A Last-Layer Ensemble (LLE), K linear units on one shared frozen feature map, is an efficient single-pass approach to the disagreement-based epistemic uncertainty for out-of-distribution (OOD) detection. Its weakness is that members share the backbone gradient and can converge toward the same function, collapsing the inter-member diversity the signal depends on. Whether last-layer diversity can be restored, and what mitigates the collapse, is an open question. The weight-orthonormality defining Orthonormal Certificates (OC), the weight-orthonormal special case of the LLE, is only an indirect correction; it decorrelates the weights of the members, not their predictions. Here, we instead target the collapse directly in function space, with a Covariance Last-Layer Ensemble (cov-LLE) that places a direct covariance penalty on member activations. Cov-LLE restores the function-space diversity that weight-orthonormality cannot, and at matched K recovers much of the diversity and calibration of a deep ensemble at 1× backbone cost (in-distribution prediction variance 0.05→9.3 vs. 22.1 (×10−3), and ECE 0.135→0.090 vs. 0.035, for a K×-cost deep ensemble), at no cost to accuracy. Viewing OC as a last-layer ensemble also organizes detectors into a two-axis taxonomy (by how their units are trained and how their outputs are scored) and exposes the OC score as a magnitude, motivating a scale-invariant, label-free direction score that repairs its near-OOD failure, adding +0.16 to +0.18 ROC AUC on every backbone.
Deep ensembles provide the most reliable uncertainty estimates in deep learning, but their cost grows linearly with the number of members. Implicit ensembles lower this cost by sharing a single backbone across members. Member diversity is a primary determinant of ensemble quality, yet no implicit ensemble can shape it during training; existing methods fix it at initialisation or build it into the architecture. We introduce σN-Ens, a normalisation-based implicit ensemble that treats each member as a task in a multi-task architecture and modulates the shared backbone through sigmoid-bounded scalers. We also introduce a softmax-temperature regulariser, which shapes the equilibrium level of sharing between members and traces the accuracy-calibration frontier. Because only normalisation layers are replicated, the mechanism can wrap convolutional and transformer backbones alike, also allowing pretrained models to be adapted through a short fine-tune. We frame the epistemic uncertainty such an ensemble expresses as modulation uncertainty, and explain why its calibration holds under input corruption, and why its out-of-distribution detection is weaker. Our method is evaluated across ResNets and transformers on CIFAR-10/100, ImageNet and SST-2. σN-Ens matches or outperforms deep ensembles at a fraction of their parameter cost, scales with ensemble size where partitioning methods collapse, and maintains calibration under distribution shift.
Models that are indistinguishable on in-distribution data can behave very differently under distribution shift. We introduce Perturb-and-Correct (P&C), a post-hoc method for constructing epistemically diverse predictors from a single pretrained network. P&C applies random hidden layer perturbations with a least-squares correction in the subsequent affine layer, producing predictors that agree on calibration data while remaining free to disagree away from it. We analyze this mechanism through the post-correction residual and its first-order sensitivity: the residual is controlled near the calibration distribution by a leverage term, while corrected sensitivity grows as inputs deviate from the calibration geometry. Empirically, P&C achieves a strong ID/OOD tradeoff across MuJoCo dynamics prediction and CIFAR-10 OOD detection, matching or outperforming standard post-hoc baselines while requiring only a single pretrained model. Our findings highlight the potential in further exploiting overparameterization as a strength of deep learning models.
We introduce MM++ (Multilayer Mahalanobis++), a strictly post-hoc, and scale-invariant framework for Out-of-Distribution (OOD) detection. To address the trade-off between scale invariance and hierarchical expressivity, MM++ constructs a principled joint feature space. It first identifies discriminative intermediate layers by measuring entropy density drops, which mark the boundaries of sharp semantic compression. By fusing these selected layers with the terminal representation, the framework captures latent cross-layer correlations while mitigating early-layer noise. Crucially, a Ledoit-Wolf regularized tied covariance matrix stabilizes this unified space, enabling reliable distance estimation. Requiring no auxiliary OOD data, classifier fine-tuning, or architectural modifications, MM++ delivers robust performance across distinct architectures for both near- and far-OOD detection.
Rahim Hossain, Md Tawheedul Islam Bhuian, Md Farhan Shadiq +1