An Empirical Study of the Effectiveness of Using a Replay Buffer on Mode Discovery in GFlowNets
Keywords: GFlowNets, Reinforcement learning, RL, Generative modelling, Drug discovery, Replay buffer, Experience Replay
TL;DR: An empirical analysis investigating the efficacy of incorporating replay buffer on mode discovery in GFlowNet training.
Abstract: Reinforcement Learning (RL) algorithms aim to learn an optimal policy by iteratively sampling actions to learn how to maximize the total expected return, $R(x)$. GFlowNets are a special class of algorithms designed to generate diverse candidates, $x$, from a discrete set, by learning a policy that approximates the proportional sampling of $R(x)$. GFlowNets exhibit improved mode discovery compared to conventional RL algorithms, which is very useful for applications such as drug discovery and combinatorial search. However, since GFlowNets are a relatively recent class of algorithms, many techniques which are useful in RL have not yet been associated with them. In this paper, we study the utilization of a replay buffer for GFlowNets. We explore empirically various replay buffer sampling techniques and assess the impact on the speed of mode discovery and the quality of the modes discovered. Our experimental results in the Hypergrid toy domain and a molecule synthesis environment demonstrate significant improvements in mode discovery when training with a replay buffer, compared to training only with trajectories generated on-policy.
Submission Number: 92
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