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#molecular-generation News & Analysis

2 articles tagged with #molecular-generation. AI-curated summaries with sentiment analysis and key takeaways from 50+ sources.

2 articles
AIBullisharXiv – CS AI · Feb 277/103
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Controlling Exploration-Exploitation in GFlowNets via Markov Chain Perspectives

Researchers introduce α-GFNs, an enhanced version of Generative Flow Networks that allows tunable control over exploration-exploitation dynamics through a parameter α. The method achieves up to 10× improvement in mode discovery across various benchmarks by addressing constraints in traditional GFlowNet objectives through Markov chain theory.

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AINeutralarXiv – CS AI · Apr 206/10
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Reward Weighted Classifier-Free Guidance as Policy Improvement in Autoregressive Models

Researchers demonstrate that reward-weighted classifier-free guidance (RCFG) can dynamically adjust autoregressive model outputs to optimize arbitrary reward functions at test time without retraining. Applied to molecular generation, this approach enables real-time optimization of competing objectives and accelerates reinforcement learning convergence when used as a teacher for policy distillation.