Preconditioned Neural Posterior Estimation for Likelihood-free Inference (2404.13557v1)
Abstract: 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 estimator (NPE) and its sequential version (SNPE). These methods can outperform statistical SBI approaches such as approximate Bayesian computation (ABC), particularly for relatively small numbers of model simulations. However, we show in this paper that the NPE methods are not guaranteed to be highly accurate, even on problems with low dimension. In such settings the posterior cannot be accurately trained over the prior predictive space, and even the sequential extension remains sub-optimal. To overcome this, we propose preconditioned NPE (PNPE) and its sequential version (PSNPE), which uses a short run of ABC to effectively eliminate regions of parameter space that produce large discrepancy between simulations and data and allow the posterior emulator to be more accurately trained. We present comprehensive empirical evidence that this melding of neural and statistical SBI methods improves performance over a range of examples, including a motivating example involving a complex agent-based model applied to real tumour growth data.
- June: open-source individual-based epidemiology simulation. Royal Society Open Science, 8(7):210506, 2021.
- M. A. Beaumont. Approximate Bayesian computation. Annual Review of Statistics and Its Application, 6:379–403, 2019.
- Adaptive approximate Bayesian computation. Biometrika, 96(4):983–990, 2009.
- New insights into approximate Bayesian computation. In Annales de l’IHP Probabilités et Statistiques, volume 51, pages 376–403, 2015.
- Pyro: Deep universal probabilistic programming. The Journal of Machine Learning Research, 20(1):973–978, 2019.
- M. G. Blum. Approximate Bayesian computation: a nonparametric perspective. Journal of the American Statistical Association, 105(491):1178–1187, 2010.
- Being Bayesian in the 2020s: opportunities and challenges in the practice of modern applied Bayesian statistics. Philosophical Transactions of the Royal Society A, 381(2247):20220156, 2023.
- Investigating the impact of model misspecification in neural simulation-based inference. arXiv preprint arXiv:2209.01845, 2022.
- Is learning summary statistics necessary for likelihood-free inference? In International Conference on Machine Learning, pages 4529–4544. PMLR, 2023.
- The frontier of simulation-based inference. Proceedings of the National Academy of Sciences, 117(48):30055–30062, 2020.
- Approximate Bayesian computation (ABC) in practice. Trends in Ecology & Evolution, 25(7):410–418, 2010.
- Real-time gravitational wave science with neural posterior estimation. Physical Review Letters, 127(24):241103, 2021.
- Field-level simulation-based inference with Galaxy catalogs: the impact of systematic effects. arXiv preprint arXiv:2310.15234, 2023.
- Truncated proposals for scalable and hassle-free simulation-based inference. Advances in Neural Information Processing Systems, 35:23135–23149, 2022.
- Invertible generative modeling using linear rational splines. In International Conference on Artificial Intelligence and Statistics, pages 4236–4246. PMLR, 2020.
- Improving the accuracy of marginal approximations in likelihood-free inference via localisation. Journal of Computational and Graphical Statistics, pages 1–19, 2023.
- Estimation of parameters for macroparasite population evolution using approximate Bayesian computation. Biometrics, 67(1):225–233, 2011.
- Neural spline flows. Advances in Neural Information Processing Systems, 32, 2019.
- P. Fearnhead and D. Prangle. Constructing summary statistics for approximate Bayesian computation: semi-automatic approximate Bayesian computation. Journal of the Royal Statistical Society Series B: Statistical Methodology, 74(3):419–474, 2012.
- Likelihood approximation networks (LANs) for fast inference of simulation models in cognitive neuroscience. Elife, 10:e65074, 2021.
- Model misspecification in approximate Bayesian computation: consequences and diagnostics. Journal of the Royal Statistical Society Series B: Statistical Methodology, 82(2):421–444, 2020.
- Adversarial robustness of amortized Bayesian inference. pages 11493–11524, 2023.
- Automatic posterior transformation for likelihood-free inference. In International Conference on Machine Learning, pages 2404–2414. PMLR, 2019.
- Learning robust statistics for simulation-based inference under model misspecification. Advances in Neural Information Processing Systems, 36, 2024.
- Enhancing oncolytic virotherapy: Observations from a Voronoi Cell-Based model. Journal of Theoretical Biology, 485:110052, 2020.
- Misspecification-robust sequential neural likelihood. arXiv preprint arXiv:2301.13368, 2023.
- Active targeting and safety profile of PEG-modified adenovirus conjugated with herceptin. Biomaterials, 32(9):2314–2326, 2011.
- Fundamentals and recent developments in approximate Bayesian computation. Systematic Biology, 66(1):e66–e82, 2017.
- Flexible statistical inference for mechanistic models of neural dynamics. Advances in Neural Information Processing Systems, 30, 2017.
- Benchmarking simulation-based inference. In International Conference on Artificial Intelligence and Statistics, pages 343–351. PMLR, 2021.
- Cell migration and organization in the intestinal crypt using a lattice-free model. Cell Proliferation, 34(4):253–266, 2001.
- S. Mishra-Sharma. Inferring dark matter substructure with astrometric lensing beyond the power spectrum. Machine Learning: Science and Technology, 3(1):01LT03, 2022.
- G. Papamakarios and I. Murray. Fast ε𝜀\varepsilonitalic_ε-free inference of simulation models with Bayesian conditional density estimation. Advances in Neural Information Processing Systems, 29, 2016.
- Masked autoregressive flow for density estimation. Advances in Neural Information Processing Systems, 30, 2017.
- Normalizing flows for probabilistic modeling and inference. The Journal of Machine Learning Research, 22(1):2617–2680, 2021.
- Scikit-learn: Machine learning in Python. the Journal of Machine Learning Research, 12:2825–2830, 2011.
- Bayesian synthetic likelihood. Journal of Computational and Graphical Statistics, 27(1):1–11, 2018.
- D. Rezende and S. Mohamed. Variational inference with normalizing flows. In International Conference on Machine Learning, pages 1530–1538. PMLR, 2015.
- Detecting model misspecification in amortized Bayesian inference with neural networks. pages 541–557, 2023.
- Fast parameter inference on pulsar timing arrays with normalizing flows. arXiv preprint arXiv:2310.12209, 2023.
- Sequential Monte Carlo without likelihoods. Proceedings of the National Academy of Sciences, 104(6):1760–1765, 2007.
- Handbook of approximate Bayesian computation. CRC Press, 2018.
- SBI: A toolkit for simulation-based inference. Journal of Open Source Software, 5(52):2505, 2020.
- Split-BOLFI for for misspecification-robust likelihood free inference in high dimensions. arXiv preprint arXiv:2002.09377, 2020.
- B. M. Turner and T. Van Zandt. A tutorial on approximate Bayesian computation. Journal of Mathematical Psychology, 56(2):69–85, 2012.
- S. J. Wade. Fabrication and preclinical assessment of drug eluting wet spun fibres for pancreatic cancer treatment. 2019.
- Calibration of agent based models for monophasic and biphasic tumour growth using approximate Bayesian computation. Journal of Mathematical Biology, 88(3):28, 2024.
- Robust neural posterior estimation and statistical model criticism. Advances in Neural Information Processing Systems, 35:33845–33859, 2022.
- Simulation-based inference for cardiovascular models. arXiv preprint arXiv:2307.13918, 2023.
- Inference of brain networks with approximate Bayesian computation–assessing face validity with an example application in Parkinsonism. Neuroimage, 236:118020, 2021.
- Learning likelihoods with conditional normalizing flows. arXiv preprint arXiv:1912.00042, 2019.
- Xiaoyu Wang (200 papers)
- Ryan P. Kelly (4 papers)
- David J. Warne (20 papers)
- Christopher Drovandi (60 papers)