arXiv Machine Learning

Spectral Flow Certificates for Depth-Aware Long-Range Propagation in Graph Neural Networks

arXiv:2607. 21607v1 Announce Type: cross Abstract: Graph Neural Networks propagate information through local message passing, but the graph topologies themselves can silently prevent any amount of training from solving long-range tasks.

Hugging Face Trending Papers
Aug 3

CoRe-GNN: Multilevel Message passing on Coarsened graphs

Training Graph Neural Networks on large graphs is challenged by the memory cost of storing all node representations across layers. We show that several existing scalable approaches can be written as structured modifications of the GNN propagation matrix, providing a unified perspective that exposes their respective limitations.

arXiv Machine Learning
Aug 6

Geometry-Informed Parameter-Efficient Fine-Tuning of Pre-trained Molecular GNNs for Blood-Brain Barrier Permeability Prediction

arXiv:2608. 04257v1 Announce Type: new Abstract: Blood-brain barrier permeability (BBBP) prediction is a critical screening task in central nervous system drug discovery, where candidate molecules must be assessed for whether they can cross, or should be prevented from crossing, the blood-brain barrier.

By Marco Vieto Vega, Long D. Nguyen, Binh P. Nguyen