1 code implementation • 14 Jul 2023 • Renming Liu, Semih Cantürk, Olivier Lapointe-Gagné, Vincent Létourneau, Guy Wolf, Dominique Beaini, Ladislav Rampášek
Positional and structural encodings (PSE) enable better identifiability of nodes within a graph, as in general graphs lack a canonical node ordering.
1 code implementation • 8 Feb 2023 • Luis Müller, Mikhail Galkin, Christopher Morris, Ladislav Rampášek
Recently, transformer architectures for graphs emerged as an alternative to established techniques for machine learning with graphs, such as (message-passing) graph neural networks.
1 code implementation • 6 Feb 2023 • Dominic Masters, Josef Dean, Kerstin Klaser, Zhiyi Li, Sam Maddrell-Mander, Adam Sanders, Hatem Helal, Deniz Beker, Andrew Fitzgibbon, Shenyang Huang, Ladislav Rampášek, Dominique Beaini
We present GPS++, a hybrid Message Passing Neural Network / Graph Transformer model for molecular property prediction.
1 code implementation • 18 Nov 2022 • Dominic Masters, Josef Dean, Kerstin Klaser, Zhiyi Li, Sam Maddrell-Mander, Adam Sanders, Hatem Helal, Deniz Beker, Ladislav Rampášek, Dominique Beaini
This technical report presents GPS++, the first-place solution to the Open Graph Benchmark Large-Scale Challenge (OGB-LSC 2022) for the PCQM4Mv2 molecular property prediction task.
2 code implementations • 16 Jun 2022 • Vijay Prakash Dwivedi, Ladislav Rampášek, Mikhail Galkin, Ali Parviz, Guy Wolf, Anh Tuan Luu, Dominique Beaini
Graph Neural Networks (GNNs) that are based on the message passing (MP) paradigm generally exchange information between 1-hop neighbors to build node representations at each layer.
Ranked #3 on Link Prediction on PCQM-Contact
1 code implementation • 15 Jun 2022 • Renming Liu, Semih Cantürk, Frederik Wenkel, Sarah McGuire, Xinyi Wang, Anna Little, Leslie O'Bray, Michael Perlmutter, Bastian Rieck, Matthew Hirn, Guy Wolf, Ladislav Rampášek
Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry.
3 code implementations • 25 May 2022 • Ladislav Rampášek, Mikhail Galkin, Vijay Prakash Dwivedi, Anh Tuan Luu, Guy Wolf, Dominique Beaini
We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks.
Ranked #1 on Graph Property Prediction on ogbg-ppa
no code implementations • 27 Oct 2021 • Renming Liu, Semih Cantürk, Frederik Wenkel, Dylan Sandfelder, Devin Kreuzer, Anna Little, Sarah McGuire, Leslie O'Bray, Michael Perlmutter, Bastian Rieck, Matthew Hirn, Guy Wolf, Ladislav Rampášek
Graph neural networks (GNNs) have attracted much attention due to their ability to leverage the intrinsic geometries of the underlying data.
1 code implementation • 15 Jul 2021 • Ladislav Rampášek, Guy Wolf
Graph neural networks (GNNs) based on message passing between neighboring nodes are known to be insufficient for capturing long-range interactions in graphs.