Gromov-Wasserstein Distillation for Inductive Multi-View Embedding
Organizations: Instituto Federal do Ceará (IFCE) Canindé, Ceará, Brazil · Federal University of Ceará (UFC) Fortaleza, Ceará, Brazil · Sigma Nova Paris, France
Abstract
Gromov-Wasserstein multidimensional scaling (GW-MDS) learns low-dimensional representations from relational data but remains transductive, providing no explicit mapping for unseen samples. We introduce an inductive framework based on barycentric distillation. A GW-MDS teacher learns a latent support and an optimal transport plan from the training data, and barycentric projection converts the resulting coupling into sample-aligned targets. A neural student then learns an explicit out-of-sample mapping, avoiding additional relational-matrix construction and GW optimization at inference. We formulate the approach for single-view data and extend it to Mean-GWMDS and Multi-GWMDS teachers through consensus and selected-projection targets learned by a multi-view student with view-specific encoders. We also investigate a direct neural baseline trained solely with a GW objective. Experiments on synthetic and real-world data using Euclidean, geodesic, and cosine relations show that the distilled models preserve the teacher geometry on unseen samples and consistently outperform direct neural GW training in sample-indexed relational preservation. These results establish barycentric projection as an effective bridge between transductive GW embeddings and inductive neural mappings.
Figures & tables
| Geometry | Method | Pearson | Spearman | Trust. | Stress |
|---|---|---|---|---|---|
| Euclidean | Ind. GW-MDS | 0.8869 | 0.8911 | 0.9300 | 0.2003 |
| Direct neural GW | 0.7533 | 0.7462 | 0.8387 | 0.2791 | |
| PCA | 0.8959 | 0.9075 | 0.9149 | 0.1971 | |
| Geodesic | Ind. GW-MDS | 0.9980 | 0.9974 | 0.9981 | 0.0337 |
| Direct neural GW | 0.7142 | 0.7248 | 0.9233 | 0.3905 | |
| PCA | 0.7314 | 0.7601 | 0.9369 | 0.3575 |
| ERA5 | rMD17–Aspirin | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Geometry | Method | Trust. | Stress | Trust. | Stress | ||||
| Euclidean | Ind. Mean-GWMDS | ||||||||
| Ind. Multi-GWMDS | |||||||||
| Concatenated PCA | |||||||||
| Direct multi-view GW | |||||||||
| Geodesic | Ind. Mean-GWMDS | ||||||||
Appendix figures & tables13 assets
Supplementary material from the paper’s appendix.
Appendix
| Geometry | Representation | Split | Trust. | Stress | ||
|---|---|---|---|---|---|---|
| Euclidean | Mean-GWMDS teacher | Train | 0.7661 | 0.7640 | 0.9065 | 0.2914 |
| Ind. Mean-GWMDS | Train | 0.7661 | 0.7638 | 0.9050 | 0.2915 | |
| Ind. Mean-GWMDS | Test | 0.7853 | 0.7958 | 0.8975 | 0.2798 | |
| Multi-GWMDS teacher, selected | Train | 0.7009 | 0.6977 | 0.8617 | 0.3388 | |
| Ind. Multi-GWMDS | Train | 0.7070 | 0.7025 | 0.8653 | 0.3357 | |
| Ind. Multi-GWMDS | Test | 0.7470 | 0.7572 | 0.8643 | 0.3137 |
| Geometry | Method | Temperature | Dewpoint | Pressure | Precipitation |
|---|---|---|---|---|---|
| Euclidean | Ind. Mean-GWMDS | 0.8995/0.9057 | 0.9232/0.9186 | 0.8981/0.8811 | 0.4203/0.4777 |
| Ind. Multi-GWMDS | 0.9210/0.9291 | 0.8239/0.8187 | 0.8444/0.8400 | 0.3988/0.4411 | |
| Geodesic | Ind. Mean-GWMDS | 0.9194/0.9290 | 0.9045/0.9033 | 0.8767/0.8565 | 0.7021/0.6867 |
| Ind. Multi-GWMDS | 0.9393/0.9313 | 0.7821/0.7950 | 0.7772/0.7626 | 0.6436/0.6416 | |
| Cosine | Ind. Mean-GWMDS | 0.7575/0.7770 | 0.5337/0.5589 | 0.2667/0.6706 | 0.5995/0.6263 |
| Ind. Multi-GWMDS | 0.8967/0.8935 | 0.2920/0.3448 | 0.2612/0.6197 | 0.4821/0.4919 |
| Projection | Euclidean | Geodesic | Cosine |
|---|---|---|---|
| View 1: temperature | 0.7009 | 0.7357 | 0.4550 |
| View 2: dewpoint | 0.6948 | 0.6995 | 0.3762 |
| View 3: pressure | 0.6570 | 0.6780 | 0.4010 |
| View 4: precipitation | 0.5626 | 0.6453 | 0.2993 |
| GW objective | Test | |||
|---|---|---|---|---|
| Geometry | Teacher | Direct | Ind. Multi | Direct |
| Euclidean | 0.01552 | 0.01565 | 0.7470 | 0.4576 |
| Geodesic | 0.01176 | 0.01169 | 0.7855 | 0.3409 |
| Cosine | 0.10290 | 0.10328 | 0.4830 | 0.4416 |
| Stage | Euclidean | Geodesic | Cosine | Mean |
|---|---|---|---|---|
| Mean-GWMDS teacher | 76.45 | 80.58 | 82.00 | 79.68 |
| Multi-GWMDS teacher | 238.00 | 229.60 | 244.23 | 237.28 |
| Mean student | 1.97 | 2.18 | 1.34 | 1.83 |
| Selected-projection student | 1.39 | 1.23 | 1.41 | 1.34 |
| Direct multi-view GW | 193.72 | 192.84 | 240.32 | 208.96 |
| Geometry | Method | Interatomic-distance view | Force-Gram view |
|---|---|---|---|
| Euclidean | Inductive Mean-GWMDS | 0.7294 | 0.2178 |
| Inductive Multi-GWMDS | 0.7506 | 0.0624 | |
| Geodesic | Inductive Mean-GWMDS | 0.7860 | 0.1715 |
| Inductive Multi-GWMDS | 0.7928 | 0.0524 | |
| Cosine | Inductive Mean-GWMDS | 0.7740 | 0.2743 |
| Inductive Multi-GWMDS | 0.8204 | 0.0669 |
| Euclidean | Geodesic | Cosine | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Barycentric projection | Mean | Mean | Mean | ||||||
| Interatomic-distance view | 0.7966 | 0.1318 | 0.4642 | 0.8468 | 0.1057 | 0.4762 | 0.8610 | 0.1695 | 0.5153 |
| Force-Gram view | 0.0926 | 0.5902 | 0.3414 | 0.0682 | 0.5918 | 0.3300 | 0.1195 | 0.7203 | 0.4199 |
| Selected-minus-other difference | 0.7040 | 0.1228 | 0.7786 | 0.1462 | 0.7415 | 0.0954 | |||
| Euclidean | Geodesic | Cosine | |
|---|---|---|---|
| Multi-GWMDS teacher objective | 0.035079 | 0.025891 | 0.009187 |
| Direct GW objective | 0.036273 | 0.025977 | 0.009195 |
| Inductive Multi-GWMDS test Pearson | 0.4065 | 0.4226 | 0.4437 |
| Direct GW test Pearson | 0.3540 | 0.3471 | 0.2942 |
| Formulation | Optimization stage | Time (s) |
|---|---|---|
| Inductive Mean-GWMDS | Mean-GWMDS teacher | 323.59 |
| Inductive Mean-GWMDS | Consensus-target student | 1.63 |
| Inductive Multi-GWMDS | Multi-GWMDS teacher | 607.56 |
| Inductive Multi-GWMDS | Selected-projection student | 1.36 |
| Direct multi-view GW | Direct neural optimization | 546.63 |