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A Differential and Pointwise Control Approach to Reinforcement Learning

NeurIPS 2025 · Reinforcement learning › Policy gradient and actor-critic · approach: Model-based RL with guarantees · 0 citations (OpenAlex)

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Proposes Differential RL, reformulating RL via a differential dual (Pontryagin/Hamiltonian) view, and dfPO, a stage-wise pointwise policy optimization algorithm with claimed convergence and O(K^{5/6}) regret, evaluated on surface modeling, grid control, and molecular dynamics against 12 RL baselines.

Problem

RL in continuous state-action scientific computing suffers from poor sample efficiency, lack of pathwise physical consistency, and weak theoretical guarantees, especially when rewards are only available along explored trajectories and no re-planning is allowed.

Approach

Reformulate RL as a continuous-time optimal control problem with a Hamiltonian (symplectic) differential dual, learn a discrete dynamics operator G = Id + Δt S∇g via a learned score function g over the extended state-adjoint space, and train it stage-wise with pointwise error guarantees.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use dfPO instead of the strongest baseline, CrossQSurface Modeling · Surfaceterminal cost: 6.42 -> 6.32Helped
Use dfPO instead of the strongest baseline, S-TRPOGrid-based Modeling · Gridterminal cost: 6.48 -> 6.06Helped
Use dfPO instead of the strongest baseline, DDPGMolecular Dynamics · Molecular Dynamicsterminal cost: 68.20 -> 53.34Helped
Set CrossQ number of critics to 10 (ablation)Reward-shaped CrossQ · Surfaceterminal cost: 6.42 -> 7.33Hurt
Set CrossQ number of critics to 2 (ablation)Reward-shaped CrossQ · Surfaceterminal cost: 6.42 -> 6.63Hurt
Set SAC entropy coefficient to 0.05 (ablation)Reward-shaped SAC · Gridterminal cost: 7.00 -> 6.97Helped
Set SAC entropy coefficient to 0.2 (ablation)Reward-shaped SAC · Surfaceterminal cost: 7.41 -> 8.23Hurt
Set TQC number of critics to 10 (ablation)Reward-shaped TQC · Molecular Dynamicsterminal cost: 76.87 -> 98.56Hurt
Set TQC number of quantiles to 5 (ablation)Reward-shaped TQC · Molecular Dynamicsterminal cost: 76.87 -> 84.36Hurt
Use Ornstein–Uhlenbeck action noise (ablation)Reward-shaped DDPG · Surfaceterminal cost: 15.92 -> 15.23Helped
Set DDPG target-update coefficient to 0.01 (ablation)Reward-shaped DDPG · Surfaceterminal cost: 15.92 -> 17.03Hurt
Set PPO clip coefficient to 0.1 (ablation)Reward-shaped PPO · Surfaceterminal cost: 20.61 -> 21.40Hurt

Surprising findings

Limitations

Experimental setup

Datasets: simulated surface modeling environment (random polygon initial shapes) grid-based PDE control environment (uniform initial coarse grids) octa-alanine molecular dynamics with PyRosetta energy

Benchmarks: surface modeling cost grid control cost octa-alanine molecular dynamics energy

Metrics: final mean evaluation cost F(s) at terminal step

Baselines: TRPO PPO DDPG SAC CrossQ TQC

Builds on: Pontryagin's Maximum Principle TRPO PPO SAC

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