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Model parameter inference is a universal problem across science. This challenge is particularly pronounced in developmental biology, where faithful mechanistic descriptions require spatial-stochastic models with numerous parameters, yet…

Biological Physics · Physics 2024-07-16 Michael A. Ramirez-Sierra , Thomas R. Sokolowski

Cooperation is often implicitly assumed when learning from other agents. Cooperation implies that the agent selecting the data, and the agent learning from the data, have the same goal, that the learner infer the intended hypothesis. Recent…

Machine Learning · Computer Science 2020-07-02 Junqi Wang , Pei Wang , Patrick Shafto

We review methods of data analysis for biophysical data with a special emphasis on single molecule applications. Our review is intended for anyone, from student to established researcher. For someone just getting started, we focus on…

Biological Physics · Physics 2016-11-24 Meysam Tavakoli , J. Nicholas Taylor , Chun-Biu Li , Tamiki Komatsuzaki , Steve Pressé

The standard approach to inference from cosmic large-scale structure data employs summary statistics that are compared to analytic models in a Gaussian likelihood with pre-computed covariance. To overcome the idealising assumptions about…

Cosmology and Nongalactic Astrophysics · Physics 2023-08-24 Kiyam Lin , Maximilian von Wietersheim-Kramsta , Benjamin Joachimi , Stephen Feeney

We introduce two synthetic likelihood methods for Simulation-Based Inference (SBI), to conduct either amortized or targeted inference from experimental observations when a high-fidelity simulator is available. Both methods learn a…

Machine Learning · Computer Science 2023-04-19 Pierre Glaser , Michael Arbel , Samo Hromadka , Arnaud Doucet , Arthur Gretton

Simulation-based inference (SBI) enables amortized Bayesian inference for simulators with implicit likelihoods. But when we are primarily interested in the quality of predictive simulations, or when the model cannot exactly reproduce the…

Machine Learning · Statistics 2023-11-03 Richard Gao , Michael Deistler , Jakob H. Macke

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

Much of our mechanistic understanding of the functions of biological macromolecules is based on static structural experiments, which can be modelled either as single structures or conformational ensembles. While these provide us with…

Biomolecules · Quantitative Biology 2025-10-02 Daria Gusew , Carl G. Henning Hansen , Kresten Lindorff-Larsen

Verifying the correctness of Bayesian computation is challenging. This is especially true for complex models that are common in practice, as these require sophisticated model implementations and algorithms. In this paper we introduce…

Methodology · Statistics 2020-10-22 Sean Talts , Michael Betancourt , Daniel Simpson , Aki Vehtari , Andrew Gelman

Over the past decades, hemodynamics simulators have steadily evolved and have become tools of choice for studying cardiovascular systems in-silico. While such tools are routinely used to simulate whole-body hemodynamics from physiological…

Simulation-Based Inference (SBI) deals with statistical inference in problems where the data are generated from a system that is described by a complex stochastic simulator. The challenge for inference in these problems is that the…

Computation · Statistics 2025-04-17 David Refaeli , Mira Marcus-Kalish , David M. Steinberg

Simulation-based inference (SBI) is constantly in search of more expressive and efficient algorithms to accurately infer the parameters of complex simulation models. In line with this goal, we present consistency models for posterior…

Machine Learning · Computer Science 2024-11-05 Marvin Schmitt , Valentin Pratz , Ullrich Köthe , Paul-Christian Bürkner , Stefan T Radev

Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…

Chemical Physics · Physics 2019-12-10 Simone Orioli , Andreas Haahr Larsen , Sandro Bottaro , Kresten Lindorff-Larsen

This paper presents recent methodological advances to perform simulation-based inference (SBI) of a general class of Bayesian hierarchical models (BHMs), while checking for model misspecification. Our approach is based on a two-step…

Methodology · Statistics 2022-11-03 Florent Leclercq

Bayesian inference allows expressing the uncertainty of posterior belief under a probabilistic model given prior information and the likelihood of the evidence. Predominantly, the likelihood function is only implicitly established by a…

Research on Symbolic Probabilistic Inference (SPI) [2, 3] has provided an algorithm for resolving general queries in Bayesian networks. SPI applies the concept of dependency directed backward search to probabilistic inference, and is…

Artificial Intelligence · Computer Science 2013-03-26 Kuo-Chu Chang , Robert Fung

Bayesian spatial modeling provides a flexible framework for whole-brain fMRI analysis by explicitly incorporating spatial dependencies, overcoming the limitations of traditional massive univariate approaches that lead to information waste.…

Methodology · Statistics 2025-11-18 Yuan Zhong , Gang Chen , Paul A. Taylor , Jian Kang

Making inferences about physical properties of the Universe requires knowledge of the data likelihood. A Gaussian distribution is commonly assumed for the uncertainties with a covariance matrix estimated from a set of simulations. The noise…

Cosmology and Nongalactic Astrophysics · Physics 2025-07-09 Jed Homer , Oliver Friedrich , Daniel Gruen

Identifying tire and vehicle parameters is an essential step in designing control and planning algorithms for autonomous vehicles. This paper proposes a new method: Simulation-Based Inference (SBI), a modern interpretation of Approximate…

Robotics · Computer Science 2021-08-30 Ali Boyali , Simon Thompson , David Robert Wong

Unbinned likelihood fits aim at maximizing the information one can extract from experimental data, yet their application in realistic statistical analyses is often hindered by the computational cost of profiling systematic uncertainties.…

High Energy Physics - Phenomenology · Physics 2026-02-16 Davide Valsecchi , Mauro Donegà , Rainer Wallny