Chemical language models, combined with reinforcement learning, have shown significant promise to efficiently traverse large chemical spaces in drug design. However, the performance of various RL algorithms and their best practices for practical drug design are still unclear. Here, starting from the principles of the REINFORCE algorithm, we investigate the effect of different components from RL theory including experience replay, hill-climbing, baselines to reduce variance, and alternative reward shaping. Additionally we demonstrate how RL hyperparameters can be fine-tuned for effectiveness, efficiency, or chemical regularization as demonstrated using the MolOpt benchmark.

Reinforcement learning (RL) promises a framework for near-universal problem-solving. In practice however, RL algorithms are often tailored to specific benchmarks, relying on carefully tuned hyperparameters and algorithmic choices. Recently, powerful model-based RL methods have shown impressive general results across benchmarks but come at the cost of increased complexity and slow run times, limiting their broader applicability. In this paper, we attempt to find a unifying model-free deep RL algorithm that can address a diverse class of domains and problem settings. To achieve this, we leverage model-based representations that approximately linearize the value function, taking advantage of the denser task objectives used by model-based RL while avoiding the costs associated with planning or simulated trajectories. We evaluate our algorithm, MR.Q, on a variety of common RL benchmarks with a single set of hyperparameters and show a competitive performance against domain-specific and general baselines, providing a concrete step towards building general-purpose model-free deep RL algorithms.

Quantum computing promises advantages over classical computing. The manufacturing of quantum hardware is in the infancy stage, called the Noisy Intermediate-Scale Quantum (NISQ) era. A major challenge is automated quantum circuit design that map a quantum circuit to gates in a universal gate set. In this paper, we present a generic MDP modeling and employ Q-learning and DQN algorithms for quantum circuit design. By leveraging the power of deep reinforcement learning, we aim to provide an automatic and scalable approach over traditional hand-crafted heuristic methods.

Effective traffic signal control (TSC) is crucial in mitigating urban congestion and reducing emissions. Recently, reinforcement learning (RL) has been the research trend for TSC. However, existing RL algorithms face several real-world challenges that hinder their practical deployment in TSC: (1) Sensor accuracy deteriorates with increased sensor detection range, and data transmission is prone to noise, potentially resulting in unsafe TSC decisions. (2) During the training of online RL, interactions with the environment could be unstable, potentially leading to inappropriate traffic signal phase (TSP) selection and traffic congestion. (3) Most current TSC algorithms focus only on TSP decisions, overlooking the critical aspect of phase duration, affecting safety and efficiency. To overcome these challenges, we propose a robust two-stage fuzzy approach called FuzzyLight, which integrates compressed sensing and RL for TSC deployment. FuzzyLight offers several key contributions: (1) It employs fuzzy logic and compressed sensing to address sensor noise and enhances the efficiency of TSP decisions. (2) It maintains stable performance during training and combines fuzzy logic with RL to generate precise phases. (3) It works in real cities across 22 intersections and demonstrates superior performance in both real-world and simulated environments. Experimental results indicate that FuzzyLight enhances traffic efficiency by 48% compared to expert-designed timings in the real world. Furthermore, it achieves state-of-the-art (SOTA) performance in simulated environments using six real-world datasets with transmission noise. The code and deployment video are available at the URL1

Recent studies have successfully integrated large vision-language models (VLMs) into low-level robotic control by supervised fine-tuning (SFT) with expert robotic datasets, resulting in what we term vision-language-action (VLA) models. Although the VLA models are powerful, how to improve these large models during interaction with environments remains an open question. In this paper, we explore how to further improve these VLA models via Reinforcement Learning (RL), a commonly used fine-tuning technique for large models. However, we find that directly applying online RL to large VLA models presents significant challenges, including training instability that severely impacts the performance of large models, and computing burdens that exceed the capabilities of most local machines. To address these challenges, we propose iRe-VLA framework, which iterates between Reinforcement Learning and Supervised Learning to effectively improve VLA models, leveraging the exploratory benefits of RL while maintaining the stability of supervised learning. Experiments in two simulated benchmarks and a real-world manipulation suite validate the effectiveness of our method.

Despite its groundbreaking success, multi-agent reinforcement learning (MARL) still suffers from instability and nonstationarity. Replicator dynamics, the most well-known model from evolutionary game theory (EGT), provide a theoretical framework for the convergence of the trajectories to Nash equilibria and, as a result, have been used to ensure formal guarantees for MARL algorithms in stable game settings. However, they exhibit the opposite behavior in other settings, which poses the problem of finding alternatives to ensure convergence. In contrast, innovative dynamics, such as the Brown-von Neumann-Nash (BNN) or Smith, result in periodic trajectories with the potential to approximate Nash equilibria. Yet, no MARL algorithms based on these dynamics have been proposed. In response to this challenge, we develop a novel experience replay-based MARL algorithm that incorporates revision protocols as tunable hyperparameters. We demonstrate, by appropriately adjusting the revision protocols, that the behavior of our algorithm mirrors the trajectories resulting from these dynamics. Importantly, our contribution provides a framework capable of extending the theoretical guarantees of MARL algorithms beyond replicator dynamics. Finally, we corroborate our theoretical findings with empirical results.

Benchmarking and establishing proper statistical validation metrics for reinforcement learning (RL) remain ongoing challenges, where no consensus has been established yet. The emergence of quantum computing and its potential applications in quantum reinforcement learning (QRL) further complicate benchmarking efforts. To enable valid performance comparisons and to streamline current research in this area, we propose a novel benchmarking methodology, which is based on a statistical estimator for sample complexity and a definition of statistical outperformance. Furthermore, considering QRL, our methodology casts doubt on some previous claims regarding its superiority. We conducted experiments on a novel benchmarking environment with flexible levels of complexity. While we still identify possible advantages, our findings are more nuanced overall. We discuss the potential limitations of these results and explore their implications for empirical research on quantum advantage in QRL.

Accurately predicting the wind power output of a wind farm across various time scales utilizing Wind Power Forecasting (WPF) is a critical issue in wind power trading and utilization. The WPF problem remains unresolved due to numerous influencing variables, such as wind speed, temperature, latitude, and longitude. Furthermore, achieving high prediction accuracy is crucial for maintaining electric grid stability and ensuring supply security. In this paper, we model all wind turbines within a wind farm as graph nodes in a graph built by their geographical locations. Accordingly, we propose an ensemble model based on graph neural networks and reinforcement learning (EMGRL) for WPF. Our approach includes: (1) applying graph neural networks to capture the time-series data from neighboring wind farms relevant to the target wind farm; (2) establishing a general state embedding that integrates the target wind farm's data with the historical performance of base models on the target wind farm; (3) ensembling and leveraging the advantages of all base models through an actor-critic reinforcement learning framework for WPF.

This paper introduces a novel method for estimating the self-interest level of computationally intractable Markov social dilemmas. We extend the concept of self-interest level from normal-form games to Markov games, providing a quantitative measure of the minimum reward exchange required to incentivize cooperation by aligning individual and collective interests. We demonstrate our method on three environments from the Melting Pot suite: which represent either common-pool resources or public goods. Our results show that the proposed method successfully identifies a threshold at which learning agents transition from selfish to cooperative equilibria in a Markov social dilemma. This work contributes to the fields of Cooperative AI and multiagent reinforcement learning by providing a practical tool for analysing complex, multistep social dilemmas. Our findings offer insights into how reward structures can promote or hinger cooperation in challenging multiagent scenarios, with potential applications in areas such as mechanism design.

Lyapunov optimization theory has recently emerged as a powerful mathematical framework for solving complex stochastic optimization problems by transforming long-term objectives into a sequence of real-time short-term decisions while ensuring system stability. This theory is particularly valuable in unmanned aerial vehicle (UAV)-based low-altitude economy (LAE) networking scenarios, where it could effectively address inherent challenges of dynamic network conditions, multiple optimization objectives, and stability requirements. Recently, generative artificial intelligence (GenAI) has garnered significant attention for its unprecedented capability to generate diverse digital content. Extending beyond content generation, in this paper, we propose a framework integrating generative diffusion models with reinforcement learning to address Lyapunov optimization problems in UAV-based LAE networking. We begin by introducing the fundamentals of Lyapunov optimization theory and analyzing the limitations of both conventional methods and traditional AI-enabled approaches. We then examine various GenAI models and comprehensively analyze their potential contributions to Lyapunov optimization. Subsequently, we develop a Lyapunov-guided generative diffusion model-based reinforcement learning framework and validate its effectiveness through a UAV-based LAE networking case study. Finally, we outline several directions for future research.