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1
- Intro
2
- Training & Parameterizing a GFlowNet
3
- Multi-Objective GFlowNets
4
- Limitations of Scalarisation
5
- Goal Conditioned GFlowNets
6
- Evaluation Metrics
7
- A Learned Focus Model & Results
8
- Towards Understanding & Improving GFlowNet Training
9
- Understanding GFlowNets on a Minimal Graph Problem
10
- Conclusions & Takeaways
11
- Q+A
Description:
Explore recent advancements in GFlowNets for molecular discovery in this 56-minute conference talk by Emmanuel Bengio from Valence Labs. Delve into multi-objective optimization using goal-based strategies and improved training techniques for both de-novo discovery and lead optimization. Gain insights into GFlowNets' potential for scientific discovery and active learning. The talk covers training and parameterizing GFlowNets, multi-objective approaches, limitations of scalarization, goal-conditioned GFlowNets, evaluation metrics, learned focus models, and understanding GFlowNet training through minimal graph problems. Conclude with key takeaways and a Q&A session to deepen your understanding of this cutting-edge approach to molecular design.

Improvements on GFlowNets Applied to Molecular Discovery

Valence Labs
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