Diffusion-Based OOD Detection

One-class artifact detectors for whole-slide images learn normal tissue from a clean training pool and flag departures from it. The pool is built by a preprocessing pipeline whose tissue-detection step is usually treated as neutral. We tested whether it is. On 16 annotated slides from The Cancer Genome Atlas, we rebuilt the clean pool of a diffusion-based detector with different tissue detection methods and compared the resulting models in a four-fold cross-validation. Per-slide saturation-Otsu detection excluded normal tissue, chiefly tissue with large clear spaces such as adipose tissue and alveolar parenchyma, and on slides with thick marker ink kept the ink while excluding ordinary tissue. Replacing it with entropy-based detection reduced the false-positive fraction on held-out clean slides from 0.102 to 0.016, in every fold and with a second training seed, without loss of sensitivity; the gain came from the composition of the pool, not its size. Across three tissue detection methods, false positives followed the fraction of such clear-space tissue in the pool, a statistic that needs no labels or training (0.103, 0.016 and 0.009). The effect did not carry over at the same size to a nearest-neighbour detector on foundation-model features. On an external cohort, the curated pool lowered clean-control false positives by about 20%, far less than on the development slides, and the remaining cross-center loss was not explained by stain differences. For one-class quality control, tissue detection decides what the model learns as normal and should be chosen and reported accordingly.

Test-time adaptive out-of-distribution (OOD) detectors update a memory bank from the unlabelled stream. We show this adaptation obeys a provable dynamical law. Modelling bank impurity as a generalized Pólya urn, we prove almost-sure convergence to a mean-field equilibrium whose slope acts as a reproduction number. Below one, impurity stays benign. Above one, the bank is fully poisoned and the detector collapses. The measured admission kernel is affine ($R^2 \ge 0.996$) with slope just below one in every encoder family (a protocol signature), so this detector class is near-critical by design, and across 96 settings the predicted threshold matches the empirical collapse, where ungated dictionaries lose up to $0.163$ AUROC. We then prove that a certified admission gate, reading only a frozen reserve, severs the feedback loop and removes the transition at every contamination rate, even adversarially, while controlling false positives label-free. For the complementary static-calibration failure under drift we give CDC, which restores nominal FPR label-free on all tested drift-affected cells. Finally we prove a two-world impossibility theorem. Drift and contamination are indistinguishable without labels, forcing a closed-form power ceiling our procedure approaches. Together these give a complete possibility/impossibility characterization of label-free adaptive OOD detection.

Reconstruction-based generative models offer a natural framework for unsupervised out-of-distribution (OOD) detection, but multi-class normality modelling requires a single detector to capture multiple in-distribution manifolds and produce comparable anomaly scores across classes. We study this problem in copy detection pattern (CDP) authentication, where authentic and counterfeit samples are visually similar but differ in subtle printing-and-digitisation (P&D) signatures. We propose a diffusion based multi-class normality framework in which a single class-conditional ControlNet is trained exclusively on authentic CDPs from multiple P&D classes and detects counterfeits through reconstruction error under authentic-class conditioning. We further introduce dual template masking, which hides complementary regions of the input template and scores only withheld pixels, reducing reliance on visible binary structure. On the Indigo 1 x 1 Base dataset, the proposed method outperforms traditional and adapted generative baselines under multi-class authentic-versus-counterfeit evaluation, without using counterfeit samples for training or threshold calibration.

Foundation models provide highly descriptive representations for medical images, yet their reliability degrades under distribution shifts arising from changes in patients, devices, or acquisition conditions. Reliable out-of-distribution (OOD) detection is therefore essential for safe deployment. Recent post-hoc detectors efficiently exploit frozen embeddings (e.g., kNN), whereas reconstruction-based OOD detection in latent feature space has seen limited adoption due to inconsistent performance. In this work, we show that the limitation of reconstruction-based methods in latent space does not stem from poor reconstruction quality, but from how reconstruction errors are scored. Standard L2 residual norms collapse the anisotropic residual structure, thereby suppressing informative deviations. To address this limitation, we introduce MaRS (Mahalanobis Residual Scoring), a label-free OOD detector that learns an in-distribution manifold using a lightweight autoencoder and measures deviation via a Mahalanobis distance on reconstruction residuals, yielding variance-aware OOD scores. Across three imaging modalities, multiple types of distribution shift, and different model families and scales, MaRS outperforms established confidence-, distance-, and reconstruction-based baselines, while remaining fully post-hoc and lightweight. The code is available at https://github.com/francescodisalvo05/mars.

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.

Diffusion models have shown promising performance as data-driven priors for computational imaging, as well as some capacity to detect out-of-distribution (OOD) images. However, existing approaches to OOD detection often require some knowledge of the shifted distribution, fail to detect subtle or localized distribution shifts, and operate on full images, rather than the indirect measurements available in inverse problems. We propose an OOD detection metric based on the Kullback-Leibler divergence between the diffusion prior and the posterior distribution, that (i) does not require any calibration data or knowledge of the shifted distribution, and (ii) can detect whole images as OOD as well as localize OOD patches within an image. Experimentally, we show that this metric can detect subtle yet semantically meaningful distribution shifts, such as the shift from healthy liver CT scans to those with tumors, and generalizes across different types of diffusion models, datasets, and inverse problems. Our code can be found at https://github.com/voilalab/KLIP.

We address out-of-distribution (OOD) detection across the full spectrum of distribution shifts -- global domain changes, semantic divergence, texture differences, and covariate corruptions -- through a multi-encoder fusion of per-encoder representation-space diffusion models (RDMs). We statistically identify each encoder's sensitivity to specific shift types from ID data alone and introduce EncMin2L -- an encoder-agnostic two-level $\min(\cdot)$-gate that combines and calibrates per-encoder diffusion-based likelihood detectors without OOD labels, outperforming monolithic multi-encoder baselines at $2.3\times$ lower parameter cost. Two ID-data diagnostics: $η^2$ (class-conditional F-test) and $Δμ$ (log-likelihood shift under synthetic corruptions) -- quantify encoder specialization, while a Tippett minimum $p$-value combination aggregates per-encoder scores into a single, calibration-stable OOD signal. EncMin2L achieves $\geq 0.94$ AUROC across all four shift types simultaneously, outperforming the state-of-the-art representation-space diffusion OOD detectors across overlapping benchmarks.

Long-tailed out-of-distribution (LT-OOD) detection is often addressed with specialized training, including auxiliary out-of-distribution (OOD) data, abstention heads, contrastive objectives, energy losses, or gradient-conflict control. We show that these training mechanisms can obscure a simpler issue: frozen long-tailed representations may already contain useful OOD evidence, but raw Mahalanobis distance is distorted by frequency-coupled feature radius and poorly supported tail covariance. We propose Hyperspherical Pooled Mahalanobis (HPM), a post-hoc detector that normalizes features onto the unit sphere and replaces class-specific covariance with a pooled, ridge-regularized metric while keeping class means as semantic anchors. In CIFAR-LT experiments and an ImageNet-100-LT near-OOD boundary analysis, HPM improves raw Mahalanobis scoring; for Prior-Calibrated ERM (PC-ERM), it raises AUROC from 46.49 to 85.67 on CIFAR-10-LT and from 50.40 to 78.35 on CIFAR-100-LT. This simple PC-ERM+HPM pipeline also achieves the best Log Efficiency Score (LES; 3.08) on CIFAR-100-LT, retaining roughly 95% of the best CIFAR-100-LT AUROC observed among the compared post-hoc scores at substantially lower training-time cost. These results argue for evaluating representation quality, detector geometry, and training complexity as separate factors in LT-OOD detection.

Out-of-distribution (OOD) detection is a critical component for ensuring the reliability of deep neural networks in safety-critical applications. In this work, we present a key empirical observation: for in-distribution (ID) samples, class-wise Mahalanobis distances exhibit a pronounced sharp minimum structure, where the distance to the nearest class is small while distances to all other classes remain large, resulting in high variance across classes. In contrast, OOD samples tend to exhibit a less pronounced sharp minimum structure, producing comparatively lower variance across classes. We further provide a theoretical analysis grounding this observation in Neural Collapse geometry: under relaxed Neural Collapse assumptions on within-class compactness and inter-class separation, ID samples are shown to structurally exhibit high class-wise distance variance, offering a theoretical basis for its use as an OOD score. Motivated by this observation and its theoretical backing, we propose MahaVar, a simple and effective post-hoc OOD detector that augments the Mahalanobis distance with a class-wise distance variance term. Following the OpenOOD v1.5 benchmark protocol, MahaVar achieves state-of-the-art performance on CIFAR-100 and ImageNet, with consistent improvements in both AUROC and FPR@95 over existing Mahalanobis-based methods across all benchmarks.

Fair comparison between diffusion-based OOD detectors is challenging, as conclusions can vary with backbone choice, corruption parameterization, and test-time budget. We address this issue through a Mutualized Backbone-Equated (MBE) protocol that aligns canonical corruption levels and logical test-time cost across diffusion backbones. Within this setting, we introduce Canonical Feature Snapshots (CFS), a family of detectors that probes a frozen diffusion backbone using only a tiny number of native internal activations at canonical low-noise levels. On a controlled CIFAR-scale benchmark, the strongest one-forward CFS variant is CFS(1x2), while an even smaller decoder-only variant remains highly competitive. This shows that much of the relative-OOD signal exposed by frozen diffusion backbones is concentrated in a small number of sparse internal states, rather than requiring full denoising trajectories or high-capacity downstream heads. We further provide a local diagnostic theory explaining these observations through conditional encoder-decoder complementarity, diagonal-score separation, and low-noise corruption stability. The official implementation is available at https://github.com/RouzAY/cfs-diffusion-ood/.

Offline reinforcement learning (RL) faces a critical challenge of overestimating the value of out-of-distribution (OOD) actions. Existing methods mitigate this issue by penalizing unseen samples, yet they fail to accurately identify OOD actions and may suppress beneficial exploration beyond the behavioral support. Although several methods have been proposed to differentiate OOD samples with distinct properties, they typically rely on restrictive assumptions about the data distribution and remain limited in discrimination ability. To address this problem, we propose DOSER (Diffusion-based OOD Detection and Selective Regularization), a novel framework that goes beyond uniform penalization. DOSER trains two diffusion models to capture the behavior policy and state distribution, using single-step denoising reconstruction error as a reliable OOD indicator. During policy optimization, it further distinguishes between beneficial and detrimental OOD actions by evaluating predicted transitions, selectively suppressing risky actions while encouraging exploration of high-potential ones. Theoretically, we prove that DOSER is a $γ$-contraction and therefore admits a unique fixed point with bounded value estimates. We further provide an asymptotic performance guarantee relative to the optimal policy under model approximation and OOD detection errors. Across extensive offline RL benchmarks, DOSER consistently attains superior performance to prior methods, especially on suboptimal datasets.

Out-of-distribution (OOD) detection identifies test samples that fall outside a model's training distribution, a capability critical for safe deployment in high-stakes applications. Standard OOD detectors are trained on a specific in-distribution (ID) dataset and detect deviations from that single domain. In contrast, we study few-shot cross-domain OOD detection: given a \emph{single} pre-trained model, can we perform OOD detection on \emph{arbitrary} new ID-OOD task pairs using only a handful of ID samples at inference time, with no additional training? We propose \textbf{UFCOD}, a unified framework that achieves this goal through information-geometric analysis of diffusion trajectories. Our key insight is that diffusion noise predictions are score functions (gradients of log-density), and we extract two energy features: \emph{Path Energy} (integrated score magnitude) and \emph{Dynamics Energy} (score smoothness), that form a discrete Sobolev norm capturing how samples interact with the learned diffusion process. The central contribution is a \textbf{train-once, deploy-anywhere} paradigm: a diffusion model trained on a single dataset (e.g., CelebA) serves as a universal feature extractor for OOD detection across semantically unrelated domains (e.g., CIFAR-10, SVHN, Textures). At deployment, each new task requires only $\sim$100 unlabeled ID samples for inference: no retraining, no fine-tuning, no task-specific adaptation. Using 100 ID samples per task, UFCOD achieves 93.7% average AUROC across 12 cross-domain benchmarks, competitive with methods trained on 50k--163k samples, demonstrating $\sim$500$\times$ improvement in sample efficiency. See our code in https://github.com/lili0415/UFCOD.

Predictive machine learning models generally excel on in-distribution data, but their performance degrades on out-of-distribution (OOD) inputs. Reliable deployment therefore requires robust OOD detection, yet this is particularly challenging for irregular 3D graphs that combine continuous geometry with categorical identities and are unordered by construction. Here, we present a probabilistic OOD detection framework for complex 3D graph data built on a diffusion model that learns a density of the training distribution in a fully unsupervised manner. A key ingredient we introduce is a unified continuous diffusion over both 3D coordinates and discrete features: categorical identities are embedded in a continuous space and trained with cross-entropy, while the corresponding diffusion score is obtained analytically via posterior-mean interpolation from predicted class probabilities. This yields a single self-consistent probability-flow ODE (PF-ODE) that produces per-sample log-likelihoods, providing a principled typicality score for distribution shift. We validate the approach on protein-ligand complexes and construct strict OOD datasets by withholding entire protein families from training. PF-ODE likelihoods identify held-out families as OOD and correlate strongly with prediction errors of an independent binding-affinity model (GEMS), enabling a priori reliability estimates on new complexes. Beyond scalar likelihoods, we show that multi-scale PF-ODE trajectory statistics - including path tortuosity, flow stiffness, and vector-field instability - provide complementary OOD information. Modeling the joint distribution of these trajectory features yields a practical, high-sensitivity detector that improves separation over likelihood-only baselines, offering a label-free OOD quantification workflow for geometric deep learning.

Out-of-Distribution (OoD) detection aims to justify whether a given sample is from the training distribution of the classifier-under-protection, i.e., In-Distribution (InD), or from an unknown out distribution. Recent researches have leveraged Diffusion Models (DMs) for OoD detection due to their powerful distribution modeling capability. Given an input image, an InD-pretrained DM produces a corresponding InD-aligned counterpart, which serves as a generative reference for comparison. However, existing DM-based methods typically assess this underlying discrepancy through visual-level distances in the raw image space, which may be misaligned with the distributional discrepancy relevant to OoD detection. In this work, we investigate the fundamentals of discrepancy assessment in DM-based OoD detection, asking how the discrepancy between an input and its DM-generated counterpart should be formulated, and in which representation spaces and with which metrics it should be measured. To this end, we propose to assess the discrepancy in a classifier-relative manner by exploiting the representation spaces of the classifier-under-protection, whose training on InD data encodes rich task-relevant InD knowledge. In particular, we quantify two types of discrepancy: feature-level covariate discrepancy in deep feature representations and logit-level concept discrepancy in output logits, enabling effective differentiation between InD and OoD samples. Moreover, a subspace-based strategy is devised to refine representations of the DM generation to promote discrepancy assessment. Together, these designs form our novel detection framework, namely DDR. Extensive experiments on the challenging large-scale ImageNet-1K dataset demonstrate the superior detection performance of DDR over both DM-based and non-DM-based methods.