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Sample Efficient Generative Molecular Optimization with Joint Self-Improvement
Joint Self-Improvement uses a joint generative-predictive model and self-improving sampling to reduce distribution shift and efficiently generate optimized molecules under limited evaluation budgets.
Sydney Poster Session 5, Thu, Dec 10, 10:00 AM–1:00 PM, Hall 1-4 · Published 2026
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AI panel: 9 of 20 reviewers recommend it
lenient 5/5
medium 4/10
strict 0/5