Learning invariant representations of time-homogeneous stochastic dynamical systems
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Abstract (arXiv)
We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.
Key facts. Cited by 17 papers in the map (data through 13 Oct 2026). Builds on 22 of its 73 references that are in the map. First posted on arXiv 19 Jul 2023.
Builds on
22 of 73 references.
References · 22
- 2017Deep learning for universal linear embeddings of nonlinear dynamicscited by 491
- 2021Modern Koopman Theory for Dynamical Systemscited by 273
- 2020The Open Catalyst 2020 (OC20) Dataset and Community Challengescited by 246
- 2017Linearly-Recurrent Autoencoder Networks for Learning Dynamicscited by 142
- 2017VAMPnets: Deep learning of molecular kineticscited by 135
- 2014Dynamic mode decomposition with controlcited by 128
- 2017Learning Deep Neural Network Representations for Koopman Operators of Nonlinear Dynamical Systemscited by 125
- 2020Forecasting Sequential Data using Consistent Koopman Autoencoderscited by 115
- 2017On Convergence of Extended Dynamic Mode Decomposition to the Koopman Operatorcited by 70
- 2018Deep Dynamical Modeling and Control of Unsteady Fluid Flowscited by 67
- 2022Learning Dynamical Systems via Koopman Operator Regression in Reproducing Kernel Hilbert Spacescited by 67
- 2017Variational approach for learning Markov processes from time series datacited by 51
10 more
- 2022Optimal Rates for Regularized Conditional Mean Embedding Learningcited by 50
- 2017Eigendecompositions of Transfer Operators in Reproducing Kernel Hilbert Spacescited by 48
- 2023Sharp Spectral Rates for Koopman Operator Learningcited by 36
- 2020Kernel-based approximation of the Koopman generator and Schr"odinger operatorcited by 31
- 2022SchNetPack 2.0: A neural network toolbox for atomistic machine learningcited by 29
- 2021Finite-data error bounds for Koopman-based prediction and controlcited by 26
- 2021Learning Stable Koopman Embeddingscited by 18
- 2023Estimating Koopman operators with sketching to provably learn large scale dynamical systemscited by 15
- 2022GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomoleculescited by 8
- 2022Characterizing metastable states with the help of machine learningcited by 5
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Citing papers per year: 2023: 1; 2024: 3; 2025: 9; 2026: 4.
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- 2024Neural Conditional Probability for Uncertainty Quantificationcited by 14
- 2023Neural Koopman prior for data assimilationcited by 10
- 2024Learning the Infinitesimal Generator of Stochastic Diffusion Processescited by 9
- 2024Laplace Transform Based Low-Complexity Learning of Continuous Markov Semigroupscited by 7
- 2025Self-Supervised Evolution Operator Learning for High-Dimensional Dynamical Systemscited by 7
- 2025Koopman-Equivariant Gaussian Processescited by 6
- 2025Efficient Parametric SVD of Koopman Operator for Stochastic Dynamical Systemscited by 5
- 2025Information Shapes Koopman Representationcited by 4
- 2025A Spectral-Grassmann Wasserstein metric for operator representations of dynamical systemscited by 2
- 2025Sequence Modeling with Spectral Mean Flowscited by 2
- 2025kooplearn: A Scikit-Learn Compatible Library of Algorithms for Evolution Operator Learningcited by 1
- 2026Toeplitz Based Spectral Methods for Data-driven Dynamical Systemscited by 1
5 more
- 2026Hitting Time Isomorphism for Multi-Stage Planning with Foundation Policiescited by 1
- 2025Predicting the Energy Landscape of Stochastic Dynamical System via Physics-informed Self-supervised Learningcited by 0
- 2025Revisiting Orbital Minimization Method for Neural Operator Decompositioncited by 0
- 2026Geometric Dictionary Learning of Dynamical Systems with Optimal Transportcited by 0
- 2026Score the Algebra, Not the Span: Dimension Reduction for Transfer Operator Models of Dynamical Systemscited by 0
- 2026Score the Algebra, Not the Span: Dimension Reduction for Transfer Operator Models of Dynamical Systems19 Aug 2026
- 2026Geometric Dictionary Learning of Dynamical Systems with Optimal Transport18 May 2026
- 2026Hitting Time Isomorphism for Multi-Stage Planning with Foundation Policies7 May 2026
- 2026Toeplitz Based Spectral Methods for Data-driven Dynamical Systems10 Feb 2026
- 2025kooplearn: A Scikit-Learn Compatible Library of Algorithms for Evolution Operator Learning24 Dec 2025
- 2025Revisiting Orbital Minimization Method for Neural Operator Decomposition24 Oct 2025
- 2025Sequence Modeling with Spectral Mean Flows17 Oct 2025
- 2025Information Shapes Koopman Representation14 Oct 2025
- 2025A Spectral-Grassmann Wasserstein metric for operator representations of dynamical systems29 Sep 2025
- 2025Efficient Parametric SVD of Koopman Operator for Stochastic Dynamical Systems9 Jul 2025
- 2025Self-Supervised Evolution Operator Learning for High-Dimensional Dynamical Systems24 May 2025
- 2025Predicting the Energy Landscape of Stochastic Dynamical System via Physics-informed Self-supervised Learning24 Feb 2025
5 more
- 2025Koopman-Equivariant Gaussian Processes10 Feb 2025
- 2024Laplace Transform Based Low-Complexity Learning of Continuous Markov Semigroups18 Oct 2024
- 2024Neural Conditional Probability for Uncertainty Quantification1 Jul 2024
- 2024Learning the Infinitesimal Generator of Stochastic Diffusion Processes21 May 2024
- 2023Neural Koopman prior for data assimilation11 Sep 2023
- 2024Neural Conditional Probability for Uncertainty Quantificationcited by 14
- 2023Neural Koopman prior for data assimilationcited by 10
- 2024Learning the Infinitesimal Generator of Stochastic Diffusion Processescited by 9
- 2024Laplace Transform Based Low-Complexity Learning of Continuous Markov Semigroupscited by 7
- 2025Self-Supervised Evolution Operator Learning for High-Dimensional Dynamical Systemscited by 7
- 2025Koopman-Equivariant Gaussian Processescited by 6
- 2025Efficient Parametric SVD of Koopman Operator for Stochastic Dynamical Systemscited by 5
- 2025Information Shapes Koopman Representationcited by 4
- 2025A Spectral-Grassmann Wasserstein metric for operator representations of dynamical systemscited by 2
- 2025Sequence Modeling with Spectral Mean Flowscited by 2
- 2025kooplearn: A Scikit-Learn Compatible Library of Algorithms for Evolution Operator Learningcited by 1
- 2026Toeplitz Based Spectral Methods for Data-driven Dynamical Systemscited by 1
12 most cited of 16 All 16 (JSON)
- 2026Score the Algebra, Not the Span: Dimension Reduction for Transfer Operator Models of Dynamical Systems19 Aug 2026
- 2026Geometric Dictionary Learning of Dynamical Systems with Optimal Transport18 May 2026
- 2026Toeplitz Based Spectral Methods for Data-driven Dynamical Systems10 Feb 2026
- 2025kooplearn: A Scikit-Learn Compatible Library of Algorithms for Evolution Operator Learning24 Dec 2025
- 2025Revisiting Orbital Minimization Method for Neural Operator Decomposition24 Oct 2025
- 2025Sequence Modeling with Spectral Mean Flows17 Oct 2025
- 2025Information Shapes Koopman Representation14 Oct 2025
- 2025A Spectral-Grassmann Wasserstein metric for operator representations of dynamical systems29 Sep 2025
- 2025Efficient Parametric SVD of Koopman Operator for Stochastic Dynamical Systems9 Jul 2025
- 2025Self-Supervised Evolution Operator Learning for High-Dimensional Dynamical Systems24 May 2025
- 2025Predicting the Energy Landscape of Stochastic Dynamical System via Physics-informed Self-supervised Learning24 Feb 2025
- 2025Koopman-Equivariant Gaussian Processes10 Feb 2025
12 newest of 16 All 16 (JSON)