36 citations · 84 across the 8 of their papers we have counts for
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cs.LG2022★ 2 cited
PhAST: Physics-Aware, Scalable, and Task-specific GNNs for Accelerated Catalyst Design
Alexandre Duval, Victor Schmidt, Santiago Miret +3
Mitigating the climate crisis requires a rapid transition towards lower-carbon energy. Catalyst materials play a crucial role in the electrochemical reactions involved in numerous…
cs.LG2022★ 36 cited
Higher-order Clustering and Pooling for Graph Neural Networks
Alexandre Duval, Fragkiskos Malliaros
Graph Neural Networks achieve state-of-the-art performance on a plethora of graph classification tasks, especially due to pooling operators, which aggregate learned node embeddings…