6 papers
Graph Learning Should Move Beyond Restrictive Views of Spectral and Message-Passing GNNs
Antonis Vasileiou, Juan Cervino, Pascal Frossard +7
Graph neural networks (GNNs) are commonly divided into message-passing neural networks (MPNNs) and spectral GNNs, reflecting two largely separate research traditions in machine lea…
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…
Can Computational Reducibility Lead to Transferable Models for Graph Combinatorial Optimization?
Semih Cantürk, Semih Cantürk, Thomas Sabourin +3
A key challenge in developing unified neural solvers for combinatorial optimization (CO) is the efficient generalization of models from a given set of tasks to new tasks unseen dur…
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…
Leveraging Parameter Space Symmetries for Reasoning Skill Transfer in LLMs
Stefan Horoi, Sangwoo Cho, Supriyo Chakraborty +4
Task arithmetic is a powerful technique for transferring skills between Large Language Models (LLMs), but it often suffers from negative interference when models have diverged duri…
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…