A reinforcement learning approach to rare trajectory sampling
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Abstract (arXiv)
Very often when studying non-equilibrium systems one is interested in analysing dynamical behaviour that occurs with very low probability, so called rare events. In practice, since rare events are by definition atypical, they are often difficult to access in a statistically significant way. What are required are strategies to "make rare events typical" so that they can be generated on demand. Here we present such a general approach to adaptively construct a dynamics that efficiently samples atypical events. We do so by exploiting the methods of reinforcement learning (RL), which refers to the set of machine learning techniques aimed at finding the optimal behaviour to maximise a reward associated with the dynamics. We consider the general perspective of dynamical trajectory ensembles, whereby rare events are described in terms of ensemble reweighting. By minimising the distance between a reweighted ensemble and that of a suitably parametrised controlled dynamics we arrive at a set of methods similar to those of RL to numerically approximate the optimal dynamics that realises the rare behaviour of interest. As simple illustrations we consider in detail the problem of excursions of a random walker, for the case of rare events with a finite time horizon; and the problem of a studying current statistics of a particle hopping in a ring geometry, for the case of an infinite time horizon. We discuss natural extensions of the ideas presented here, including to continuous-time Markov systems, first passage time problems and non-Markovian dynamics.
Key facts. Cited by 21 papers in the map (data through 7 Oct 2026). First posted on arXiv 26 May 2020.
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Citing papers per year: 2021: 3; 2022: 4; 2023: 3; 2024: 4; 2025: 4; 2026: 3.
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- 2024Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Samplingcited by 25
- 2025Trust Region Constrained Measure Transport in Path Space for Stochastic Optimal Control and Inferencecited by 22
- 2025Action-Minimization Meets Generative Modeling: Efficient Transition Path Sampling with the Onsager-Machlup Functionalcited by 18
- 2021Reinforcement learning of rare diffusive dynamicscited by 14
- 2022Generative methods for sampling transition paths in molecular dynamicscited by 6
- 2024Discrete generative diffusion models without stochastic differential equations: a tensor network approachcited by 6
- 2025Average-Reward Soft Actor-Criticcited by 6
- 2026Rare Event Analysis of Large Language Modelscited by 6
- 2021Entropy Regularized Reinforcement Learning Using Large Deviation Theorycited by 5
- 2022Learning stochastic dynamics and predicting emergent behavior using transformerscited by 5
- 2022Combining Reinforcement Learning and Tensor Networks, with an Application to Dynamical Large Deviationscited by 4
- 2024Generalized Flow Matching for Transition Dynamics Modelingcited by 4
9 more
- 2023Pedestrian Trajectory Forecasting Using Deep Ensembles Under Sensing Uncertaintycited by 3
- 2022A Deep Reinforcement Learning Approach to Rare Event Estimationcited by 2
- 2025RL-PINNs: Reinforcement Learning-Driven Adaptive Sampling for Efficient Training of PINNscited by 2
- 2023Probing reaction channels via reinforcement learningcited by 1
- 2021Learn Quasi-stationary Distributions of Finite State Markov Chaincited by 0
- 2023Augmenting Control over Exploration Space in Molecular Dynamics Simulators to Streamline De Novo Analysis through Generative Control Policiescited by 0
- 2024Mixing Artificial and Natural Intelligence: From Statistical Mechanics to AI and Back to Turbulencecited by 0
- 2026AtomComposer: Discovering Chemical Space from First Principles with Reinforcement Learningcited by 0
- 2026Nonequilibrium Dynamics of Simple Exclusion Processes Across Dimensionscited by 0
- 2026Nonequilibrium Dynamics of Simple Exclusion Processes Across Dimensions26 Aug 2026
- 2026AtomComposer: Discovering Chemical Space from First Principles with Reinforcement Learning27 May 2026
- 2026Rare Event Analysis of Large Language Models6 Feb 2026
- 2025Trust Region Constrained Measure Transport in Path Space for Stochastic Optimal Control and Inference17 Aug 2025
- 2025Action-Minimization Meets Generative Modeling: Efficient Transition Path Sampling with the Onsager-Machlup Functional25 Apr 2025
- 2025RL-PINNs: Reinforcement Learning-Driven Adaptive Sampling for Efficient Training of PINNs17 Apr 2025
- 2025Average-Reward Soft Actor-Critic15 Jan 2025
- 2024Generalized Flow Matching for Transition Dynamics Modeling19 Oct 2024
- 2024Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling10 Oct 2024
- 2024Discrete generative diffusion models without stochastic differential equations: a tensor network approach15 Jul 2024
- 2024Mixing Artificial and Natural Intelligence: From Statistical Mechanics to AI and Back to Turbulence26 Mar 2024
- 2023Augmenting Control over Exploration Space in Molecular Dynamics Simulators to Streamline De Novo Analysis through Generative Control Policies26 Jun 2023
9 more
- 2023Probing reaction channels via reinforcement learning27 May 2023
- 2023Pedestrian Trajectory Forecasting Using Deep Ensembles Under Sensing Uncertainty26 May 2023
- 2022A Deep Reinforcement Learning Approach to Rare Event Estimation22 Nov 2022
- 2022Combining Reinforcement Learning and Tensor Networks, with an Application to Dynamical Large Deviations28 Sep 2022
- 2022Generative methods for sampling transition paths in molecular dynamics5 May 2022
- 2022Learning stochastic dynamics and predicting emergent behavior using transformers17 Feb 2022
- 2021Learn Quasi-stationary Distributions of Finite State Markov Chain19 Nov 2021
- 2021Entropy Regularized Reinforcement Learning Using Large Deviation Theory7 Jun 2021
- 2021Reinforcement learning of rare diffusive dynamics10 May 2021
- 2025Action-Minimization Meets Generative Modeling: Efficient Transition Path Sampling with the Onsager-Machlup Functionalcited by 18
- 2024Discrete generative diffusion models without stochastic differential equations: a tensor network approachcited by 6
- 2024Generalized Flow Matching for Transition Dynamics Modelingcited by 4
- 2024Mixing Artificial and Natural Intelligence: From Statistical Mechanics to AI and Back to Turbulencecited by 0
- 2025Action-Minimization Meets Generative Modeling: Efficient Transition Path Sampling with the Onsager-Machlup Functional25 Apr 2025
- 2024Generalized Flow Matching for Transition Dynamics Modeling19 Oct 2024
- 2024Discrete generative diffusion models without stochastic differential equations: a tensor network approach15 Jul 2024
- 2024Mixing Artificial and Natural Intelligence: From Statistical Mechanics to AI and Back to Turbulence26 Mar 2024
- 2024Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Samplingcited by 25
- 2025Trust Region Constrained Measure Transport in Path Space for Stochastic Optimal Control and Inferencecited by 22
- 2021Reinforcement learning of rare diffusive dynamicscited by 14
- 2022Generative methods for sampling transition paths in molecular dynamicscited by 6
- 2025Average-Reward Soft Actor-Criticcited by 6
- 2026Rare Event Analysis of Large Language Modelscited by 6
- 2021Entropy Regularized Reinforcement Learning Using Large Deviation Theorycited by 5
- 2022Learning stochastic dynamics and predicting emergent behavior using transformerscited by 5
- 2022Combining Reinforcement Learning and Tensor Networks, with an Application to Dynamical Large Deviationscited by 4
- 2023Pedestrian Trajectory Forecasting Using Deep Ensembles Under Sensing Uncertaintycited by 3
- 2022A Deep Reinforcement Learning Approach to Rare Event Estimationcited by 2
- 2025RL-PINNs: Reinforcement Learning-Driven Adaptive Sampling for Efficient Training of PINNscited by 2
12 most cited of 17 All 17 (JSON)
- 2026Nonequilibrium Dynamics of Simple Exclusion Processes Across Dimensions26 Aug 2026
- 2026AtomComposer: Discovering Chemical Space from First Principles with Reinforcement Learning27 May 2026
- 2026Rare Event Analysis of Large Language Models6 Feb 2026
- 2025Trust Region Constrained Measure Transport in Path Space for Stochastic Optimal Control and Inference17 Aug 2025
- 2025RL-PINNs: Reinforcement Learning-Driven Adaptive Sampling for Efficient Training of PINNs17 Apr 2025
- 2025Average-Reward Soft Actor-Critic15 Jan 2025
- 2024Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling10 Oct 2024
- 2023Augmenting Control over Exploration Space in Molecular Dynamics Simulators to Streamline De Novo Analysis through Generative Control Policies26 Jun 2023
- 2023Probing reaction channels via reinforcement learning27 May 2023
- 2023Pedestrian Trajectory Forecasting Using Deep Ensembles Under Sensing Uncertainty26 May 2023
- 2022A Deep Reinforcement Learning Approach to Rare Event Estimation22 Nov 2022
- 2022Combining Reinforcement Learning and Tensor Networks, with an Application to Dynamical Large Deviations28 Sep 2022
12 newest of 17 All 17 (JSON)