Initial Structure to Relaxed Energy (IS2RE)
3 papers with code • 1 benchmarks • 1 datasets
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From this observation we derive "Noisy Nodes", a simple technique in which we corrupt the input graph with noise, and add a noise correcting node-level loss.
We introduce a novel approach to modeling angular information between sets of neighboring atoms in a graph neural network.
Based on this analysis, we identify a smaller dataset that correlates well with the full OC20 dataset, and propose the GemNet-OC model, which outperforms the previous state-of-the-art on OC20 by 16%, while reducing training time by a factor of 10.