microsoft / microsoft/Graphormer
Evidential deep learning and other feature requests
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- Python
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Description
Dear Graphormer authors,
thanks for this great piece of software!
I have some feature requests.
Can you please add the functionality for evidential deep learning?
See article:
ACS Cent. Sci. 2021, 7, 8, 1356–1367
Please add the 10 smaller datasets from MoleculeNet to the benchmarks. They are ogbg-moltox21, ogbg-molbace, ogbg-molbbbp, ogbg-molclintox, ogbg-molmuv, ogbg-molsider, and ogbg-moltoxcast for (multi-task) binary classification, and ogbg-molesol, ogbg-molfreesolv, and ogbg-mollipo for regression.
See https://ogb.stanford.edu/docs/graphprop/
Please add functionality for molecular representation pre-training via attribute masking
See Strategies for Pre-training Graph Neural Networks
Please add metrics described in the Regression Metrics Guide
As the manual selection of parameters for a graph neural network is difficult, please add support
for some of the automated machine learning techniques.
See for example techniques described in AutoGL
Many thanks.
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Research direction
No repository files, tests, or entry points are named. Start by separating the requests into independently scoped issues and locating the existing training, benchmarking, metrics, and pre-training entry points. Done should mean that one agreed feature is implemented with documented evaluation and tests or benchmark results.
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Assessment
- Tech stack
- python
- Domain
- machine-learning
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 15/100