Out-Of-Distribution

Missing values undermine statistical inference and machine learning pipelines, yet most imputation methods rely on heuristics or restrictive parametric assumptions that ignore the joint data distribution. We recast imputation under missing completely at random (MCAR) as density estimation from masked observations: estimate a distribution whose observed marginals exactly match those in the data. Leveraging positive semi definite (PSD) kernel densities we obtain a convex empirical risk problem with closed form marginals, solvable by a Newton interior point method. The resulting PSD Impute model yields both single and multiple imputations from the same fitted density, enjoys statistical consistency with fast adaptive excess risk beating the curse of dimensionality for very regular probabilities. Preliminary experiments on one synthetic and eleven real world datasets already indicate competitive distributional accuracy compared with popular imputation baselines, suggesting strong practical promise.

On-policy distillation is a practical post-training recipe for large language models, supplying dense teacher supervision on the student's own trajectories. In privileged-context self-distillation, teacher and student are the same model conditioned on the same prefix, but the teacher also sees a hint or the full solution trace. This makes supervision abundant but harder to trust: the teacher can be confident about continuations its privileged view makes obvious but the student cannot yet justify. The distillation pull is strongest where teacher and student disagree most, and over many updates it accumulates into drift that degrades out-of-distribution (OOD) reasoning. We introduce GeoSD, a geometric self-distillation objective that treats this drift as movement in the student's predictive behavior and counters it in two complementary ways. A Hellinger loss scales each teacher preference by the overlap the student already shares with it, attenuating the pull on tokens the student cannot yet support. Since these pulls still compound over training, a proximal term penalizes how far the student's predictions drift from a recent checkpoint, measured as a Fisher-Rao distance. Both are distances in the same geometry of next-token distributions, and a natural-gradient update takes its steps in that geometry rather than in parameter space. Across mathematical reasoning benchmarks and three model families, GeoSD preserves the in-distribution gains of self-distillation while improving average OOD accuracy by 5.7-8.6 points over the base model, with gains holding across model scales from 1.7B to 32B. Analyzing why standard matching fails out of distribution, we find it wins agreement with the teacher by draining mass from alternatives at high-entropy states, resulting in confident agreement on wrong answers, whereas GeoSD keeps those alternatives in reach.

Recent AI-generated text detection work often introduces a new benchmark together with a specialized detector tailored to it. We revisit this practice from a baseline-first perspective. Across several benchmarks, we show that a plain, fully fine-tuned RoBERTa matches or exceeds the specialized detectors those benchmarks are built around. This suggests that much of the recent architectural complexity is not what drives strong in-distribution detection. The remaining challenge is the distribution shift. The same strong baseline degrades sharply when the topic domain or generating model changes at test time, and simply adding more source data does not close the gap. We identify a key failure mode: under distribution shift, the detector can assign high-confidence machine labels to human-written text from unseen domains. We then study two lightweight domain adaptation methods to address this problem: $K$-shot adaptation with first-order MAML over LoRA adapters, and a per-sample confidence-weighted ensemble built on top of the adapted detector. Overall, our results suggest that progress in AI-generated text detection should be measured not only by in-distribution performance, but also by robustness under distribution shift.

Neural networks are increasingly used to infer hidden physical structure from dynamical observations, yet it remains unclear whether their out-of-distribution performance reflects transferable physical rule learning. We address this question in a controlled inverse problem: reconstructing interaction graphs of a kinetic Ising model from Glauber magnetization trajectories. Across convolutional, graph, Transformer, and hybrid architectures, we find that data-driven training produces distinct and reproducible statistical strategies under topology and temperature shifts. Edge-population diagnostics reveal that Transformer-based models tend to preserve the link density of the training ensemble, whereas convolutional models can collapse toward sparse- or no-link predictions that appear out-of-distribution stable by exploiting the majority no-link class. Thus, high in-distribution accuracy and apparent out-of-distribution robustness do not necessarily imply a learned dynamics-to-structure rule. Instead, neural reconstruction can be governed by architecture-dependent statistical priors. Our results identify a concrete failure mode of standard data-driven learning in physical inverse problems and motivate rule-guided principles for machine-learning-assisted scientific discovery.

Integrating information across related tasks can improve estimation and prediction in transfer, multi-task, and federated learning, but contamination and heterogeneity make robust borrowing challenging. We study a contaminated multi-task empirical risk minimization (ERM) framework in which an $ε$ fraction of $K$ tasks, each with sample size $n$, may be arbitrarily contaminated while the remaining tasks are heterogeneous. Our goal is to estimate both the global minimizer of the average risk and the clean task-specific minimizers, thereby combining robustness and personalization. In the Gaussian mean model, we show that several common paradigms, including adaptive and robust regularization around a shared center, global matrix regularization, decomposition-based regularization, and score-based outlier-task detection, all suffer from a worst-case contamination error of order $ε\sqrt{d/n}$, which is suboptimal compared to the lower bound $ε/\sqrt{n}$. This identifies a dimension-dependent barrier for these approaches. We then establish minimax lower bounds for a general heterogeneous ERM setting and propose a computationally efficient filtering-based robust multi-task gradient descent method. Under local strong convexity, smoothness, and sub-Gaussian gradient assumptions, the proposed method attains high-probability upper bounds matching the minimax rates up to logarithmic factors over a broad regime. In particular, it removes the extra $\sqrt{d}$ contamination dependence of many regularization-based methods and score-based outlier detection, while achieving personalization to local tasks under strong heterogeneity. Simulations and a real-data analysis demonstrate strong robustness and personalization relative to a broad range of benchmark methods.

For clinical deployment, it is essential that automated diagnostic systems remain reliable when confronted with previously unseen cases, yet deep models routinely misclassify out-of-distribution (OOD) inputs with high confidence, underscoring the need for more robust OOD detection methods. Although substantial effort has been devoted to improving model robustness, most of the existing literature assumes balanced datasets, evaluates OOD detection on coarse or non-clinical OOD sources, or lacks comprehensive assessment across diverse OOD scenarios. To address the gaps, we propose a novel methodology trained on diverse and imbalanced medical datasets and evaluated across a clinically reflective OOD spectrum. Our framework comprises three key components: (1) a Nonlinear von Mises-Fisher (NvMF) classifier capable of learning non-linear decision boundaries, with theoretical proof of its asymptotic connection to cosine classifiers; (2) a multi-expert framework in which margin-aware NvMF classifiers specialise in different regions of label distribution to better handle imbalance; and (3) an outlier expert trained explicitly to distinguish inlier from outlier data, thereby strengthening OOD detection. Evaluation on RFMiD, ISIC2019, and NCTCRC datasets demonstrates consistent improvements over state-of-the-art methods, achieving mean FPR95 reductions of 8.45%, 13.02%, and 36.90% respectively. These gains are further supported by comprehensive ablations that validated the contributions of each component. This enables reliable identification of unfamiliar cases for deferral to clinicians, supporting safer AI-assisted diagnosis in real-world workflows. Our code is available at https://github.com/redboxup/MARVEL.

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.

Chain-of-thought (CoT) prompting improves LLM reasoning, but the source is contested: do the intermediate steps help because they carry useful semantic content, or because conditioning on more tokens buys extra computation before the model commits to an answer? We bring two lines of evidence to bear. First, in distribution: we repeatedly sample each model on the same question and pair a shorter with a longer of its own natural generations that follow the same reasoning plan, so nothing is rewritten and both traces are genuinely in-distribution. Across 25 models the extra tokens leave accuracy essentially unchanged for every independently-trained reasoner, and a blind analysis of the surplus tokens shows that what gain exists elsewhere tracks validation- and checking-content, not verbosity per se. Second, as a controlled intervention, we ask whether two traces expressing the same semantic content (the same facts, operations, and intermediate values, verified through directed acyclic graph equivalence) produce different outcomes when one is more verbose, using a dual-validator design across four targets and eight benchmarks with number-redacted completion and stratified bootstrap confidence intervals. Verbose traces do improve accuracy (25 of 32 benchmark-target cells are positive under at least one validator), but the effects are modest (typically 1-4 points) and depend on the quality of the verbose prose, not merely its length. Under maximum numerical redaction the effect is amplified (median 3.24x across four arithmetic benchmarks), and length-matched non-reasoning filler recovers none of it. Both lines converge: what matters is what the extra tokens do (the reasoning and validation content they carry), not how many there are, a picture neither a pure forward-pass-compute nor a pure semantic-content account fully explains.

Looped Transformers, which repeatedly apply a shared transformer block, are an architecturally natural fit for variable-length algorithmic tasks. Although they can exhibit strong length generalization beyond the length of training sequences, this behavior is brittle, yielding high out-of-distribution (OOD) variance, even across well-performing in-distribution solutions. We trace this variance to the spurious correlation in simple algorithmic tasks between sequence length and number of loops. Introducing stochasticity into the number of loops during training sharply reduces OOD variance and stabilizes predictions across inference-time loop counts. To improve upon heuristic randomization schemes, we further analyze RL-Halting as a learned stochastic schedule and find that it generally improves the accuracy-stability trade-off. Across binary addition, Dyck-1, Unique Set, and Copy, learned stochastic stopping often improves this trade-off but can also stabilize a suboptimal computation. Our work suggests that "when to stop" should be treated as a training-time design choice, not merely an inference-time computation-allocation rule.

Detecting out-of-distribution (OOD) data is crucial for reliable machine learning deployment. Among detection strategies, post-hoc methods are particularly attractive due to their efficiency, as they operate directly on pre-trained networks without requiring retraining. Within this paradigm, one promising direction exploits loss-landscape curvature to estimate model uncertainty; however, such methods incur substantial computational cost and rely on implicit assumptions about how landscape flatness differs between in-distribution (ID) and OOD data. In this work, we provide the first systematic investigation of this curvature discrepancy and show that OOD inputs exhibit larger Hessian curvature than ID data, with the gap widening under stronger distributional shifts. Motivated by these observations, we propose Fold, a lightweight flatness-modulated OOD detector that leverages the feature Hessian and partial feature normalization to improve ID-OOD separability while avoiding costly parameter-space curvature approximations. To optimally adapt this normalization across diverse datasets, we further introduce AutoFold, a self-supervised tuning scheme that synthesizes pseudo-OOD samples via ID logit masking for automatic calibration without requiring external data. Experiments on OOD benchmarks show that Fold outperforms prior methods, improving the average AUROC by 1.63% and reducing FPR95 by 2.30%, while maintaining computational efficiency comparable to a standard forward pass. Supported by theoretical analysis and extensive ablations, Fold provides a principled and practical solution for robust real-world deployment.

Outlier detection (OD) aims to identify anomalous instances by learning the underlying structure of normal data (inliers), and is particularly challenging in fully unsupervised settings where no information about anomalies is available during training. Recent advances have leveraged the inlier-memorization (IM) effect, a phenomenon in which deep models memorize inlier patterns earlier than those of outliers, as a powerful signal for distinguishing outliers. However, despite its empirical success, the theoretical understanding of the IM effect remains limited. In this work, we present a theoretical study of the IM effect. Focusing on a simple autoencoder, we show that, under mild assumptions, the model can successfully memorize inliers while failing to memorize outliers during certain stages of early training. In particular, we characterize not only the emergence of the IM effect, but also its strength and persistence, and analyze how these properties depend on the data distribution and parameter initialization. In addition, building on these insights, we derive simple yet practical guidelines for enhancing the IM effect, including data preprocessing and parameter initialization schemes, achieving state-of-the-art performance on the ADBench datasets. Our findings provide a theoretical foundation for the IM effect and offer actionable directions for improving IM-based outlier detection methods.

Structured reasoning requires making and revising interdependent decisions to reach a globally consistent solution. Existing architectures struggle with this: autoregressive models commit sequentially and cannot revise earlier decisions, while masked diffusion models often require careful decoding schemes to coordinate interdependent predictions. We introduce Flow Reasoning Models (FRMs), a novel framework for structured reasoning that adapts continuous flows over discrete structured outputs with a simple recurrent refinement mechanism. By self-conditioning a flow model on its own past outputs, we turn one-shot denoising into iterative solution refinement. This lets FRMs make and revise decisions in parallel, efficiently coordinating interdependent choices across solutions. Yet conventional self-conditioning becomes unreliable at greater recurrent depth due to exposure bias between one-step training predictions and recursively generated inference states. We address this mismatch with Fixed-Point Forcing (FPF), which trains FRMs on states produced by their own inference dynamics while preserving the standard flow-matching objective. FRMs achieve solve rates of $99.5\%$, $100.0\%$, and $99.9\%$ on Sudoku-Extreme, Zebra, and Maze-Unique, respectively. On Sudoku-Extreme, FRMs achieve higher peak accuracy than the evaluated masked-diffusion and specialized reasoning baselines while remaining highly compute-efficient, matching the next-best method's $98.7\%$ peak solve rate with $44\times$ fewer inference FLOPs.

Pre-trained transformers have demonstrated remarkable generalization abilities, at times extending beyond the scope of their training data. Yet, real-world deployments often face unexpected or adversarial data that diverges from training data distributions. Without explicit mechanisms for handling such shifts, model reliability and safety degrade, urging more disciplined study of out-of-distribution (OOD) settings for transformers. By systematic experiments, we present a mechanistic framework for delineating the precise contours of transformer model robustness. We find that OOD inputs, including subtle typos and jailbreak prompts, drive language models to operate on an increased number of fallacious concepts in their internals. We leverage this device to quantify and understand the degree of distributional shift in prompts, enabling a mechanistically grounded fine-tuning strategy to robustify LLMs. Expanding the very notion of OOD from input data to a model's private computational processes, a new transformer diagnostic at inference time is a critical step toward making AI systems safe for deployment across science, business, and government.

While test-time adaptation (TTA) empowers vision-language models to adapt without costly retraining, it remains highly vulnerable to out-of-distribution (OOD) outliers prevalent in real-world applications. This discrepancy motivates Noisy TTA (NTTA), an online task to filter noisy OOD samples on the fly while maximizing in-distribution (ID) classification accuracy. Existing zero-shot NTTA approaches typically rely on test-time discriminative training, leading to overconfident misclassifications and significantly degraded inference efficiency. To address these limitations, we propose a novel framework named Dual Distribution Estimation (DDE), shifting the zero-shot NTTA paradigm from instance-level learning to training-free Gaussian distribution modeling. DDE incorporates two novel modules: Positive Feature Distribution Estimation (PFDE) and Negative Label Distribution Estimation (NLDE). PFDE explicitly models class-wise inclusion and exclusion Gaussian distributions to formulate a calibrated contrastive score, robustly enhancing ID accuracy. In parallel, NLDE improves OOD identification by explicitly modeling the negative label distribution to mine highly discriminative labels, effectively mitigating spurious correlations. Extensive experiments show that on the large-scale ImageNet benchmark, DDE achieves an improvement of 3.70% in harmonic mean accuracy and reduces the FPR95 for OOD detection by 6.20%, while ensuring highly scalable and efficient online inference. Furthermore, DDE is zero-shot and training-free, demonstrating remarkable robustness in data-scarce scenarios. Codes are available at https://github.com/ZhuWenjie98/DDE.

The incorporation of additional modalities into action recognition models increases their performance across a wide range of settings. However, how this additional information can contribute to making the models more robust remains underexplored, particularly for the case of multi-modal out-of-distribution (OOD) detection. While methods exist that regularize the multi-modal training process with OOD detection in mind, they still apply off-the-shelf OOD detectors designed for the uni-modal case during inference, discarding important information. Based on an interesting relationship we find between the multi-modal and uni-modal predictions, we propose to use this signal to build a post-hoc detector explicitly designed for the multi-modal scenario. We combine this new source of information with a feature-space score, which detects off-manifold samples in the multi-modal space, and normalize them by the multi-modal logits. In doing so, the proposed hybrid detector is compatible with existing training-time approaches and consistently improves performance. Experiments on a wide range of established datasets from the MultiOOD benchmark show that, on average, our approach outperforms the state of the art. Our results show the importance of explicitly considering the different modalities at inference time for multi-modal OOD detection.

Pretrained vision models often misclassify inputs that are rotated, scaled, or sheared, even though these affine transformations leave the object class unchanged. Robustness is usually restored either by building equivariance into the architecture or by retraining with augmentation, both of which require changing or retraining the model. Test-time canonicalization instead leaves the classifier untouched. It undoes the transformation of each input, mapping it to a canonical form near the training distribution before classification. Existing canonicalizers, however, rely on a narrow set of logit-based energy scores and bespoke search procedures, leaving the design space of scoring functions and optimizers unexplored. We reframe canonicalization as out-of-distribution (OOD) detection, which lets any OOD score serve as the energy minimized over transformations. Across benchmarks ranging from handwritten characters and sketches to natural images and 3D point clouds, we systematically evaluate around twenty OOD scores and nine search algorithms, finding that distance-based scores paired with random search and local refinement perform best overall. Because canonicalizing an already-aligned input can hurt accuracy, we add a gated mechanism that transforms an input only when its OOD score indicates this is needed, preserving most in-distribution accuracy while retaining the robustness gains on transformed inputs. Code is available at github.com/johschm/its.

Standard NLP pipelines for occupational clustering discard the 10-15% of job postings that density-based methods assign to noise. We argue this is an error: in rapidly evolving domains, low posting density signals novelty, not incoherence. We formalize this as the Emergence-Density Inversion (EDI) hypothesis and test it longitudinally on 84,988 job postings across eight quarters (Q4 2022-Q3 2024). EDI is partially confirmed: high-EOS outlier groups transition to stable clusters in 1.4 +/- 0.6 quarters vs. 4.1 +/- 1.2 for low-EOS groups (p < 0.001), though the signal fails in approximately 19% of cases, which we characterize as a failure analysis. We extend the Emerging Occupation Score (EOS) with Temporal Velocity and Cross-Platform Convergence, improving 2-quarter cluster-formation prediction from F1 = 0.61 to 0.74, outperforming Isolation Forest, LOF, GLOSH, and BERTrend baselines. A retrospective study on three now-established roles (MLOps Engineer, DevOps/SRE, Data Engineer) confirms EOS signalled 2-3 quarters before cluster formation, providing held-out validation. A held-out annotator panel (kappa = 0.74) rates EOS > 0.75 as coherent emerging occupations with 77% precision. Prompt Engineer, AI Safety Researcher, Foundation Model Engineer, and Agent Systems Engineer, all absent from O*NET, are top-4 in Q3 2024 and form stable clusters by Q1 2025.

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.

Out-of-Distribution (OOD) detection is essential for ensuring the robustness and reliability of object detection systems deployed in safety-critical applications. While prior research has mainly focused on uni-modal detectors or vision-language model (VLM) based classifiers, the potential of VLM-based object detectors in OOD scenarios remains underexplored. In this work, we take the first step toward building OOD object detection methods upon VLMs. We identify two challenges specific to VLM detectors: (i) their text-guided attention enhances foreground with ID labels but treats background uniformly, leaving potential OOD regions unexploited for separating in-distribution (ID) from OOD instances; and (ii) their sigmoid-based multi-label outputs are incompatible with softmax-based OOD scores, calling for scoring functions consistent with VLM probabilistic outputs. Hence, we introduce Negative Label Guided Attention and Scoring (NegAS). To address (i), we propose a negative label guided attention module (NegA), where LLM-generated, visually-similar but semantically-different negative labels are used to guide attention toward potential OOD background regions. To address (ii), we introduce a novel sigmoid-based OOD scoring function (NegS) that leverages both ID and negative labels, producing strong responses for ID instances and suppressed responses for OOD ones. Extensive experiments demonstrate that our approach improves OOD detection performance by a large margin while maintaining ID accuracy, e.g., reducing the FPR95 by 11.4% on the COCO dataset and 25.5% on the OpenImages dataset compared to the baseline model. While initially designed for dense VLM detectors like YOLO-World, we successfully adapt NegAS to Grounding DINO, a query-based VLM transformer and achieve significant improvements, demonstrating the generalizability of our framework.

Most real-world datasets used for training supervised learning models are contaminated with noisy data and outliers leading to large prediction errors. This paper proposes a new approach for achieving robustness where the learning rate is modulated by a factor that is sensitive to outliers. In this approach a reduction of the learning rate is shown to be achieved by using alternate loss functions that are infinitely differentiable, strictly convex or quasiconvex and more closely approximate the absolute error than Huber and log-cosh losses. A comparison of the performance of regression models trained with different loss functions on a wide variety of benchmarks and datasets is presented to demonstrate the superior performance of the Square Root Loss (SRL) and Smooth Mean Absolute Error (SMAE) losses proposed in this paper. Two new robust linear regression models are presented. Highly vectorized robust parameter update formulae that take advantage of modern GPUs for both stochastic and batch gradient descent are presented.

Detectors for GNSS radio-frequency impairments (jamming, spoofing, multipath) are usually reported with a single AUC measured on the distribution they were tuned on. That number falls once conditions move, and the size of the drop is rarely known in advance because labelled field data is scarce. We ask whether this optimism can be predicted before any out-of-distribution data is seen. On an open, parameter-grounded synthetic testbed with a tunable severity shift, we evaluate thirteen detectors (five physics baselines, full-feature logistic regression and multilayer perceptrons, and single-feature learned controls) across four impairment classes. The optimism gap, the difference between in-distribution and shifted AUC, grows monotonically as the shift deepens (mean Spearman correlation 0.50). It is driven by how many observables a detector uses rather than by whether it is learned, and it varies systematically by class. Centrally, a ridge model built only from in-distribution score statistics predicts the gap for a detector it has never seen (R^2 = 0.47) and for an impairment class it has never seen (R^2 = 0.46); both are significant against a 2000-fold permutation null (p < 0.001) and survive removing the feature that is, by construction, part of the target. The headline findings are synthetic. We then run the pre-registered protocol on three open field corpora: on Jammertest 2024 the cross-detector prediction holds (R^2 = 0.11, p = 0.009), and on SatGrid, whose spoofer power sweep gives a calibrated severity axis, in-distribution AUC overstates higher-severity AUC by up to 0.22 and to the point of sign inversion, with in-distribution AUC and realised gap perfectly rank-correlated (Spearman rho = 1.0). The mechanism survives contact with real data, at smaller magnitude than in simulation. We release the testbed, a software-receiver front end, the ingest adapters and the protocol.

Rejecting inputs outside the defined in-distribution (IND) service scope is critical for large language model (LLM) services, where unsupported requests should be filtered before full generation. Existing out-of-distribution (OOD) detectors often rely on final outputs or final-layer representations, leaving unclear where service-boundary signals are most clearly encoded inside the model; they also lack a theoretical guarantee for held-out inputs. In this paper, we introduce SCOPE (Sequential Conformal OOD Probing and Evaluation), a framework that selects a readable hidden layer, constructs a conformal gate with IND calibration, and uses a supermartingale e-process to certify persistent service-boundary evidence. Experiments across multiple LLM backbones and six carefully designed boundary conditions show that SCOPE improves gate-level rejection over standard final-layer detectors, while revealing how different OOD boundaries take different geometric forms in hidden space.

Understanding the generalization capabilities of visuomotor policies is essential in the development of capable robotic agents. Generalizable models learn structures that transfer across domains. However, in practice, visuomotor policies test performance by interpolation on known distributions using unstructured domain shifts (e.g. lighting, clutter, diverse objects). We argue that to measure generalization capabilities we must instead test the inductive capacity of policies on progressively harder, out-of-distribution task variants. We call this inductive generalization, drawing directly on how axis-based evaluation has revealed inherent generalization limitations in language models (e.g. sequence length, counting) arXiv:2502.00197 . We provide a reusable and formal evaluation protocol for measuring inductive generalization in any manipulation policy, and establish baselines showing that existing paradigms fail this test; e.g. SoTA Vision-Language-Action models and find that policies that appear to generalize to prior domain shifts (distractors, etc) fail inductive generalization tests. These results expose a class of learning challenges orthogonal to those addressed by data and model scaling in robot learning, yet are imperative to solve in order to realize general purpose robots.

As Self-Driving Cars continue to expand internationally and use multi-modal systems such as VLMs as a cognitive backbone for their Action models; how well will these systems generalize in new settings, in particular out-of-distribution (OOD) edge-case scenarios in new geographies? In this paper, we study this open question by providing a full factorial analysis with human drivers of Lima, human drivers from New York City, and VLMs and showing them dashcam footage collected from Lima and New York City -- prompting them with a variety of questions under a Visual Question Answering (VQA) paradigm. In particular, we pick these two cities as they are highly challenging driving locations where no Self-Driving Car company currently operates in, and ask questions that span 4 categories: Factual, Ratings, Counterfactual and Reasoning. We find that Humans and VLMs diverge in their responses -- though this is modulated by the type of questions asked, and that Humans answer similarly independent of where they are from (Lima/NYC). To our surprise, we did not find a strong difference in terms of answers (Humans or VLMs) that was modulated by geography, likely due to their high out-of-distribution nature. Our dataset is available at: https://huggingface.co/datasets/Artificio/robusto-2

Medical vision-language models (VLMs) enable zero-shot clinical image classification, yet reliably detecting out-of-distribution (OOD) inputs at deployment remains an open problem. No static scoring method works across all shift types: Maximum Concept Matching (MCM) on FLAIR achieves 76.4% AUROC for far-OOD but only 42.4% for covariate shifts such as ultra-wide-field fundus images, effectively random. We trace this to a structural mismatch: covariate-shifted inputs are indistinguishable from in-distribution samples in softmax space, yet occupy distinct regions in the VLM embedding space. To exploit this untapped signal, we propose PROTON (PROtotype-based Test-time ONline OOD detection), a lightweight post-hoc module that maintains an online prototype bank from high-confidence test predictions and adaptively fuses prototype distance with MCM scoring via stream-level variance statistics, requiring no model modification, training data, or prompt engineering. On the ophthalmology benchmark FLAIR + FIVES, PROTON improves MCM by +23.9 AUROC on covariate shift, +8.8 on semantic shift, and +8.1 on far-OOD, making it the only zero-shot method to improve all three without hierarchical prompts or labeled data. Code is available at https://github.com/GenMI-Lab/PROTON, and the project page is available at https://genmi-lab.github.io/PROTON.

Trained transformers reliably develop massive activations, a small number of hidden dimensions whose magnitude is far above the median and which concentrate on the sequence-start token. Whether these outliers are a removable artifact of the residual stream's overloaded read and write role, or instead a functional necessity, is actively debated. We test the artifact hypothesis directly, with an architectural intervention. Our architecture, Ledger Residuals, splits the residual stream into a mutable scratch stream (Deliberation) that intermediate computation may freely overwrite and a protected, decode-only accumulator (Commitment) that holds the representation the model reads out. If massive activations exist only because one stream is forced to be both scratchpad and answer, then a dedicated answer channel should remove the need for them. We find that it does not. In matched-loss language models at the 160M and 290M scales, the model rebuilds the canonical fixed-dimension, start-token outlier inside the protected channel. The rebuilt feature is smaller in magnitude than in a standard transformer but more sharply concentrated on the start token, and a stronger sparsity penalty makes it more persistent and more concentrated still, rather than removing it. Massive activations therefore look architecturally robust: they re-emerge in whichever representation the model decodes from, which is what we would expect if they are functional rather than incidental. We release our architecture and measurement code.

The increasing use of machine learning algorithms in social applications has raised concerns about fairness and transparency, leading to the development of counterfactual explanations. These explanations supports individuals to understand and potentially alter unfavorable decisions in areas such as loan applications, job selections, and more, by providing actionable changes to input features that would lead to a desired outcome. Existing methods often struggle to balance feasibility, plausibility, and computational efficiency. To address this, we introduce P$^2$CE, an algorithm for generating plausible Pareto-optimal counterfactual explanations, offering users a diverse set of optimal trade-offs between different notions of feasibility. P$^2$CE employs an auxiliary isolation forest outlier detector to ensure that explanations are in accordance with the data distribution and leverages SHAP values to obtain optimal results with short computing times, regardless of the underlying model. Our algorithm was empirically evaluated on three datasets, demonstrating superior performance in terms of both solution quality and computational efficiency compared to related techniques.

Out-of-distribution (OOD) detection in dynamic open-world environments requires a model to continually adapt to evolving data distributions while generalizing to covariate-shifted inputs and rejecting semantic-shifted OOD examples. Most existing OOD detection methods optimize only the current-step objective and do not explicitly account for how post-deployment environment changes affect future OOD behavior. In this paper, we establish a theoretical grounding for dynamic OOD detection using a reinforcement learning (RL)-guided optimizer that explicitly favors updates that reduce the semantic OOD false positive rate over time. We develop a novel augmented optimizer that uses an RL-guided correction term on top of standard gradient descent (GD) and show its improvement over both future-domain generalization and semantic-OOD rejection. We analyze temporal error decomposition in terms of model-change and environment-change generalization errors and develop a new theoretical framework for comparing the generalization errors under both GD and RL-guided optimizers.

While Multimodal Retrieval-Augmented Generation (M-RAG) enhances Large Vision-Language Models, it remains highly susceptible to cross-modal hallucinations, causal fabrications, and sycophancy. Furthermore, existing mitigation pipelines often face an intervention paradox: static rules tend to unnecessarily disrupt accurate generations, whereas leaving the multi-modal reasoning completely unguided allows existing mismatches to cascade into severe logical fabrications. To quantify and mitigate these hallucinations, we propose a Multi-Agent system, MODE-RAG, driven by Variational Free Energy (VFE) and internal attention states to dynamically gate interventions. High-risk queries are routed to five stage-specific agents, integrating Monte Carlo Tree Search (MCTS) for rigorous causal derivation and logit perturbations to penalize sycophancy. Dedicated Correction and Overseer agents ensure formatting stability and perform post-hoc factual verification. To objectively evaluate our approach, we introduce ModeVent, a challenging subset derived from the MultiVent dataset. Extensive experiments indicate that our system effectively reduces hallucination rates and logical fabrication, significantly improving the robustness of M-RAG systems.

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.

A certificate that removes outliers sees the data only through its low-degree moments, and an adversary exploits exactly this, hiding corruption where the clean data already looks typical, in the blind spot no bounded-degree test resolves. That blind spot turns out to have an exact size: the Christoffel function of the clean marginal, the very quantity modern data analysis thresholds to detect outliers, here read from the adversary's side as the corruption a bounded-degree certificate cannot remove. We turn this inversion into the organizing principle of the reweighted-hinge approach to robustly learning $γ$-margin halfspaces under malicious noise (Shen, 2025; Zeng and Shen, 2025): the governing resource is the Sum-of-Squares degree of the outlier-removal certificate, and the resolution principle states that the maximal corruption mass which can hide at a center $c$ from a degree-$2t$ certificate is exactly the Christoffel function $λ_{t+1}(c)$ of the clean marginal. Three consequences follow, all against the certificate method (not information-theoretic). A margin-degree tradeoff: certifying the dense pancake to error $ε$ costs SoS degree $Ω(\log(1/ε))$ or margin $Ω(\sqrt{\log(1/ε)}/\sqrt{d})$, explaining why the $\log(1/ε)$ margin Shen (2025) records is forced, with a weighted-Chebyshev reduction making the threshold $2t=Θ((|c|/s)^2)$ tight modulo one classical weighted-extremal estimate. A degree-$2$ outlier barrier: the resolution principle realized as an explicit instance on which degree $2$ is stuck at $η^{1/2}$ while degree $4$ escapes, locating the method's small breakdown rate in the degree, not the analysis. And a degree-$2t$ algorithm tracing the frontier $η^{1-1/2t}$ (recovering Shen (2025) at $t=1$), whose gain is an explicit constant, capped by the pancake density and shown unimprovable by the degree-$2$ barrier.

Do different LLM architectures encode high-level concepts in structurally compatible ways? We systematically characterize a geometric-functional universality dissociation: across multiple concept domains and architectural families, moderate geometric convergence coexists with near-perfect functional transfer. Using contrastive-difference CKA (CKA_Delta), a training-free diagnostic that computes kernel alignment on per-sample contrastive differences, we isolate concept-specific convergence from generic similarity -- achieving significant discrimination where standard CKA cannot. The dissociation replicates across all six concept domains we test (five with p <= 0.017 geometric discrimination and safety as a converging-functional trend, p = 0.08), including two non-instruction concepts (code-vs-NL, reasoning-vs-recall) validated without system prompts; a single 70B--70B pair provides an observational note that universality may strengthen with scale, requiring replication with additional >=70B models. We position CKA_Delta as a practical regime classifier and architectural outlier detector (Gemma: d = 1.08, AUC = 0.79) rather than an absolute transfer-accuracy predictor, providing a training-free diagnostic for cross-architecture concept monitoring.

Evaluating representation similarity is fundamental to representation learning. However, existing metrics suffer from significant limitations: they lack interpretability due to shifting baselines, lack robustness to outliers, and are computationally intractable for large datasets, forcing reliance on heuristic approximations. To address this, we develop an ordinal-similarity framework, instantiated by the Triplet (TSI) and Quadruplet (QSI) Similarity Indices, which measure alignment by quantifying the consistency of ordinal relationships. We theoretically demonstrate this formulation is inherently interpretable, robust to outliers, and computationally efficient. Finally, we establish a formal equivalence between TSI and local neighborhood alignment, measured by Mutual Nearest Neighbors. Empirically, we validate these properties and show that ordinal similarity offers a scalable approach to measuring alignment, enabling practitioners to better understand and design representations.

Deep neural networks have achieved remarkable performance across medical imaging tasks, yet their tendency to overgeneralize under distributional shifts poses a major obstacle to safe clinical deployment. Out-of-Distribution (OOD) detection methods aim to mitigate this risk, but most existing approaches rely on opaque internal signals with poorly understood semantic meaning, limiting trust in safety-critical settings. In this work, we propose an interpretable OOD detection framework that probes the stability of model predictions under class-conditioned semantic perturbations. Leveraging sparse autoencoders (SAEs), we learn class-specific concept vectors from in-distribution data that disentangle dense intermediate representations into sparse, semantically meaningful components. At inference, we perturb deeper-layer representations using the concept vectors associated with the model's predicted class and measure the class logits stability. We hypothesize that in-distribution samples exhibit low sensitivity to such perturbations, as their representations align with class-specific semantic directions, whereas OOD samples show amplified deviations due to representational misalignment. By framing OOD detection as a concept conditioned stability analysis, our approach provides both a discriminative OOD signal and an interpretable lens into the internal mechanisms driving model uncertainty, making it particularly suitable for high stakes medical applications.

Deep neural networks (DNNs) frequently fail to generalize to out-of-distribution (OOD) medical images because of variations in scanners and acquisition protocols. Retraining DNN models to address these distribution shifts is often impractical due to the high cost of acquiring and annotating new medical datasets. To address this, we introduce VarDeepPCA, a novel lightweight variational DNN framework designed to restore/refine degraded segmentation maps by leveraging intrinsic geometric priors. Unlike existing approaches that require target-domain data or extensive pre-training, our VarDeepPCA explicitly learns a distribution of valid anatomical geometries using only small in-distribution (ID) datasets. Theoretically, our novel variational learning framework leverages a reinterpretation of the softmax mapping to implicitly perform exact distribution modeling, thereby enabling computationally efficient, sampling-free learning and inference. This also enables VarDeepPCA to provide uncertainty estimates associated with its restored segmentation maps. We empirically validate our framework across 4 distinct clinical applications, using 14 publicly available datasets, involving segmentation of the myocardium, neuroretinal rim, prostate, and fetal head. Comparisons against 15 existing methods demonstrate that VarDeepPCA consistently restores segmentation maps produced by the existing methods on OOD data to (i) significantly improve anatomical plausibility of geometries and clinical utility of the segmentations, and (ii) significantly reduce errors, without needing any more training data than that used by existing methods.

4-bit quantization significantly reduces the memory footprint and accelerates the inference of large language models (LLMs). However, its limited bit-width representation struggles to faithfully capture both dense common values (\emph{inliers}) and rare large-magnitude values (\emph{outliers}), causing substantial accuracy degradation. Existing mixed-precision methods mitigate this by retaining outliers in high precision, but at the cost of breaking the uniformity of low-bit execution, introducing precision conversion and extra data movement that undermine practical speedup. We propose \textbf{MosaicQuant}, a unified 4-bit LLM quantization paradigm built on a novel principle of \emph{inlier--outlier disaggregation}. Rather than elevating outlier precision, MosaicQuant quantizes the full weight matrix into a dense 4-bit base component, where inliers are captured faithfully while outlier are inevitably quantized. A sparse 4-bit residual component is then introduced to compensate for these quantization errors, selectively targeting the most error-critical weight blocks where output distortion is shown to be concentrated. However, a unified representation alone is insufficient, as naïvely executing the sparse residual as a separate kernel still breaks the unified low-bit inference pipeline. To bridge this gap, we introduce \textbf{ZipperEngine}, which fuses sparse block computation into the dense 4-bit GEMM kernel via an overlapped pipeline, unifying not only the representation but also the execution into a single coherent low-bit inference pipeline. Extensive experiments on LLaMA3 and Qwen3 demonstrate that MosaicQuant preserves near-FP16 accuracy while achieving up to $1.24\times$ speedup over the W16A16 baseline.

The signed integer alphabet contains one more negative representable value than positive. Yet, by convention, the standard symmetric integer quantizer fixes its scale to be strictly positive, which assigns this extra representable value to the negative tail and can force clipping of positive outliers. In this work, we show that, at few-bit precision, such clipping is a non-trivial source of quantization error. Asymmetric quantization addresses this problem with a zero point, shifting the grid toward the observed data range; however, this flexibility is well-known to carry a runtime penalty. For example, in llama.cpp on an AMD EPYC(TM) "Turin" CPU, a 4-bit symmetric format uses up to 9% less memory with up to 2.45$\times$ higher throughput than its asymmetric counterpart. We highlight signed symmetric quantization as a third option that retains the runtime profile of symmetric quantization without the penalty of the asymmetric format: our signed absmax grid places the extra representable value on the dominant-outlier tail through a principled and lightweight sign selection rule while keeping the zero point at zero. Our theoretical analysis offers two main results. First, we establish the signed absmax grid as conditionally bound-optimal on $\ell_2$ quantization error, and show that the condition holds for 88-99% of weight groups across pre-trained large language models (LLMs) at low bit widths. Second, we show that negating the scale of a standard symmetric quantizer is analytically equivalent to a unit zero point shift on the same signed integer alphabet. We empirically validate our proposal on models from the Qwen3, Qwen3.5, and Llama3 families, and observe improvement in perplexity and downstream few-shot accuracy over the standard unsigned symmetric quantizer at no extra inference cost

The most widely used RANSAC variants score candidate models by counting inliers or summing per-point scores that saturate beyond a residual threshold. Every such score requires a user-supplied parameter that is a function of the inlier scale, which must itself be estimated from contaminated data. We remove this dependence by reversing the usual order of inference: rather than estimating the scale and then scoring against it, we marginalize the inlier scale analytically in closed form under a conjugate Inverse-Gamma prior for a fixed inlier partition, then optimize over partitions. A single closed-form expression spans the non-informative Jeffreys limit and informative empirical-Bayes priors, so the same score adapts across data-rich and data-scarce regimes without any change to the algorithm. The proposed RANSAC score is the first in which the inlier scale is genuinely absent from the formula. The score admits O(N log N ) computation via sort-and-sweep. On a benchmark of nearly 70 000 image pairs spanning different two-view estimation problems and both engineered and learned feature pipelines, the proposed score exceeds the state of the art (RANSAC, MSAC, GaU, MAGSAC): it stays nearly flat under threshold miscalibration where baselines degrade, reaches near-optimal accuracy from as few as two validation pairs where baselines need ont he order of 100 times more,. and tightens its prior regularization as validation data grows scarce.

Radio-frequency (RF) fingerprinting systems must operate in open-world environments where signals from unknown transmitters and temporal drift introduce distribution shift at test time. Out-of-distribution (OOD) detection provides a natural framework for this problem, yet its application to RF fingerprinting (RFF) remains limited. A key barrier to their adoption is that most OOD detectors require auxiliary OOD data for parameter tuning, an assumption that is difficult to satisfy in RF environments where representative OOD data is impractical to collect. In this work, we introduce a promising set of OOD detection methods from the machine learning literature to open-set RFF domain. We present these methods within a unified mathematical framework based on information theory, which is a natural framework for communication systems. Our framework allows for the systematic analysis of methods and development of new methods. We further demonstrate the applicability of recent work on tuning OOD detectors without given OOD tuning data for open-set RFF. We evaluate on the POWDER RF fingerprinting dataset, showing that detectors tuned without any given OOD data achieve performance comparable to baselines with access to true OOD tuning data and greatly out-perform baseline approaches without access to true OOD tuning data, showcasing the practical viability for the RFF problem.

We develop a new, differentially private mean estimator called the balloon mean. The main features of the balloon mean are that it is computationally tractable and enjoys robustness to outlying observations. It is based on an iterative clipping procedure over expanding Mahalanobis balls, or ``balloons.'' The method satisfies zero-concentrated differential privacy and depends on a small number of interpretable tuning parameters. We provide theoretical guarantees under heavy-tailed and contaminated elliptical models, characterizing its statistical performance and robustness to outliers. Extensive simulations demonstrate that the balloon mean is robust to heavy-tailed and contaminated data, and outperforms existing differentially private mean estimators in contaminated settings.

Machine-learning drug-discovery pipelines increasingly rely on generative models that propose molecules far from the data used to train downstream synthesizability filters. Existing filters (SAScore, SCScore, RAscore, DeepSA) are purely statistical and degrade in exactly this out-of-distribution (OOD) regime. We ask whether cheap, closed-form physical priors, used as auxiliary supervision on a graph neural network (GNN), improve OOD generalization. We add two auxiliary losses to a GINE backbone: a topological complexity regression supervised by the Bertz index, and a strain-energy soft penalty supervised by MMFF94 force-field energy. On a 65,177-molecule corpus (HIV, Tox21, COCONUT) labeled by SAScore thresholds we reproduce a strong in-distribution baseline, then evaluate a 4-way ablation (baseline / +complexity / +strain / +both) on a single-source OOD split (train on drug-like HIV+Tox21, test on COCONUT natural products), repeated over 5 seeds with paired bootstrap confidence intervals. All three physics-aware variants give a small but statistically significant OOD improvement over the baseline (mean OOD AUC 0.9774): +complexity Delta = +0.0060 (95% CI [+0.0023, +0.0102]), +strain Delta = +0.0032 ([+0.0008, +0.0052]), +both Delta = +0.0066 ([+0.0038, +0.0093]); every interval excludes zero, and the combination is best. The variants are indistinguishable in-distribution, so the effect is visible only under OOD evaluation. We are explicit that the effects are modest, and we report a cautionary methodological finding: a single-seed version of this experiment produced a qualitatively different (non-monotone) story that did not survive multi-seed evaluation.

Neural operators approximate mappings between function spaces, but often generalize poorly to other operators and usually require fine-tuning or retraining. In-Context Operator Networks (ICON) addresses this issue by prompting the model with numerical context so that the model learns specific operators from prompts and adapt to different operators without fine-tuning. However, ICON may still fail to generalize to out-of-distribution (OOD) operator tasks. Inpired by the success of harness engineering of Large Language models (LLMs), we introduce Chain of Operators (CHOP), a framework that harness a frozen ICON to OOD operator tasks without updating its parameters. Specifically, CHOP constructs a chain of operators consisting of explicit elementary transformations and the frozen ICON. Experiments on a scalar conservation law and a mean-field control problem show that CHOP reduces relative inference error over direct ICON evaluation, while each operator in the chain remains interpretable and in closed form. A chain constructed on one PDE family further generalizes to a different family, indicating shared mechanisms across harness systems.

Multi-channel mixed-SNR training improves out-of-distribution (OOD) generalisation of deep learning channel estimators for IEEE 802.11p vehicular communications, yet the internal mechanism responsible for this remains unexplained. This work presents REACH (Relevance-based Explanation and Architectural Compression for cHannel estimators), a gradient-based interpretability framework that operates at two levels. Input-level attribution identifies a subset of time-frequency features consistently relevant across all evaluated channel conditions, enabling input dimensionality reduction with minimal performance loss. Filter-level attribution reveals a near-universal internal representation, providing a representational account of the observed OOD generalisation. Guided by the resulting filter taxonomy, relevance-guided architecture compression substantially reduces both the number of parameters and the number of floating-point operations (FLOPs) with sub-1 dB normalised mean square error (NMSE) degradation, and OOD generalisation degrades more slowly than within-distribution accuracy under increasing compression.

Continual anomaly detection in tabular data is challenging and remains largely underexplored, particularly in settings with heterogeneous feature schemas, distribution shifts, and severe class imbalance. In many real-world applications, data arrive sequentially from diverse domains, rendering conventional continual learning methods ineffective due to their reliance on a fixed input space. We propose a continual learning (CL) method, which can overcome these challenges and continually learn from different tasks. Our method consists of three main parts: our AGF model, Taskfusion augmentation, and outlier exposure. The AGF-model maps task-specific features into a shared space, then aligns distributions to reduce representation drift, and learns anomaly decision boundaries in the aligned space. To improve stability, we introduce Taskfusion augmentation, combining boundary-aware interpolation within tasks to refine the model anomaly boundaries and cross-task mixing to transfer anomaly structure across datasets. To handle class imbalance and memory constraints, we employ tabular dataset distillation to store compact synthetic replay samples, which are jointly used with augmented data in an outlier exposure objective for robust anomaly detection. We evaluate the approach on 21 heterogeneous datasets across multiple domains. Results show that our approach substantially improves continual anomaly detection performance over sequential fine-tuning and other CL baselines while reducing catastrophic forgetting and maintaining stable detection across heterogeneous datasets.

Flow matching and diffusion models enable conditional generation across domains ranging from images to proteins, with recent extensions to out-of-distribution contexts. Yet generative models of neural time series have largely remained restricted to categorical conditioning, precluding compositional and zero-shot generalization. In this work, we propose a per-timestep conditioned diffusion transformer for generating realistic fMRI brain dynamics during unseen cognitive tasks by injecting both compositional language and optional spatial priors in-context. Such zero-shot generation could enable counterfactual neuroscience by supporting in-silico design and evaluation of novel cognitive experiments before empirical validation. Leveraging this model, we evaluate across hundreds of held-out task conditions and characterize predictive performance in relation to the training manifold. From language alone, the model recovers region-specific recruitment across tasks and held-out spatial activation patterns. Spatial priors, when available, complement the text pathway by anchoring generation in regions of task space where language alone degrades, while retaining the compositional structure needed for counterfactual task specification. To our knowledge this is the first generative model of whole-cortex fMRI dynamics for unseen cognitive tasks, advancing counterfactual neuroscience and data-driven experimental design.

In this paper, we study Mahalanobis-guided latent out-of-distribution (OOD) detection for test-time RL controller switching in nonlinear time-varying systems. RL controllers can quickly control high-dimensional systems within the training distribution, but their performance can degrade when time-varying dynamics produce unseen observations. We consider a combined ES--DRL controller, where RL provides fast in-distribution actions and bounded extremum seeking (ES) provides robust model-independent control under OOD operation. The key challenge is deciding when to switch. We train a variational autoencoder (VAE) on in-distribution beam-profile observations and use Mahalanobis distance in the VAE latent space to detect OOD beam profiles at test time. This OOD decision sets a binary switch that selects either the RL controller or the ES controller. We evaluate the approach in safety-critical particle accelerator control. In this setting, spatial magnet motion creates OOD beam profiles that were not seen during RL training. Visualization of the VAE latent space shows that the proposed method identifies this OOD scenario and provides an interpretable signal for switching between RL and ES in the combined controller.

Large Language Models frequently hallucinate in precision-critical domains such as technical diagramming and mechanical design, where outputs must satisfy strict geometric constraints. We study open-ended geometric synthesis from natural language: translating free-form descriptions into precise constructions whose entities must simultaneously satisfy dozens of interacting constraints. To make this tractable, we release PyGeoX, a programmable geometric DSL that compiles declarative constraints into a differentiable loss, and PyGeoX-Bench, a stratified suite of 300 problems with per-constraint verifiable rewards. Using PyGeoX as a verifier, we identify a failure mode we call Outlier Gradient Masking: under global-norm rewards (any scheme that aggregates residuals through a single norm, for example, $\exp(-\mathrm{MSE})$), a single outlier constraint can nullify the learning signal across all others. To address this, we propose Saturating Additive Rewards (SAR), which decompose the reward into bounded per-constraint terms, preserving partial progress and ensuring consistent gradients even under severe violations. Against MSE-based rewards, the natural baseline for geometry solvers, SAR improves the hard-tier solving rate by $2.3\times$, and the resulting 8B model is competitive with much larger frontier systems on this benchmark. We release the engine, benchmark, and data at https://github.com/Huawei-AI4Math/PyGeoX.

Standard flow and diffusion pre-training matches the distribution of available data (e.g., molecules), which often covers only a small fraction of the valid design space. In generative discovery, however, one aims to sample valid new-to-nature designs, assigned negligible probability under, and thus inaccessible to, standard models fitted to the observed data. To overcome this limitation, we depart from data distribution matching and view a generative model through its generable set: the region it covers with non-negligible probability. This allows to introduce a new learning principle for out-of-distribution flow modeling: enlarging a model's generable set to increase coverage of the valid design space. We propose Active Flow Expansion (ActFlow), a continued pre-training method that employs verifier feedback to expand a pre-trained model over new valid regions by iteratively adapting to synthetic data generated through active exploration in the learned flow representation. Theoretically, we establish to our knowledge first-of-their-kind statistical learning guarantees for out-of-distribution flow modeling, analyzing generable set expansion as a local-to-global reachability process over a learned representation. Empirically, we assess ActFlow with suitable out-of-distribution generative modeling metrics across small organic molecules, mid-sized drug-like molecules, therapeutic peptides, and protein sequence design tasks. Results show that ActFlow expands valid coverage far beyond the region modeled by the initial pre-trained model, significantly outperforming widely adopted synthetic flow pre-training methods.

Low-bit quantization has been widely adopted to accelerate the inference of large language models (LLMs) by significantly reducing computational cost and memory usage. However, activation outliers pose a major challenge to effective quantization, often leading to notable performance degradation. In this paper, we introduce OffQ, a method designed to mitigate activation outliers in low-bit quantization through a novel offsetting mechanism. Specifically, OffQ first identifies a low-dimensional outlier subspace in the activations using a proposed top-1 PCA, and then concentrates high-magnitude activations into 1 channel via rotation. OffQ then absorbs this concentrated outlier channel by converting its magnitude into a shared offset, thereby reducing the standard deviation of the activations. This offsetting strategy enables effective W4A4KV4 quantization of LLMs using deployment-friendly uniform-grid and uniform-precision quantization. Extensive experiments across diverse LLM architectures and benchmarks demonstrate that OffQ outperforms state-of-the-art baselines, consistently improving model accuracy while preserving low-bit efficiency.

We propose GP-Adapter, a training-free framework that augments CLIP (Contrastive Language-Image Pre-training) with Gaussian Process (GP) uncertainty modeling for few-shot classification and out-of-distribution (OOD) detection. While CLIP achieves strong zero-shot recognition, it yields deterministic similarity scores and offers limited uncertainty information, which is critical under distribution shift and data scarcity. GP-Adapter constructs modality-specific, class-wise one-class GPs on top of frozen CLIP embeddings using an RBF kernel for image features and a linear kernel for text prompts and fuses their predictive statistics to produce a variance-aware confidence score for OOD detection. The method requires no fine-tuning of the CLIP backbone and relies only on a small $K$-shot cache and lightweight hyperparameter selection, with memory cost scaling as $O(CK^2)$ for $C$ classes and $K$ shots. Experiments on ImageNet and multiple OOD benchmarks show that GP-Adapter provides competitive few-shot performance and consistently improves OOD detection when combined with prompt-learning baselines, highlighting the complementarity between GP-based uncertainty modeling and prompt learning. Overall, our results suggest that integrating probabilistic inference with large pre-trained vision-language models can improve reliability in low-data and distribution-shifted settings. Code is available at https://github.com/tms-byte/GP-Adapter

Graph Neural Networks (GNNs) have demonstrated remarkable performance across a range of applications involving graph-structured data, particularly in high-stakes domains. However, the opaque nature of their decision-making processes limits their trustworthiness and broader adoption. Existing post-hoc explanation methods aim to improve explainability by identifying subgraphs that influence GNN predictions and adopt mixup strategies to alleviate the out-of-distribution (OOD) issue caused by using subgraphs for prediction. Yet, these approaches typically rely on soft masks, which are inherently unable to fully eliminate label-irrelevant information, allowing redundant structures to leak into the mixup process and hindering the resolution of the OOD problem, thereby degrading explanation fidelity. In this work, we propose HPME, a Hard-Perturbation Mixup Explanation framework grounded in a generalized Graph Information Bottleneck, which leverages graph pooling to extract discrete explanatory subgraphs and to yield an information-capacity bound to thoroughly compress label-irrelevant components. Furthermore, we introduce a novel mixup strategy built upon structure-level replacement, generating in-distribution explanations to effectively mitigate the distribution shift. Extensive experiments on diverse tasks demonstrate that HPME achieves state-of-the-art performance in generating robust and interpretable explanations across both synthetic and real-world datasets.

Imitation-learning policies inherit the quality of the demonstrations they are trained on, and a growing set of curation metrics promise to score and filter low-quality demonstrations automatically. These metrics are each validated on different data with different protocols, so it is unclear which of them actually identify the demonstrations that harm a policy. We build a controlled testbed in which demonstration defects are injected with known type, and audit seven curation metrics along two axes: how well each separates defective from clean demonstrations, and whether training a behavior-cloning policy on each metric's curated subset improves task success. We study two defect regimes. Subtle perturbations (correlated action noise, tremor, truncation) are detectable by multivariate outlier scoring and, once removed, recover the full downstream gap. Structural errors, where the demonstration executes a wrong action at a key moment, are invisible to every action-only metric we test, and two of them are inverted: they score defective demonstrations as higher quality and, used for curation, tend to leave the policy at or below the uncurated baseline rather than above it. Only metrics that examine the state trajectory detect structural errors, and even the best of them recovers just a third of the downstream gap. High detection accuracy does not guarantee downstream improvement. We release the testbed and all curation implementations.

Out-of-distribution detection (OOD) is an indispensable technique when applying machine learning models to real-world scenarios. Most existing OOD detection methods have been developed under the idealized assumption of large inter-class distributional differences, while largely overlooking fine-grained tasks characterized by subtle variations, such as medical image classification and vehicle recognition. The high visual similarity among fine-grained subcategories, together with the interference of background factors, makes OOD detection extremely challenging. To tackle this problem, we propose a novel Dual Feature Decoupling Network (DFDNet), which addresses fine-grained OOD detection from the perspective of feature disentanglement. The proposed DFDNet comprises two key components: a spatial-frequency decoupling module and a reconstruction-guided decoupling module. The spatial-frequency decoupling module is designed to preserve content features that are discriminative for classification while suppressing task-irrelevant style information. On the other hand, the reconstruction-guided decoupling module introduces a novel pixel-level adversarial reconstruction task to further remove low-level, non-discriminative information and enhance category-specific high-level semantic representations. Extensive experiments demonstrate that our method achieves competitive performance improvements on multiple datasets.

Correspondence pruning aims to identify inliers from an initial set of correspondences. Most existing Graph Neural Network (GNN)-based methods rely on geometric features mapped from coarse Euclidean coordinates, which struggle to capture the subtle geometric consistencies presented by inliers. While Mamba-based methods possess global receptive fields and long sequence modeling capabilities, they tend to accumulate substantial inconsistent features within the hidden state space, making it difficult to distinguish inliers from outliers. In this paper, we integrate frequency domain perception into this task for the first time and propose SFMambaNet, a novel Spectral-Frequency enhanced Mamba-based two-view correspondence pruning network. Our method is collaboratively composed of two components: First, we design a Local Spectral-Geometric Attention (LSGA) block. LSGA incorporates spectral positional encoding into local graph interactions and introduces multi-scale Mamba processing to enhance the capture of subtle geometric consistencies and improve local feature discriminability. Building upon this, we design a Spectral-Integrated Global Mamba (SIGM) block. SIGM embeds a frequency gating mechanism within the state space, utilizing the frequency information provided by LSGA to explicitly suppress high-frequency noise accumulation within hidden states and mitigate the propagation of inconsistent features. This enhances inlier-outlier separability and achieves robust global context modeling capabilities with nearly linear complexity. Extensive experiments demonstrate that SFMambaNet outperforms current state-of-the-art methods on several challenging tasks. The code is available at https://github.com/Kirito14IT/SFMambaNet.

Data samples used for training often differ from those encountered during fine-tuning and deployment, and while ML models show promise, their performance remains limited when only small annotated datasets are available. Performance often degrades under distribution shifts caused by diverse sensors, populations, and application settings. Although pre-training helps, models frequently encounter out-of-distribution (OOD) data in real-world settings, leading to reduced robustness. Existing adaptation methods usually assume fixed distribution shifts and struggle when multiple types or severities occur. In particular, they overlook shift severity, for example treating adaptation to a large familiar dataset the same as adaptation to a small dataset with a new task, which limits generalisation. To address this, we propose ADAPTOOD, a novel framework that leverages data uncertainty to quantify distribution shift severity and guide fine-tuning for time series. This uncertainty measures how strongly samples from the target deployment distribution deviate from the pre-training distribution, providing a direct signal of OOD severity. Our framework combines this uncertainty with low-rank model updates and adaptive hyperparameter optimisation to improve adaptation. We show that ADAPTOOD achieves up to 7% higher accuracy and 12.9% higher precision than existing methods in OOD tasks, maintaining strong performance as distribution shift severity increases.

Accurate registration of CAD models to CT scans is essential for establishing ground truth geometry in volumetric imaging. Obtaining reliable object masks is of growing importance in machine learning settings; as recent architectures grow more capable, huge datasets are required to fully utilise their capabilities. Traditional intensity-based methods fail when CT grayscale values lack calibration references, while point-based algorithms (e.g., ICP, RANSAC) require feature correspondence unavailable between idealized CAD geometry and noisy volumetric CT data. We propose a two-stage geometric registration method for cylindrical objects (ionization chambers) that takes advantage of the distinctive geometric features of the objects. First, we estimate the 3D rotation axis by detecting elliptical cross-sections across CT slices, fitting ellipses to edge-detected contours, and performing PCA on the fitted ellipse centers after RANSAC outlier removal. Second, we voxelize the CAD model, orient it along the detected axis, and maximize volumetric overlap with the CT scan through translational adjustment. This approach achieves robust registration with tilt and orientation errors below $0.1^\circ$ without intensity calibration or feature matching. Once registered, the aligned CAD model provides ground truth geometry for applications including machine learning-based object localization and automated analysis in industrial CT workflows.

Open-set test-time adaptation (TTA) updates models on new data in the presence of input shifts and unknown output classes. While recent methods have made progress on improving in-distribution (InD) accuracy for known classes, their ability to accurately detect out-of-distribution (OOD) unknown classes remains underexplored. We benchmark robust and open-set TTA methods (SAR, OSTTA, UniEnt, and SoTTA) on the standard corruption benchmarks of CIFAR-10-C at the small scale and ImageNet-C at the large scale. For CIFAR-10-C, we use OOD data from SVHN and CIFAR-100 in their respective corrupted forms of SVHN-C and CIFAR-100-C. For ImageNet-C, we use OOD data from ImageNet-O and Textures in their respective corrupted forms of ImageNet-O-C and Textures-C. ImageNet-O is nearer to ImageNet, as unknown but related object classes (like ''garlic bread'' vs. ''hot dog'' for food, or ''highway'' vs. ''dam'' for infrastructure), while Textures is farther from ImageNet, as non-object patterns (like ''cracked'' mud, ''porous'' sponge, ''veined'' leaves). We evaluate the accuracy and confidence of TTA methods for InD vs. OOD recognition on CIFAR-10-C and ImageNet-C. We verify the accuracy of each method's own OOD detection technique on CIFAR-10-C. We also evaluate on ImageNet-C and report both accuracy and standard OOD detection metrics. We further examine more realistic settings, in which the proportions and rates of OOD data can vary. To explore the trade-off between InD recognition and OOD rejection, we propose a new baseline that replaces softmax/multi-class output with sigmoid/multi-label output. Our analysis shows for the first time that current open-set TTA methods struggle to balance InD and OOD accuracy and that they only imperfectly filter OOD data for their own adaptation updates.

Key-value (KV) cache quantization is widely used to reduce Large Language Model (LLM) inference memory, yet existing evaluations solely focus on measuring perplexity and accuracy without assessing the safety impact. In this study, we explore alignment preservation under KV cache quantization. Across eleven instruction-tuned models (3.8B-72B) and five benchmarks (1,894 prompts), we find that low-bit quantization can silently destroy safety alignment: Mistral-7B loses 15.2% of its refusals at only 1.03x perplexity, and no universal safe bit-width exists, with sharp model-specific phase transitions invisible to standard metrics. We identify that the root cause is geometric: safety features occupy a low-dimensional activation subspace 10^2-10^3x more vulnerable to quantization noise than the full representation space perplexity averages over. Inspired by this observation, we propose Per-Channel Reduction (PCR), a diagnostic that classifies each model into one of three mechanistic failure modes: outlier-crushes-safety, where safety lives in non-outlier channels collaterally damaged by outlier-driven scale factors; outlier-as-safety, where safety overlaps outlier channels and finer granularity cannot rescue it; and multi-layer dilution, where safety is distributed across many layers and per-layer fixes fail. PCR predicts the correct mitigation direction on all nine primary models and one held-out model from an independent family using 20 calibration prompts. PCR generalizes across unseen prompts, models, and production quantizers, including KIVI with up to 97.2% recovery, succeeding where attention-based allocation methods fail. The resulting training-free protocol, requiring approximately 35 GPU-minutes, recovers up to 97% of lost alignment at minimal memory overhead, addressing vulnerabilities confirmed in production vLLM serving with FP8 KV cache on NVIDIA GPUs.

Single-score translation metrics can conflate legitimate variation with error, a problem especially acute for classical languages where multiple defensible English renderings of the same passage coexist. We audit Pali-to-English output from four flagship large language models (LLMs): GPT-5.5, Claude Sonnet 4.6, Gemini 3.1 Pro, and Grok 4.3, on 1,700 passages from the Pali Canon, using three established human translations by Bhikkhu Sujato, Thanissaro Bhikkhu, and Bhikkhu Bodhi as a local reference envelope rather than a single gold standard. Each candidate's normalized embedding drift from the reference centroid serves as a triage signal, not an error label; the 1,203 candidates above a 1.5 drift threshold are then adjudicated by a blinded three-model LLM judge panel, calibrated against a 300-instance author-adjudicated validation set. Two results stand out. First, drift predicts severity rather than error per se: the major-error rate among adjudicated high-drift candidates rose monotonically from 7.9% in the 1.5-2.0 band to 51.6% above 3.0, while approximately 80% of 1.5-2.0 outliers were judged valid translation variations. Second, model differences were clearest in the high-drift tail: GPT-5.5 had the lowest adjudicated high-drift major-error rate, with confidence intervals overlapping those of Claude Sonnet 4.6 and Gemini 3.1 Pro; Grok 4.3 had both the largest outlier volume and the highest tail major-error rate (27.6% overall, 74.4% above drift 3.0). The dominant major-error categories (e.g. omission or truncation, doctrinal term errors) are precisely the failures most likely to mislead readers of doctrinal text. The contribution is a reusable audit design for classical-to-modern translation: define a local reference envelope from multiple human translators, use embedding drift to prioritize review, and adjudicate the flagged tail rather than treating outlier status as error.

We address the problem of out-of-distribution (OOD) detection for target observations embedded in a subspace of the high dimensional data space. Using continuous normalizing flows (CNFs), we propose a Lagrangian sub-flow (LSF) framework designed to isolate and estimate the density for the relevant components in the representation and using the remaining components as context. Through experimentation with models for speech synthesis, we show that CNFs, similarly to other deep generative models (DGMs), are susceptible to the "likelihood paradox", where high likelihood is erroneously assigned to OOD samples. This is attributed to the inductive bias of DGMs that prioritize low-level structural details over high-level semantic coherence. To mitigate this phenomenon, we propose a number of geometric diagnostic signals based on the velocity field over the sub-flow trajectory. Based on these signals, we design metrics for the challenging task of zero-shot phoneme-level mispronunciation detection. Finally, we demonstrate the superiority of these metrics compared to likelihood-based methods on a real-world mispronunciation detection benchmark.