Tokenised Flow Matching for Hierarchical Simulation Based Inference

Giovanni Charles, Cosmo Nazzareno Santoni, Seth Flaxman, Elizaveta Semenova
Proceedings of the 43rd International Conference on Machine Learning, PMLR 306:12998-13022, 2026.

Abstract

The cost of simulator evaluations is a key practical bottleneck for Simulation Based Inference (SBI). In hierarchical settings with shared global parameters and exchangeable site-level parameters and observations, this structure can be exploited to improve simulation efficiency. Existing hierarchical SBI approaches factorise the posterior yet still simulate across multiple sites per training sample; We instead explore likelihood factorisation (LF) to train from single-site simulations. In LF sampling we learn a per-site (factorised) likelihood and then assemble synthetic multi-site observations to amortise inference for the full hierarchical posterior. Building on this, we propose Tokenised Flow Matching for Posterior Estimation (TFMPE), a tokenised flow matching approach that supports function-valued observations through likelihood factorisation. To enable systematic evaluation, we introduce a benchmark for hierarchical SBI. We validate TFMPE on this benchmark and on realistic infectious disease and computational fluid dynamics models, finding well-calibrated posteriors while reducing computational cost.

Cite this Paper


BibTeX
@InProceedings{pmlr-v306-charles26a, title = {Tokenised Flow Matching for Hierarchical Simulation Based Inference}, author = {Charles, Giovanni and Santoni, Cosmo Nazzareno and Flaxman, Seth and Semenova, Elizaveta}, booktitle = {Proceedings of the 43rd International Conference on Machine Learning}, pages = {12998--13022}, year = {2026}, editor = {Zhang, Tong and Dudik, Miroslav and Jaggi, Martin and Agarwal, Alekh and Li, Sharon and Schuurmans, Dale and Zhu, Jerry and Berkenkamp, Felix and Dong, Hanze and Bietti, Alberto}, volume = {306}, series = {Proceedings of Machine Learning Research}, month = {06--11 Jul}, publisher = {PMLR}, pdf = {https://raw.githubusercontent.com/mlresearch/v306/main/assets/charles26a/charles26a.pdf}, url = {https://proceedings.mlr.press/v306/charles26a.html}, abstract = {The cost of simulator evaluations is a key practical bottleneck for Simulation Based Inference (SBI). In hierarchical settings with shared global parameters and exchangeable site-level parameters and observations, this structure can be exploited to improve simulation efficiency. Existing hierarchical SBI approaches factorise the posterior yet still simulate across multiple sites per training sample; We instead explore likelihood factorisation (LF) to train from single-site simulations. In LF sampling we learn a per-site (factorised) likelihood and then assemble synthetic multi-site observations to amortise inference for the full hierarchical posterior. Building on this, we propose Tokenised Flow Matching for Posterior Estimation (TFMPE), a tokenised flow matching approach that supports function-valued observations through likelihood factorisation. To enable systematic evaluation, we introduce a benchmark for hierarchical SBI. We validate TFMPE on this benchmark and on realistic infectious disease and computational fluid dynamics models, finding well-calibrated posteriors while reducing computational cost.} }
Endnote
%0 Conference Paper %T Tokenised Flow Matching for Hierarchical Simulation Based Inference %A Giovanni Charles %A Cosmo Nazzareno Santoni %A Seth Flaxman %A Elizaveta Semenova %B Proceedings of the 43rd International Conference on Machine Learning %C Proceedings of Machine Learning Research %D 2026 %E Tong Zhang %E Miroslav Dudik %E Martin Jaggi %E Alekh Agarwal %E Sharon Li %E Dale Schuurmans %E Jerry Zhu %E Felix Berkenkamp %E Hanze Dong %E Alberto Bietti %F pmlr-v306-charles26a %I PMLR %P 12998--13022 %U https://proceedings.mlr.press/v306/charles26a.html %V 306 %X The cost of simulator evaluations is a key practical bottleneck for Simulation Based Inference (SBI). In hierarchical settings with shared global parameters and exchangeable site-level parameters and observations, this structure can be exploited to improve simulation efficiency. Existing hierarchical SBI approaches factorise the posterior yet still simulate across multiple sites per training sample; We instead explore likelihood factorisation (LF) to train from single-site simulations. In LF sampling we learn a per-site (factorised) likelihood and then assemble synthetic multi-site observations to amortise inference for the full hierarchical posterior. Building on this, we propose Tokenised Flow Matching for Posterior Estimation (TFMPE), a tokenised flow matching approach that supports function-valued observations through likelihood factorisation. To enable systematic evaluation, we introduce a benchmark for hierarchical SBI. We validate TFMPE on this benchmark and on realistic infectious disease and computational fluid dynamics models, finding well-calibrated posteriors while reducing computational cost.
APA
Charles, G., Santoni, C.N., Flaxman, S. & Semenova, E.. (2026). Tokenised Flow Matching for Hierarchical Simulation Based Inference. Proceedings of the 43rd International Conference on Machine Learning, in Proceedings of Machine Learning Research 306:12998-13022 Available from https://proceedings.mlr.press/v306/charles26a.html.

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