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Across many domains of science, stochastic models are an essential tool to understand the mechanisms underlying empirically observed data. Models can be of different levels of detail and accuracy, with models of high-fidelity (i.e., high…

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

Simulation-based inference (SBI) is a statistical inference approach for estimating latent parameters of a physical system when the likelihood is intractable but simulations are available. In practice, SBI is often hindered by model…

Machine Learning · Computer Science 2025-10-22 Ortal Senouf , Antoine Wehenkel , Cédric Vincent-Cuaz , Emmanuel Abbé , Pascal Frossard

Spiking neural networks (SNNs) are gaining popularity in the computational simulation and artificial intelligence fields owing to their biological plausibility and computational efficiency. This paper explores the historical development of…

Neural and Evolutionary Computing · Computer Science 2024-08-29 Tianyu Zheng , Liyuan Han , Tielin Zhang

Almost all fields of science rely upon statistical inference to estimate unknown parameters in theoretical and computational models. While the performance of modern computer hardware continues to grow, the computational requirements for the…

Computation · Statistics 2022-10-25 David J. Warne , Ruth E. Baker , Matthew J. Simpson

Simulation-based inference (SBI) with neural networks has accelerated and transformed cognitive modeling workflows. SBI enables modelers to fit complex models that were previously difficult or impossible to estimate, while also allowing…

Machine Learning · Statistics 2026-03-24 Jerry M. Huang , Lukas Schumacher , Niek Stevenson , Stefan T. Radev

Simulation-based inference (SBI) enables cosmological parameter estimation when closed-form likelihoods or models are unavailable. However, SBI relies on machine learning for neural compression and density estimation. This requires large…

Cosmology and Nongalactic Astrophysics · Physics 2025-09-29 Alex A. Saoulis , Davide Piras , Niall Jeffrey , Alessio Spurio Mancini , Ana M. G. Ferreira , Benjamin Joachimi

Single-molecule force spectroscopy (smFS) is a powerful approach to studying molecular self-organization. However, the coupling of the molecule with the ever-present experimental device introduces artifacts, that complicates the…

Chemical Physics · Physics 2023-04-25 Lars Dingeldein , Pilar Cossio , Roberto Covino

Recent advances in probabilistic modelling have led to a large number of simulation-based inference algorithms which do not require numerical evaluation of likelihoods. However, a public benchmark with appropriate performance metrics for…

Machine Learning · Statistics 2021-04-12 Jan-Matthis Lueckmann , Jan Boelts , David S. Greenberg , Pedro J. Gonçalves , Jakob H. Macke

Standard cosmological analysis, which relies on two-point statistics, fails to extract the full information of the data. This limits our ability to constrain with precision cosmological parameters. Thus, recent years have seen a paradigm…

Bayesian optimal experimental design (BOED) seeks to maximize the expected information gain (EIG) of experiments. This requires a likelihood estimate, which in many settings is intractable. Simulation-based inference (SBI) provides powerful…

Machine Learning · Computer Science 2026-02-09 Samuel Klein , Willie Neiswanger , Daniel Ratner , Michael Kagan , Sean Gasiorowski

Neural likelihood estimation methods for simulation-based inference can suffer from performance degradation when the modeled data is very high-dimensional or lies along a lower-dimensional manifold, which is due to the inability of the…

Machine Learning · Statistics 2025-06-12 Simon Dirmeier , Carlo Albert , Fernando Perez-Cruz

Simulation based inference (SBI) methods enable the estimation of posterior distributions when the likelihood function is intractable, but where model simulation is feasible. Popular neural approaches to SBI are the neural posterior…

Machine Learning · Statistics 2024-04-23 Xiaoyu Wang , Ryan P. Kelly , David J. Warne , Christopher Drovandi

Simulation Based Inference (SBI) is shown to yield more accurate resonance parameter estimates than traditional chi-squared minimization in certain cases of model misspecification, demonstrated through a case study of pi-pi scattering and…

High Energy Physics - Phenomenology · Physics 2025-07-28 Daniel Sadasivan , Isaac Cordero , Andrew Graham , Cecilia Marsh , Daniel Kupcho , Melana Mourad , Maxim Mai

Modeling and simulation are recognized as important aspects of the scientific method for more than 70 years but its adoption in biology has been slow. Debates on its representativeness, usefulness, and whether the effort spent on such…

Quantitative Methods · Quantitative Biology 2023-02-21 Maurice HT Ling

Agent-based modelling (ABM) is a widespread approach to simulate complex systems. Advancements in computational processing and storage have facilitated the adoption of ABMs across many fields; however, ABMs face challenges that limit their…

Machine Learning · Computer Science 2026-03-06 M Lopes Alves , Joel Dyer , Doyne Farmer , Michael Wooldridge , Anisoara Calinescu

Bio-inspired optimization (including Evolutionary Computation and Swarm Intelligence) is a growing research topic with many competitive bio-inspired algorithms being proposed every year. In such an active area, preparing a successful…

Neural and Evolutionary Computing · Computer Science 2024-10-07 Antonio LaTorre , Daniel Molina , Eneko Osaba , Javier Del Ser , Francisco Herrera

Insufficient performance of optimization approaches for fitting of mathematical models is still a major bottleneck in systems biology. In this manuscript, the reasons and methodological challenges are summarized as well as their impact in…

Performance · Computer Science 2019-07-09 Clemens Kreutz

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

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