Review for NeurIPS paper: Goal-directed Generation of Discrete Structures with Conditional Generative Models
–Neural Information Processing Systems
The authors propose an RL-inspired way of fitting a conditional generative model to the training data with the aim of generating discrete structures, such as molecules, satisfying some desired properties. Unlike policy gradients in RL, the proposed algorithm does not require sampling from the model/policy, instead approximating the expectation of interest using the training data reweighted with the normalized rewards. This is done to avoid high gradient variance of policy gradient algorithms. The reviewers liked the novelty of the approach to this important problem. While the experimental results are not spectacular and there were some concerns about missing RL baselines and connections to reward-augmented ML, the author response addressed them in large part.
Neural Information Processing Systems
Feb-8-2025, 11:42:49 GMT
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