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atomic structure optimization

2 papers

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Co-occurring keywords · papers mentioning both

graph neural network (1) atomic structural optimization (1) local minima (1) structure discovery (1) learned optimization (1) energy landscape (1) loss landscape (1) non-convex optimization (1) reinforcement learning (1)

Papers

StriderNet: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes ICML 2023 Learn2Hop: Learned Optimization on Rough Landscapes ICML 2021