Compositional simulation-based inference for time series

Amortized simulation-based inference (SBI) methods train neural networks on simulated data to perform Bayesian inference. While this approach avoids the need for tractable likelihoods, it often requires a large number of simulations and has been challenging to scale to time-series data. Scientific simulators frequently emulate real-world dynamics through thousands of single-state transitions over time. We propose an SBI framework that can exploit such Markovian simulators by locally identifying parameters consistent with individual state transitions. We then compose these local results to obtain a posterior over parameters that align with the entire time series observation. We focus on applying this approach to neural posterior score estimation but also show how it can be applied, e.g., to neural likelihood (ratio) estimation. We demonstrate that our approach is more simulation-efficient than directly estimating the global posterior on several synthetic benchmark tasks and simulators used in ecology and epidemiology. Numerical simulations are a central approach for tackling problems in a wide range of scientific and engineering disciplines, including physics (Brehmer & Cranmer, 2022; Dax et al., 2021), molecular dynamics (Hollingsworth & Dror, 2018), neuroscience (Gonçalves et al., 2020) and climate science (Watson-Parris et al., 2021). Simulators often include at least some parameters that cannot be measured experimentally. Inferring such parameters from observed data is a fundamental challenge. Bayesian inference provides a principled approach to identifying parameters that align with empirical observations. Standard algorithms for Bayesian inference, such as Markov Chain Monte Carlo (MCMC) (Gilks et al., 1995) and variational inference (Beal, 2003), generally require access to the likelihoods p(x|θ). However, for many simulators, directly evaluating the likelihood remains intractable, rendering conventional Bayesian approaches inapplicable.