Optimal Representations for Generalized Contrastive Learning with Imbalanced Datasets

Contrastive learning (CL) aims to preserve relational structure between samples by learning representations that reflect a similarity graph. Yet, the geometry of the resulting embeddings remains poorly understood. Here we show that weighted InfoNCE objectives can be interpreted as Distance Geometry Problems, where the weighting scheme specifies the target geometry to be realized by the representation. This viewpoint yields exact characterizations of the optimal embeddings for several supervised and weakly supervised objectives. In supervised classification, both SupCon and Soft SupCon (a dense relaxation of it where pairs from distinct classes have small non-zero similarity) collapse samples within each class to a single prototype. However, while balanced SupCon recovers the classical regular simplex geometry, class imbalance breaks this symmetry: SupCon induces non-uniform inter-class similarities depending on class sizes, whereas Soft SupCon preserves a regular simplex geometry regardless of class imbalance. In continuous-label settings, our framework reveals a different failure mode: y-Aware CL generally cannot attain its entropic optimum unless the labels lie on a hypersphere, exposing a mismatch between Euclidean label weights and spherical latent similarity. By contrast, geometrically consistent choices such as Euclidean-Euclidean weighting or X-CLR admit unique optimal embeddings. Our results show that the choice of weighting scheme determines whether contrastive learning is geometrically realizable, degenerate, or inconsistent, providing a principled framework for designing contrastive objectives.

In this work, we introduce CoCo, a loss function aimed at learning normalized and well-structured representations. The proposed loss encourages intra-class collapse and inter-class contrast while preserving sufficient flexibility for neural networks to approximate geometrically optimal embeddings with large angular separation between classes. We provide a theoretical analysis positioning CoCo with respect to related objectives such as dot regression and cross-entropy, showing that the new proposed loss benefits from closer initialization to the optimal configuration, more informative gradients, and stronger incentives for class-wise representation collapse. Extensive experiments on diverse tabular datasets from the OpenML-CC18 benchmark show that CoCo achieves competitive performance with state-of-the-art methods, including kernel SVM, Random Forest, dot regression, and cross-entropy-based neural networks. In addition, both theoretical arguments and empirical analyses demonstrate that the proposal promotes tighter class clustering and faster convergence. These results highlight CoCo loss as an effective objective for learning discriminative representations while maintaining competitive predictive performance.

Supervised classification has a theoretical optimum, Neural Collapse (NC), yet neither of its two dominant paradigms reaches it in practice. Cross entropy (CE) leaves radial degrees of freedom unconstrained and converges to a degenerate geometry, while supervised contrastive learning (SCL) drives features toward NC during pretraining but discards this structure in a post hoc linear probing phase. We show that both paradigms are different appearances of the same method that contrasts prototypes on the unit hypersphere, and that closing the gap requires fixing each at its point of failure. From the CE side, we propose NTCE and NONL, two normalized losses that import contrastive optimization's missing ingredients into classifier learning: a large effective negative set and decoupled alignment and uniformity terms. From the SCL side, we prove that SCL's objective already optimizes throughout training for a principled classifier whose weights are the class mean embeddings, making linear probing both redundant and harmful. Empirically, on four benchmarks including ImageNet-1K, NTCE and NONL surpass CE accuracy, closely approximate NC ($\geq 95\%$), and match CE's converged NC on 4/5 metrics in under $7.5\%$ of its iterations, while SCL with fixed prototypes matches linear probing without the hours-long classifier training phase. The learned geometry yields $+5.5\%$ mean relative improvement in transfer learning, up to $+8.7\%$ under severe class imbalance, and improved robustness to corruptions on ImageNet-C. Our work recasts supervised learning as prototype learning on the hypersphere, with NC reached by design.