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GSoC 23 Progress

Created on July 26|Last edited on September 25
Developed an efficient Ego QGNN Architecture in JAX and TensorCircuit.


Node 0:
1 hop neighbours: 1, 2, 5, 3
2 hop neighbours: 4, 6
3 hop neighbours: 7
Have to perform padding each ego-graph.
Now the shape of the dataset is (N, MaxNodes, NumHops, MaxNodes in a ego graph).
Training on MUTAG. Overfitting.


Next steps:
Explore distributed training with JAX for training on quark gluon.


Ego graphs with Quark Gluon

Dataset

The number of qubits quickly scales up with the number of k-hop neighbours.
Tested with only 1000 samples of the dataset
+----------+----------+
| k | # qubits |
+----------+----------|
| 1 | 6 |
| 2 | 23 |
| 3 | 41 |
| 4 | 47 |
| 5 | 54 |
+----------+----------+
Too slow with higher values of k.
Figure from pennylane blog.

Hyperparameter-free and Explainable Whole Graph Embedding

Paper
Based on Degree, H-index and coreness and Shannon entropy.
Can be used be data-reuploading circuit and therefore this leads to a single qubit QNN.