Recent developments in reinforcement learning (RL) led to algorithms that surpass human experts in a broad range of tasks [Mnih et al., 2015, Vinyals et al., 2019, Schrittwieser et al., 2020, Wurman et al.,

The ability to approach the same problem from different angles is a cornerstone of human intelligence that leads to robust solutions and effective adaptation to problem variations. In contrast, current RL methodologies tend to lead to policies that settle on a single solution to a given problem, making them brittle to problem variations. Replicating human flexibility in reinforcement learning agents is the challenge that we explore in this work.

Whether itispossible tolearn intrinsic reward functions for learning agents remains an open problem.

Conversational Recommender Systems (CRS) actively elicit user preferences to generate adaptive recommendations. Mainstream reinforcement learning-based CRS solutions heavily rely on handcrafted reward functions, which may not be aligned with user intent in CRS tasks.

Much of this effort has focused on the single-agent setting, in which an agent maximizes a predefined extrinsic reward function.

In this paper we build on the Optimal Rewards Framework of Singh et al. [2010] that defines the optimal intrinsic reward function as one that when used by an RL agent achieves behavior that optimizes the

In many real-world applications, evaluating the quality of instances is costly and time-consuming, e.g., human feedback and physics simulations, in contrast to proposing new instances. In particular, this is even more critical in reinforcement learning, since it relies on interactions with the environment (i.e., new instances) that must be evaluated to provide a reward signal for learning. At the same time, performing sufficient exploration is crucial in reinforcement learning to find high-rewarding solutions, meaning that the agent should observe and learn from a diverse set of experiences to find different solutions. Thus, we argue that learning from a diverse mini-batch of experiences can have a large impact on the exploration and help mitigate mode collapse. In this paper, we introduce mini-batch diversification for reinforcement learning and study this framework in the context of a real-world problem, namely, drug discovery. We extensively evaluate how our proposed framework can enhance the effectiveness of chemical exploration in de novo drug design, where finding diverse and high-quality solutions is crucial. Our experiments demonstrate that our proposed diverse mini-batch selection framework can substantially enhance the diversity of solutions while maintaining high-quality solutions. In drug discovery, such an outcome can potentially lead to fulfilling unmet medical needs faster.