pyg-team/pytorch_geometric

Graph Positional and Structural Encoder

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#8,310 opened on Nov 1, 2023

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Description

🚀 The feature, motivation and pitch

It would be great to add the "GPSE" (Graph Positional and Structural Encoder) module to PyG, which acts as a trained encoder for Graph Transformers. Most importantly, we should support loading pre-trained encoders and provide them to the user, e.g., via

encoder = GPSE.from_pretrained("molpcba")

Code: https://github.com/G-Taxonomy-Workgroup/GPSE Paper: https://arxiv.org/abs/2307.07107 Twitter: https://twitter.com/RemyLau3/status/1717194030986190899

Any help on this is highly appreciated :)

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Contributor guide

Research direction
Study the GPSE paper and reference implementation, then integrate the pre trained encoder loading mechanism into PyG's model zoo.
Tech stack
pythonpytorch
Domain
machine learningapi
Issue type
Feature
DifficultyEstimated implementation difficulty for a new contributor, from 1 for very small changes to 5 for expert-level work.
3
Estimated timeA rough time range for an experienced contributor to investigate, implement, test, and prepare a pull request.
Half day
Activity statusHow available the issue appears right now: fresh, active, stale, blocked, or waiting on maintainer input.
Active
ClarityHow clearly the issue explains the expected change, acceptance criteria, and next step.
Clear
Prerequisites
PythonPyTorchGit
Newbie friendlinessA 1-100 score estimating how approachable this issue is for first-time contributors.
50