Can Computational Reducibility Lead to Transferable Models for Graph Combinatorial Optimization?
Organizations: Dept. of Computer Science and Operations Research, Université de Montréal · Mila – Quebec AI Institute · Dept. of Mathematics & Statistics, Université de Montréal · Valence Labs · Dept. of Mathematics, Boise State University
Abstract
A key challenge in developing unified neural solvers for combinatorial optimization (CO) is the efficient generalization of models from a given set of tasks to new tasks unseen during initial training. To address this, we first establish a new GNN encoder, which uses a GCON module as a form of expressive message passing together with energy-based unsupervised loss functions. This model achieves highly competitive performance across multiple CO tasks when trained individually on each task. We then leverage knowledge from the computational reducibility literature to propose pretraining and fine-tuning strategies that transfer effectively (a) between MVC, MIS and MaxClique, and (b) in a multi-task learning setting that additionally incorporates MaxCut, MDS and graph coloring. Additionally, in a leave-one-out, multi-task learning setting, we observe that pretraining on all but one task almost always leads to faster convergence on the remaining task when fine-tuning, while avoiding negative transfer. Our findings indicate that learning common representations across multiple graph CO problems is viable through the use of expressive message passing coupled with pretraining strategies that are informed by the polynomial reducibility literature, thereby taking an important step towards enabling the development of foundational models for neural CO. We provide an open source implementation of our work at https://github.com/semihcanturk/COPT-MT.
Figures & tables
| CO Problem | Objective: |
|---|---|
| MIS | |
| MDS | |
| MaxClique | |
| MaxCut | where |
| MVC | |
| -Coloring |
| Method | Type | MVC | MClique | MIS |
|---|---|---|---|---|
| True Size | — | 206.95 | 19.07 | 20.07 |
| GUROBI | OR | — | † 19.05 † | † 19.98 † |
| GFN | SSL | — | 16.24 | 19.18 |
| GCN | SSL-GNN | 221.56 0.05 | 15.33 0.04 | 17.67 0.20 |
| GIN | SSL-GNN | 221.63 0.23 | 15.28 0.14 | 17.50 0.04 |
| GATv2 | SSL-GNN | 220.76 2.26 | 15.56 0.09 | 17.58 0.07 |
| GNN | Out-head | MIS | MVC |
|---|---|---|---|
| Baseline | 18.12 0.11 | 211.69 0.16 | |
| Freeze | Reset + FT | 17.68 0.04 | 212.46 0.25 |
| Freeze | Invert + FT | 17.69 0.05 | 212.39 0.21 |
| FT | Invert + FT | 18.00 0.05 | 211.56 0.24 |
| # | Feats | GNN Stack | GT | Comp? | MC Size |
|---|---|---|---|---|---|
| 1 | Baseline | — | False | 16.92 0.13 | |
| 2 | Baseline | — | False | 16.63 0.05 | |
| 3 | Random | — | False | 10.71 0.14 | |
| 4 | Frozen | — | False | 16.12 0.20 | |
| 5 | Fine-tuned | — | False | 16.55 0.03 | |
| 6 | Frozen | — | False | 15.98 0.12 |
| Task | From Scratch | Fine-tuned |
|---|---|---|
| MaxCut | 716.81 3.00 | 722.40 1.17 |
| MaxClique | 00 4.31 0.01 | 00 4.32 0.01 |
| MDS | 0 35.57 2.41 | 0 36.15 1.87 |
| MIS | 111.33 0.20 | 111.56 0.10 |
| MVC | 141.30 0.27 | 140.04 0.33 |
| Color | 00 61.92 36.11 | 0 24.19 9.08 |
| MaxCut | MaxClique | MIS | MVC | Color |
| 33.36 | 41.34 | 41.40 | 34.68 | 45.29 |
| Task | Fine-tuned | Baseline | Full |
|---|---|---|---|
| MaxCut | 722.77 1.00 | 716.90 1.55 | 726.58 0.51 |
| MaxClique | 00 4.32 0.01 | 00 4.31 0.00 | 00 4.43 0.02 |
| MDS | 0 29.65 0.09 | 0 33.93 1.15 | 0 29.56 0.22 |
| MIS | 111.94 0.06 | 111.33 0.26 | 112.23 0.06 |
| MVC | 139.70 0.31 | 141.43 0.23 | 139.40 0.20 |
| Coloring | 0 17.29 1.97 | 00 49.04 21.84 | 00 3.52 1.52 |
Appendix figures & tables8 assets
Supplementary material from the paper’s appendix.
Appendix
| Parameter | Value |
|---|---|
| Architecture Details | |
| Number of GCON Layers | 16 |
| Hidden Dimension ( ) | 64 |
| Channels (Filters) | [0], [1], [2], [4], [0,1], [1,2], [2,4] |
| Aggregation | Sum |
| Dropout Rate | 0.3 |
| Reduction | # Nodes | MDS size | # Edges | MDS size |
|---|---|---|---|---|
| MDS (Base) | 250.3 28.9 | – | 0 985.0 115.8 | – |
| MIS | 1239.0 146.8 | 4.95 | 2964.0 352.3 | 3.01 |
| MVC | 1239.0 146.8 | 4.95 | 2964.0 352.3 | 3.01 |
| MaxClique | 30873.7 7148.0 | 123.37 | 0 91870.3 21357.4 | 93.27 |
| Method | MDS | MVC | MIS | MaxClique |
|---|---|---|---|---|
| (MDS Red.) Random | 120.43 25.3 | 190.11 36.9 | 0 59.87 40.1 | 1.61 1.04 |
| (MDS Red.) Base (20 epochs) | * 31.37 0.62* | 165.21 0.96 | 0 80.99 6.42 | 2.98 0.12 |
| (MDS Red.) 0-shot | * 31.37 0.62* | 148.21 2.53 | 102.78 2.53 | 2.46 0.44 |
| (MDS Red.) F-BB | - | 144.59 1.35 | 106.25 1.35 | 2.27 0.14 |
| (MDS Red.) FT | - | 142.79 1.37 | 106.45 0.92 | 2.82 0.01 |
| (MTL) FT (w/ Graph Stats) | 32.03 0.66 | 139.31 0.17 | 111.96 0.02 | 4.34 0.01 |
| Problem | Fine-tuned | Baseline | Full |
|---|---|---|---|
| MaxCut | 2935.82 0.63 | 2926.39 2.46 | 2946.01 6.00 |
| MaxClique | 000 4.31 0.03 | 000 4.32 0.01 | 000 4.41 0.02 |
| MDS | 0 109.72 0.16 | 00 129.64 12.74 | 01 121.20 10.38 |
| MIS | 0 453.51 0.17 | 0 452.59 0.07 | 00 454.77 0.13 |
| MVC | 0 550.55 0.36 | 0 554.53 1.22 | 00 548.86 0.35 |
| Coloring | 00 31.40 5.29 | 00 53.48 4.53 | 000 10.61 2.95 |
| BA-large | BA-small | |||||||
|---|---|---|---|---|---|---|---|---|
| Problem | Fine-tuned | Extrapol. | Diff | Baseline | Fine-tuned | Extrapol. | Diff | Baseline |
| MaxCut | 2935.8 0.6 | 2936.0 0.1 | +0.01% | 2926.4 2.5 | 722.8 1.0 | 722.0 1.4 | -0.11% | 716.9 1.5 |
| MaxClique | 00 4.31 0.03 | 00 4.30 0.02 | -0.24% | 00 4.32 0.01 | 00 4.32 0.01 | 00 4.34 0.01 | +0.49% | 00 4.31 0.00 |
| MDS | 109.7 0.2 | 111.9 0.8 | +2.01% | 0 129.6 12.7 | 0 29.6 0.1 | 0 29.2 0.1 | -1.61% | 0 33.9 1.2 |
| MIS | 453.5 0.2 | 453.9 0.2 | +0.08% | 452.6 0.1 | 111.9 0.1 | 111.8 0.0 | -0.10% | 111.3 0.3 |
| MVC | 550.5 0.4 | 550.9 0.3 | +0.06% | 554.5 1.2 | 139.7 0.3 | 139.8 0.2 | +0.09% | 141.4 0.2 |
| Problem | BA-large | BA-small |
|---|---|---|
| MaxCut | 00 6.23 | 0 2.23 |
| MaxClique | 0 48.95 | 32.58 |
| MDS | 0 46.42 | 10.65 |
| MIS | 0 65.11 | 22.78 |
| MVC | 137.52 | 31.39 |
| Coloring | 00 6.38 | 0 2.84 |
| Method | Type | MVC Time | MClique Time | MIS Time |
|---|---|---|---|---|
| True Size | — | — | — | — |
| Gurobi | OR | — | 1:55 | 47:34 |
| GFN | SSL | — | 0:42 | 0:32 |
| GCN | SSL-GNN | 1:29 | 0:57 | 0:45 |
| GIN | SSL-GNN | 1:24 | 0:55 | 0:35 |
| GATv2 | SSL-GNN | 1:26 | 1:02 | 0:57 |
| Graph name | Pretrained | Random | Best known |
|---|---|---|---|
| C1000.9 | 56 | 29 | 68 |
| C125.9 | 32 | 25 | 34 |
| C2000.5 | 11 | 9 | 16 |
| C2000.9 | 48 | 28 | 80 |
| C250.9 | 36 | 28 | 44 |
| C400.5 | 10 | 8 | 18 |