne

Stein variational inference (SVI) is a sample-based approximate Bayesian inference technique that generates a sample set by jointly optimizing the samples' locations to minimize an information-theoretic measure of discrepancy with the…

Machine Learning · Computer Science 2024-10-22 Liam Pavlovic , David M. Rosen

Scientific modeling and engineering applications rely heavily on parameter estimation methods to fit physical models and calibrate numerical simulations using real-world measurements. In the absence of analytic statistical models with…

Machine Learning · Computer Science 2024-09-30 Ruoxi Jiang , Peter Y. Lu , Rebecca Willett

The advancement and scaling of quantum technology has made the learning and identification of quantum systems and devices in highly-multidimensional parameter spaces a pressing task for a variety of applications. In many cases, the…

Quantum Physics · Physics 2026-04-20 Federico Belliardo , Erik M. Gauger , Tim H. Taminiau , Yoann Altmann , Cristian Bonato

Bayesian quadrature (BQ) is a sample-efficient probabilistic numerical method to solve integrals of expensive-to-evaluate black-box functions, yet so far,active BQ learning schemes focus merely on the integrand itself as information source,…

Machine Learning · Computer Science 2021-02-15 Alexandra Gessner , Javier Gonzalez , Maren Mahsereci

Quantum error mitigation (QEM) has emerged as a powerful tool for the extraction of useful quantum information from quantum devices. Here, we introduce the Subspace Noise Tailoring (SNT) algorithm, which efficiently combines the cheap cost…

Boundary integral methods are advantageous when simulating viscous flow around rigid particles, due to the reduction in number of unknowns and straightforward handling of the geometry. In this work we present a fast and accurate framework…

Numerical Analysis · Mathematics 2016-09-22 Ludvig af Klinteberg , Anna-Karin Tornberg

Cosmological inferences typically rely on explicit expressions for the likelihood and covariance of the data vector, which normally consists of a set of summary statistics. However, in the case of nonlinear large-scale structure, exact…

Cosmology and Nongalactic Astrophysics · Physics 2024-08-29 Beatriz Tucci , Fabian Schmidt

Single-molecule experiments are a unique tool to characterize the structural dynamics of biomolecules. However, reconstructing molecular details from noisy single-molecule data is challenging. Simulation-based inference (SBI) integrates…

Chemical Physics · Physics 2024-10-22 Lars Dingeldein , Pilar Cossio , Roberto Covino

Fourier single-pixel imaging (FSI) is a data-efficient single-pixel imaging (SPI). However, there is still a serious challenge to obtain higher imaging quality using fewer measurements, which limits the development of real-time SPI. In this…

Image and Video Processing · Electrical Eng. & Systems 2023-11-07 Huan Cui , Jie Cao , Qun Hao , Haoyu Zhang , Chang Zhou

Simulation-based inference (SBI) is emerging as a new statistical paradigm for addressing complex scientific inference problems. By leveraging the representational power of deep neural networks, SBI can extract the most informative…

Instrumentation and Methods for Astrophysics · Physics 2025-10-17 Huifang Lyu , James Alvey , Noemi Anau Montel , Mauro Pieroni , Christoph Weniger

Benchmarking and characterising quantum states and logic gates is essential in the development of devices for quantum computing. We introduce a Bayesian approach to self-consistent process tomography, called fast Bayesian tomography (FBT),…

With the advancements of computer architectures, the use of computational models proliferates to solve complex problems in many scientific applications such as nuclear physics and climate research. However, the potential of such models is…

Computation · Statistics 2021-07-05 Vojtech Kejzlar , Tapabrata Maiti

Accurate condition monitoring of industrial equipment requires inferring latent degradation parameters from indirect sensor measurements under uncertainty. While traditional Bayesian methods like Markov Chain Monte Carlo (MCMC) provide…

Machine Learning · Computer Science 2026-04-23 Peter Collett , Alexander Johannes Stasik , Simone Casolo , Signe Riemer-Sørensen