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Paper · arXiv

Advancing Optimal Subset Oracle via Learning Relaxation of Neural Set Functions

Learning neural set functions is pivotal to a wide range of important applications, including compound selection in AI-driven drug discovery and product recommendation. Recent work has introduced optimal subset oracles to implicitly learn set functions under practical weakly supervised settings, where model parameters are optimized through mean-field variational inference. However, these frameworks rely on Monte Carlo sampling to estimate gradients of the evidence lower bound when updating the variational distribution. Repeated sampling across iterations incurs substantial computational overhead, while the resulting stochasticity can destabilize the optimization trajectory. In this work, ...

AuthorsYongquan Shi, Zijing Ou, Shiping Wang et al.
Primary categorycs.LG
Published13 July 2026
Last updated at source30 September 2026
cs.LG
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