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cs.LG2026
GraIP: A Benchmarking Framework For Neural Graph Inverse Problems
Semih Cantürk, Andrei Manolache, Arman Mielke +5
A wide range of graph learning tasks, such as structure discovery, temporal graph analysis, and combinatorial optimization, focus on inferring graph structures from data, rather th…
cs.LG2025
RETRO SYNFLOW: Discrete Flow Matching for Accurate and Diverse Single-Step Retrosynthesis
Robin Yadav, Qi Yan, Guy Wolf +2
A fundamental problem in organic chemistry is identifying and predicting the series of reactions that synthesize a desired target product molecule. Due to the combinatorial nature…
cs.LG2024
Towards Graph Foundation Models: A Study on the Generalization of Positional and Structural Encodings
Billy Joe Franks, Moshe Eliasof, Semih Cantürk +4
Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learn…