Simulation-based inference
Comment: See WP:PREPRINTS. S0091 (talk) 21:59, 7 October 2026 (UTC)
Comment: In preparing this draft, I disclose that AI assistance was used as follows: I wrote a draft that was pretty similar to the one submitted here and asked the chatbot for help with formulating and shortening the original text. All references have been added and checked by me, the chatbot did however suggest adding more links to wikipedia pages which I did as a result. Maxweso (talk) 20:39, 7 October 2026 (UTC)
Simulation-based inference
Simulation-based inference (SBI) is a class of statistical inference methods that uses samples generated by a simulator to infer unknown parameters or other quantities of interest from observed data. It is particularly useful when the likelihood function of a statistical model is unavailable, computationally intractable, or too expensive to evaluate directly, while generating data from the model is feasible.[1]
SBI is also referred to as likelihood-free inference, although the latter term can be misleading for methods that learn an approximation to the likelihood or likelihood ratio from simulated data.[1] The methods are used in a range of fields including particle physics[2], gravitational wave astronomy[3], neuroscience[4] and evolutionary biology[5]
Statistical formulation
Consider a probabilistic model with parameters and observations . In Bayesian inference, the objective is to determine the posterior distribution
where denotes the observed data, is the prior probability distribution, is the likelihood function, and is the marginal likelihood.
The likelihood is the probability density of the observed data conditional on a particular value of the model parameters. Many conventional Bayesian inference methods, such as Markov chain Monte Carlo methods, require repeated evaluation of the likelihood. For complex mechanistic models, however, the likelihood may be unavailable or computationally prohibitive to evaluate.[1]
In SBI, the model is instead represented by a simulator or generative process. Given a parameter value , the simulator generates synthetic observations according to[6]
The simulator therefore provides samples from the model without necessarily providing an explicit expression for the likelihood. The objective is to use these simulated data to approximate the desired distribution, such as the posterior distribution.
The distinction between the forward and inverse problems is useful in this context. In the forward problem, parameters and a model are used to generate simulated observations. In the inverse problem, observed data are used to infer the parameters of the model. SBI addresses the inverse problem using repeated evaluations of the forward simulator.
Methods
SBI methods can be broadly divided according to which statistical quantity is learned from simulations. Three major approaches based on neural density estimation are neural posterior estimation, neural likelihood estimation, and neural ratio estimation[1][7]. Methods that learn all statistical quantities have also been developed.[8][9][10]
Amortized and sequential inference
SBI methods can also be distinguished by how simulations are allocated between training and inference.
In amortized inference, a model is trained using simulations over a broad range of parameter values before the observed data are analyzed. Once trained, the resulting estimator can perform inference for many observations with little additional computational cost. This can be advantageous when the same simulator is to be used for repeated inference tasks.[11]
In sequential inference, simulations are generated in several rounds. Information obtained from earlier rounds is used to modify the distribution from which subsequent parameter values are simulated. This can concentrate computational effort around regions that are relevant to the observed data and thereby improve simulation efficiency.[7]
Limitations
The main computational cost of SBI is often the simulation itself. When simulations are expensive, generating a sufficiently large training or reference data set can be a limiting factor. The performance of neural SBI methods can also depend on the choice of density estimator, simulation distribution and evaluation metric; benchmarking studies have found that there is no single method that performs best across all inference problems.[7]
SBI is also dependent on the simulator being an adequate representation of the data-generating process. A posterior obtained from a highly accurate approximation of the simulated model does not necessarily provide an accurate description of the real-world system when the simulator is misspecified. Consequently, calibration, posterior predictive checks and other validation procedures are important components of SBI workflows.[1][6]
See also
- Approximate Bayesian computation
- Bayesian inference
- Markov chain Monte Carlo
- Neural network
References
- ↑ 1.0 1.1 1.2 1.3 1.4 Cranmer, Kyle; Brehmer, Johann; Louppe, Gilles (2020). "The frontier of simulation-based inference". Proceedings of the National Academy of Sciences. 117 (48): 30055–30062. doi:10.1073/pnas.1912789117.
- ↑ Brehmer, Johann; Cranmer, Kyle (2020-12-16), "Simulation-Based Inference Methods for Particle Physics", Artificial Intelligence for High Energy Physics, WORLD SCIENTIFIC, pp. 579–611, doi:10.1142/9789811234033_0016, ISBN 978-981-12-3402-6, retrieved 2026-10-07
- ↑ Dax, Maximilian; Green, Stephen R.; Gair, Jonathan; Macke, Jakob H.; Buonanno, Alessandra; Schölkopf, Bernhard (2021-12-08). "Real-Time Gravitational Wave Science with Neural Posterior Estimation". Physical Review Letters. American Physical Society. 127 (24): 241103. doi:10.1103/PhysRevLett.127.241103.
- ↑ Gonçalves, Pedro J; Lueckmann, Jan-Matthis; Deistler, Michael; Nonnenmacher, Marcel; Öcal, Kaan; Bassetto, Giacomo; Chintaluri, Chaitanya; Podlaski, William F; Haddad, Sara A; Vogels, Tim P; Greenberg, David S; Macke, Jakob H (2020-09-17). "Training deep neural density estimators to identify mechanistic models of neural dynamics". eLife. 9. doi:10.7554/eLife.56261. ISSN 2050-084X. PMC 7581433 Check
|pmc=value (help). PMID 32940606 Check|pmid=value (help). - ↑ Avecilla, Grace; Chuong, Julie N.; Li, Fangfei; Sherlock, Gavin; Gresham, David; Ram, Yoav (2022-05-27). "Neural networks enable efficient and accurate simulation-based inference of evolutionary parameters from adaptation dynamics". PLOS Biology. Public Library of Science. 20 (5): e3001633. doi:10.1371/journal.pbio.3001633. ISSN 1545-7885. PMC 9140244 Check
|pmc=value (help). PMID 35622868 Check|pmid=value (help). - ↑ 6.0 6.1 Deistler, Michael; Boelts, Jan; Steinbach, Peter; Moss, Guy; Moreau, Thomas; Gloeckler, Manuel; Rodrigues, Pedro L. C.; Linhart, Julia; Lappalainen, Janne K. (2025), Simulation-Based Inference: A Practical Guide, arXiv, doi:10.48550/ARXIV.2508.12939, retrieved 2026-10-07
- ↑ 7.0 7.1 7.2 Lueckmann, Jan-Matthis; Boelts, Jan; Greenberg, David; Goncalves, Pedro; Macke, Jakob (2021). "Benchmarking Simulation-Based Inference". Proceedings of the 24th International Conference on Artificial Intelligence and Statistics. Proceedings of Machine Learning Research. 130. pp. 343–351.
- ↑ Gloeckler, Manuel; Deistler, Michael; Weilbach, Christian; Wood, Frank; Macke, Jakob H. (2024-07-15), All-in-one simulation-based inference, arXiv, doi:10.48550/arXiv.2404.09636, arXiv:2404.09636, retrieved 2026-10-07
- ↑ Nautiyal, Mayank; Ju, Li; Ernfors, Melker; Hagland, Klara; Holma, Ville; Söderholm, Maximilian Werkö; Hellander, Andreas; Singh, Prashant (2026-01-30), OneFlowSBI: One Model, Many Queries for Simulation-Based Inference, arXiv, doi:10.48550/arXiv.2601.22951, arXiv:2601.22951, retrieved 2026-10-07
- ↑ Chang, Paul E.; Loka, Nasrulloh; Huang, Daolang; Remes, Ulpu; Kaski, Samuel; Acerbi, Luigi (2025-03-04), Amortized Probabilistic Conditioning for Optimization, Simulation and Inference, arXiv, doi:10.48550/arXiv.2410.15320, arXiv:2410.15320, retrieved 2026-10-07
- ↑ Zammit-Mangion, Andrew; Sainsbury-Dale, Matthew; Huser, Raphaël (2025). "Neural Methods for Amortized Inference". Annual Review of Statistics and Its Application. 12: 311–335. doi:10.1146/annurev-statistics-112723-034123.
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