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cs.LG2025
Catalyst GFlowNet for electrocatalyst design: A hydrogen evolution reaction case study
Lena Podina, Christina Humer, Alexandre Duval +7
Efficient and inexpensive energy storage is essential for accelerating the adoption of renewable energy and ensuring a stable supply, despite fluctuations in sources such as wind a…
cs.LG2021
GraphSVX: Shapley Value Explanations for Graph Neural Networks
Alexandre Duval, Fragkiskos D. Malliaros
Graph Neural Networks (GNNs) achieve significant performance for various learning tasks on geometric data due to the incorporation of graph structure into the learning of node repr…