Condensing Graphs via One-Step Gradient Matching
Abstract
As training deep learning models on large dataset takes a lot of time and resources, it is desired to construct a small synthetic dataset with which we can train deep learning models sufficiently. There are recent works that have explored solutions on condensing image datasets through complex bi-level optimization. For instance, dataset condensation (DC) matches network gradients w.r.t. large-real data and small-synthetic data, where the network weights are optimized for multiple steps at each outer iteration. However, existing approaches have their inherent limitations: (1) they are not directly applicable to graphs where the data is discrete; and (2) the condensation process is computationally expensive due to the involved nested optimization. To bridge the gap, we investigate efficient dataset condensation tailored for graph datasets where we model the discrete graph structure as a probabilistic model. We further propose a one-step gradient matching scheme, which performs gradient matching for only one single step without training the network weights. Our theoretical analysis shows this strategy can generate synthetic graphs that lead to lower classification loss on real graphs. Extensive experiments on various graph datasets demonstrate the effectiveness and efficiency of the proposed method. In particular, we are able to reduce the dataset size by $90$\
Benchmark Results
Tested on 6 datasets Non-standard metric on 1 dataset
Tables show presented results in global context (best 3 papers + GCN + MLP).
Classic
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | GraphSAGE+CNA | 0.9418
±0.0033 | |
| 2 | GCN+CNA | 0.9366
±0.0048 | |
| 3 | TransformerConv | 0.9350
±0.0058 | |
| 21 | GCN | 0.9004 | |
| 574 | Whole Dataset | 0.8150 | This paper |
| 724 | MLP | 0.7768 |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | CNA | 0.9575
±0.0058 | |
| 2 | IS-GIB | 0.9390
±0.0187 | |
| 3 | EERM | 0.9112
±0.0145 | |
| 44 | GCN | 0.8033
±0.0088 | |
| 350 | MLP | 0.7289
±0.0010 | |
| 487 | Whole Dataset | 0.7170 | This paper |
| 559 | one-step gradient matching scheme | 0.7100 | This paper |
| 572 | GCond | 0.7080
±0.0450 best reported | best today: TinyGraph: Joint Feature and Node Condensation for Graph Neural Networks (2024) Difference within reported uncertainty; not counted as underperformance. |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | LGTL | 0.9518
±0.0011 | |
| 2 | MixHop (LO) | 0.9513
±0.0038 | |
| 3 | GraphSAGE (LO) | 0.9511
±0.0036 | |
| 18 | GCN | 0.9296
±0.0015 | |
| 210 | MLP | 0.8690
±0.0074 | |
| 547 | Whole Dataset | 0.7930 | This paper |
| 690 | GCond | 0.7790 | This paper |
| 771 | one-step gradient matching scheme | 0.7600 | This paper |
OGB
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | Multi-RF Fusion with Multi-GNN Blending | 0.8476
±0.0002 | |
| 2 | HyperFusion | 0.8475
±0.0003 | |
| 3 | PAS+FPs | 0.8420
±0.0015 | |
| 9 | GatedGCN | 0.8090
±0.0160 | |
| 109 | GIN | 0.7780
±0.0182 | |
| 214 | Whole Dataset | 0.7570
±0.0070 | This paper |
| 272 | one-step gradient matching scheme | 0.7310
±0.0040 | This paper |
| 277 | DCG | 0.7280
±0.0020 best reported | best today: Two Trades are not Baffled: Condensing Graph via Crafting Rational Gradient Matching (2024) Difference within reported uncertainty; not counted as underperformance. |
| 280 | Herding | 0.7250
±0.0060 best reported | best today: Two Trades are not Baffled: Condensing Graph via Crafting Rational Gradient Matching (2024) Difference within reported uncertainty; not counted as underperformance. |
| 281 | K-Center | 0.7250
±0.0060 best reported | best today: Two Trades are not Baffled: Condensing Graph via Crafting Rational Gradient Matching (2024) Difference within reported uncertainty; not counted as underperformance. |
| 284 | Random | 0.7210
±0.0140 best reported | best today: Two Trades are not Baffled: Condensing Graph via Crafting Rational Gradient Matching (2024) Difference within reported uncertainty; not counted as underperformance. |
ogbg-molpcba
Global leaderboard →Sorted by ROC-AUC. Highlighted rows are from other papers.
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | PrunE | 0.8159
±0.0535 | |
| 2 | EGTAS | 0.7919
±0.0137 | |
| 3 | UGTs | 0.7840 | |
| 12 | GIN | 0.7042
±0.0478 | |
| 31 | Whole Dataset | 0.6460
±0.0040 | This paper |
| 32 | one-step gradient matching scheme | 0.6200
±0.0070 | This paper |
| 34 | Herding | 0.6170
±0.0030 | This paper |
| 35 | Random | 0.6060
±0.0200 | This paper |
| 36 | DCG | 0.5790
±0.0320 | This paper |
| 37 | K-Center | 0.5760
±0.0190 | This paper |
GNNBenchmark
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | RandAlign | 0.7942
±0.0007 | |
| 2 | differential encoding | 0.7907
±0.0027 | |
| 3 | PPGT | 0.7856
±0.0070 | |
| 62 | GatedGCN | 0.7133
±0.0039 | |
| 92 | GraphSAGE | 0.6690
±0.0020 | |
| 126 | MLP | 0.5634
±0.0018 | |
| 134 | Whole Dataset | 0.5075
±0.0014 | This paper |
| 135 | one-step gradient matching scheme | 0.3534
±0.0014 | This paper |
| 136 | DCG | 0.3447
±0.0052 | This paper |
| 137 | Herding | 0.3394
±0.0037 | This paper |
| 138 | Random | 0.3056
±0.0081 | This paper |
| 139 | K-Center | 0.2417
±0.0051 | This paper |
