In reinforcement learning, continuous time is often discretized by a time scale δ, to which the resulting performance is known to be highly sensitive. In this work, we seek tofind aδ-invariantalgorithm for policygradient (PG) methods, which performs well regardless of the value ofδ. We first identify the underlying reasons that cause PG methods to fail asδ 0, proving that the variance of the PG estimator can diverge to infinity in stochastic environments under a certain assumption of stochasticity. While durative actions or action repetition can be employed to haveδ-invariance, previous action repetition methods cannot immediately react to unexpected situations in stochastic environments. We thus propose a novelδ-invariant method namedSafe Action Repetition (SAR) applicable to any existing PG algorithm. SAR can handle the stochasticity of environments byadaptivelyreacting tochanges instates during action repetition.

Proximal policy optimization (PPO) is one of the most popular deep reinforcement learning (RL) methods, achieving state-of-the-art performance across a wide range of challenging tasks. However, as a model-free RL method, the success of PPO relies heavily on the effectiveness of its exploratory policy search. In this paper, we give an in-depth analysis on the exploration behavior of PPO, and show that PPO is prone to suffer from the risk of lack of exploration especially under the case of bad initialization, which may lead to the failure of training or being trapped in bad local optima. To address these issues, we proposed a novel policy optimization method, named Trust Region-Guided PPO (TRGPPO), which adaptively adjusts the clipping range within the trust region. We formally show that this method not only improves the exploration ability within the trust region but enjoys a better performance bound compared to the original PPO as well. Extensive experiments verify the advantage of the proposed method.

In many environments, only a relatively small subset of the complete state space is necessary in order to accomplish a given task. We develop a simple technique using emergency stops (e-stops) to exploit this phenomenon. Using e-stops significantly improves sample complexity by reducing the amount of required exploration, while retaining a performance bound that efficiently trades off the rate of convergence with a small asymptotic sub-optimality gap. We analyze the regret behavior of e-stops and present empirical results in discrete and continuous settings demonstrating that our reset mechanism can provide order-of-magnitude speedups on top of existing reinforcement learning methods.

Arguably, intelligent agents ought to be able to discover their own questions so that in learning answers for them they learn unanticipated useful knowledge and skills; this departs from the focus in much of machine learning on agents learning answers to externally defined questions. We present a novel method for a reinforcement learning (RL) agent to discover questions formulated as general value functions or GVFs, a fairly rich form of knowledge representation. Specifically, our method uses non-myopic meta-gradients to learn GVF-questions such that learning answers to them, as an auxiliary task, induces useful representations for the main task faced by the RL agent. We demonstrate that auxiliary tasks based on the discovered GVFs are sufficient, on their own, to build representations that support main task learning, and that they do so better than popular hand-designed auxiliary tasks from the literature. Furthermore, we show, in the context of Atari2600 videogames, how such auxiliary tasks, meta-learned alongside the main task, can improve the data efficiency of an actor-critic agent.

Thompson sampling (TS) is widely used for stochastic multi-armed bandits, yet its inferential properties under adaptive data collection are subtle. Classical asymptotic theory for sample means can fail because arm-specific sample sizes are random and coupled with the rewards through the action-selection rule. We study this phenomenon in the $K$-armed Gaussian bandit and identify \emph{optimism} as a key mechanism for restoring \emph{stability}, a sufficient condition for valid asymptotic inference requiring each arm's pull count to concentrate around a deterministic scale. First, we prove that variance-inflated TS \citep{halder2025stable} is stable for any $K \ge 2$, including the challenging regime where multiple arms are optimal. This resolves the open question raised by \citet{halder2025stable} through extending their results from the two-armed setting to the general $K$-armed setting. Second, we analyze an alternative optimistic modification that keeps the posterior variance unchanged but adds an explicit mean bonus to posterior mean, and establish the same stability conclusion. In summary, suitably implemented optimism stabilizes Thompson sampling and enables asymptotically valid inference in multi-armed bandits, while incurring only a mild additional regret cost.

Effective reinforcement learning (RL) for complex stochastic systems requires leveraging historical data collected in previous iterations to accelerate policy optimization. Classical experience replay treats all past observations uniformly and fails to account for their varying contributions to learning. To overcome this limitation, we propose Variance Reduction Experience Replay (VRER), a principled framework that selectively reuses informative samples to reduce variance in policy gradient estimation. VRER is algorithm-agnostic and integrates seamlessly with existing policy optimization methods, forming the basis of our sample-efficient off-policy algorithm, Policy Gradient with VRER (PG-VRER). Motivated by the lack of rigorous theoretical analysis of experience replay, we develop a novel framework that explicitly captures dependencies introduced by Markovian dynamics and behavior-policy interactions. Using this framework, we establish finite-time convergence guarantees for PG-VRER and reveal a fundamental bias-variance trade-off: reusing older experience increases bias but simultaneously reduces gradient variance. Extensive empirical experiments demonstrate that VRER consistently accelerates policy learning and improves performance over state-of-the-art policy optimization algorithms.

Molecular geometry prediction of flexible molecules, or conformer search, is a long-standing challenge in computational chemistry. This task is of great importance for predicting structure-activity relationships for a wide variety of substances ranging from biomolecules to ubiquitous materials. Substantial computational resources are invested in Monte Carlo and Molecular Dynamics methods to generate diverse and representative conformer sets for medium to large molecules, which are yet intractable to chemoinformatic conformer search methods. We present TorsionNet, an efficient sequential conformer search technique based on reinforcement learning under the rigid rotor approximation. The model is trained via curriculum learning, whose theoretical benefit is explored in detail, to maximize a novel metric grounded in thermodynamics called the Gibbs Score. Our experimental results show that TorsionNet outperforms the highest-scoring chemoinformatics method by 4x on large branched alkanes, and by several orders of magnitude on the previously unexplored biopolymer lignin, with applications in renewable energy. TorsionNet also outperforms the far more exhaustive but computationally intensive Self-Guided Molecular Dynamics sampling method.

Many policy-based reinforcement learning (RL) algorithms can be viewed as instantiations of approximate policy iteration (PI), i.e., where policy improvement and policy evaluation are both performed approximately. In applications where the average reward objective is the meaningful performance metric, often discounted reward formulations are used with the discount factor being close to $1,$ which is equivalent to making the expected horizon very large.

The target network update frequency (TUF) is a central stabilization mechanism in (deep) Q-learning. However, their selection remains poorly understood and is often treated merely as another tunable hyperparameter rather than as a principled design decision. This work provides a theoretical analysis of target fixing in tabular Q-learning through the lens of approximate dynamic programming. We formulate periodic target updates as a nested optimization scheme in which each outer iteration applies an inexact Bellman optimality operator, approximated by a generic inner loop optimizer. Rigorous theory yields a finite-time convergence analysis for the asynchronous sampling setting, specializing to stochastic gradient descent in the inner loop. Our results deliver an explicit characterization of the bias-variance trade-off induced by the target update period, showing how to optimally set this critical hyperparameter. We prove that constant target update schedules are suboptimal, incurring a logarithmic overhead in sample complexity that is entirely avoidable with adaptive schedules. Our analysis shows that the optimal target update frequency increases geometrically over the course of the learning process.

Curriculum reinforcement learning (CRL) improves the learning speed and stability of an agent by exposing it to a tailored series of tasks throughout learning. Despite empirical successes, an open question in CRL is how to automatically generate a curriculum for a given reinforcement learning (RL) agent, avoiding manual design. In this paper, we propose an answer by interpreting the curriculum generation as an inference problem, where distributions over tasks are progressively learned to approach the target task. This approach leads to an automatic curriculum generation, whose pace is controlled by the agent, with solid theoretical motivation and easily integrated with deep RL algorithms. In the conducted experiments, the curricula generated with the proposed algorithm significantly improve learning performance across several environments and deep RL algorithms, matching or outperforming state-of-the-art existing CRL algorithms.