Action Matching: Learning Stochastic Dynamics from Samples

Kirill Neklyudov, Rob Brekelmans, Daniel Severo, Alireza Makhzani
Proceedings of the 40th International Conference on Machine Learning, PMLR 202:25858-25889, 2023.

Abstract

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

Cite this Paper


BibTeX
@InProceedings{pmlr-v202-neklyudov23a, title = {Action Matching: Learning Stochastic Dynamics from Samples}, author = {Neklyudov, Kirill and Brekelmans, Rob and Severo, Daniel and Makhzani, Alireza}, booktitle = {Proceedings of the 40th International Conference on Machine Learning}, pages = {25858--25889}, year = {2023}, editor = {Krause, Andreas and Brunskill, Emma and Cho, Kyunghyun and Engelhardt, Barbara and Sabato, Sivan and Scarlett, Jonathan}, volume = {202}, series = {Proceedings of Machine Learning Research}, month = {23--29 Jul}, publisher = {PMLR}, pdf = {https://proceedings.mlr.press/v202/neklyudov23a/neklyudov23a.pdf}, url = {https://proceedings.mlr.press/v202/neklyudov23a.html}, abstract = {Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.} }
Endnote
%0 Conference Paper %T Action Matching: Learning Stochastic Dynamics from Samples %A Kirill Neklyudov %A Rob Brekelmans %A Daniel Severo %A Alireza Makhzani %B Proceedings of the 40th International Conference on Machine Learning %C Proceedings of Machine Learning Research %D 2023 %E Andreas Krause %E Emma Brunskill %E Kyunghyun Cho %E Barbara Engelhardt %E Sivan Sabato %E Jonathan Scarlett %F pmlr-v202-neklyudov23a %I PMLR %P 25858--25889 %U https://proceedings.mlr.press/v202/neklyudov23a.html %V 202 %X Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.
APA
Neklyudov, K., Brekelmans, R., Severo, D. & Makhzani, A.. (2023). Action Matching: Learning Stochastic Dynamics from Samples. Proceedings of the 40th International Conference on Machine Learning, in Proceedings of Machine Learning Research 202:25858-25889 Available from https://proceedings.mlr.press/v202/neklyudov23a.html.

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