Disentangling Marginal Capacity from Geometry in Optimal-Transport Label Transfer
Organizations: Johnson & Johnson Innovative Medicine · Independent Researcher
Abstract
Optimal transport (OT) is widely used to align distributions and transfer labels between unpaired source and target data, but source-target composition shifts can cause rare classes to be systematically under-predicted even with high transport confidence. We identify a source of this failure in the transport marginal: under the standard uniform weighting of source points, each class has transport capacity proportional to its source frequency, which can be insufficient to meet its target demand even when separated well in the embedding space. We show that displaced mass is preferentially absorbed by high-capacity classes rather than geometrically similar classes, producing confident errors that are difficult to detect from the transport plan. Downstream read-outs, entropic smoothing, and marginal relaxation provide limited recovery, whereas matching the transport marginal to the target composition substantially improves label transfer. On single-cell data, the oracle composition-matched marginal raises macro-F1 from 0.322 to 0.623, and the best deployable estimator closes 69% of the oracle gap. Correcting the marginal also separates a coverage-dependent component of error from residual error associated with class separability, showing that transport capacity and representation geometry are distinct sources of transfer error.
Figures & tables
| Source marginal | B_Plasma | T_NK | Myeloid | Malignant | Epithelial | Endothelial | Stromal |
|---|---|---|---|---|---|---|---|
| source frequencies | .65/.63 | .95/.19 | .30/.53 | .64/.55 | .36/.53 | .05/1.00 | .09/.89 |
| uniform per class | .73/.66 | .80/.51 | .43/.69 | .66/.63 | .72/ .26 | .64/ .29 | .60/.73 |
| composition-matched | .78/.68 | .75/.71 | .61/.62 | .61/.78 | .45/.48 | .46/.72 | .69/.72 |
| single-cell (Jint) | Office-Home | |
|---|---|---|
| partial (absorbed share, capacity distance) | ||
| partial (absorbed share, distance capacity) | ||
| (class, absorber) pairs / units |
| intervention | ||
|---|---|---|
| marginal shape (matched to target) | ||
| marginal shape (uniform) | ||
| (most relaxed) | ||
| (balanced Sinkhorn) | ||
| ( default) | ||
| permuted marginal (control) |
| single-cell (Jint) | Office-Home | |||||||
|---|---|---|---|---|---|---|---|---|
| estimate of | macro | F1 | micro | below | macro | F1 | micro | % |
| source frequencies | n/a | |||||||
| permuted (control) | n/a | n/a | n/a | n/a | n/a | |||
| uniform | ||||||||
| NN pre-pass | ||||||||
| JCPOT | ||||||||
Appendix figures & tables22 assets
Supplementary material from the paper’s appendix.
Appendix
| transport | NN vote | |
| classes resolvable | ||
| classes with a finite | ||
| median | ||
| median | ||
| median ceiling | ||
| fits declined at the bound |
| class | recall before | recall after | diagonal mass | |
|---|---|---|---|---|
| Endothelial (below capacity) | ||||
| Stromal | ||||
| Epithelial | ||||
| Malignant | ||||
| Myeloid | ||||
| B_Plasma |
| family | read-out | Jint | Janesick rep1 | Janesick rep2 |
|---|---|---|---|---|
| hard | argmax | |||
| tempered | softmax | |||
| tempered | softmax | |||
| soft | soft posterior | |||
| propagating | OTP, 1 step | |||
| propagating | OTP, 20 steps |
| dataset | coupling mass | expected recall | argmax recall | extracted |
|---|---|---|---|---|
| Jint | ||||
| Janesick rep1 | ||||
| Janesick rep2 |
| Janesick | Jint | Janesick | |||
|---|---|---|---|---|---|
| macro | macro | absorption | Endothelial / Stromal | identified | |
| (most relaxed) | / | ||||
| / | |||||
| (default) | / | ||||
| / | |||||
| (balanced) | / | ||||
| domain | marginal | span | ||||||
|---|---|---|---|---|---|---|---|---|
| Office-Home | default | |||||||
| deployable | ||||||||
| oracle | ||||||||
| single-cell | default | |||||||
| deployable | ||||||||
| oracle |
| degenerate | below-cap. recall | macro | sel. | conf. correct | conf. wrong | |
|---|---|---|---|---|---|---|
| yes | — | — | ||||
| yes | — | — | ||||
| no | ||||||
| no | — | — | ||||
| no | ||||||
| no |
| prior for | removable | removable sep | residual sep | residual |
|---|---|---|---|---|
| oracle (published) | ||||
| uniform | ||||
| NN pre-pass | ||||
| JCPOT | ||||
| BBSE | ||||
| RLLS |
| single-cell (Jint) | Office-Home | ||||||
|---|---|---|---|---|---|---|---|
| macro-F1 | below F1 | absorption | macro-F1 | below F1 | absorption | ||
| domain | estimate of | divergence | path equivalent | below-capacity F1 |
|---|---|---|---|---|
| Office-Home | JCPOT | |||
| NN pre-pass | ||||
| RLLS | ||||
| MLLS | ||||
| uniform | ||||
| single-cell | NN pre-pass |
| solver | macro | Endothelial | absorption | detector (side) | median sel. / pass |
|---|---|---|---|---|---|
| NN vote (reference) | plan confidence (out) | / | |||
| UOT centering | split conformal (out) | / | |||
| moscot | reject-sink OT (out) | / | |||
| UOT, no centering | transport entropy (out) | / | |||
| coverage rule (source) | / |
| foundation | PCA | cut | shape | ||||
|---|---|---|---|---|---|---|---|
| confident errors | |||||||
| absorber = nearest | |||||||
| absorber = largest | |||||||
| confidence ratio | |||||||
| macro recall | |||||||
| detector suite |
| read-out | macro | macro-F1 | micro | below capacity |
|---|---|---|---|---|
| transport, default | ||||
| NN vote, uncorrected | ||||
| linear probe, uncorrected | ||||
| NN, prior-corrected | ||||
| NN, composition-matched | ||||
| linear probe, corrected |
| read-out | macro | macro-F1 | micro | below capacity |
|---|---|---|---|---|
| transport, default | ||||
| NN vote, uncorrected | ||||
| linear probe, uncorrected | ||||
| NN, prior-corrected | ||||
| NN, composition-matched | ||||
| linear probe, class-balanced |
| replicate 1 | replicate 2 | |||
|---|---|---|---|---|
| estimate of | macro | micro | macro | micro |
| source frequencies | ||||
| uniform | ||||
| NN pre-pass | ||||
| JCPOT | ||||
| BBSE | ||||
Optimal Transport
Optimal transport compares and transforms probability distributions by finding low-cost ways to move mass between them.
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