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Showing 2024 · cs.LGShow all
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cs.LG2024
Multi-Class and Multi-Task Strategies for Neural Directed Link Prediction
Claudio Moroni, Claudio Borile, Carolina Mattsson +2
Link Prediction is a foundational task in Graph Representation Learning, supporting applications like link recommendation, knowledge graph completion and graph generation. Graph Ne…
cs.LG2024★ 58 cited
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations
Raul P. Pelaez, Guillem Simeon, Raimondas Galvelis +6
Achieving a balance between computational speed, prediction accuracy, and universal applicability in molecular simulations has been a persistent challenge. This paper presents subs…