OOD Generalization

OOD: Out-of-Distribution

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29 papers in the last four weeks, up 263% on the four weeks before. 0.2% of all new papers.

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Oct 8, 2026cs.LG

Prospective Prediction of OOD Degradation from Source-Side Training Dynamics

We study whether persistent out-of-distribution (OOD) degradation can be predicted before it is directly observed using only source-side training dynamics. In a controlled shortcut-learning setting, a simple logistic regression predictor develops a clear prospective signal, while training time alone does not. Temporal summaries of the source-side quantities are substantially more informative than their current values. When transferred without additional training from a CNN to an MLP, confidence and entropy dynamics retain substantial predictive information. These results provide a proof of principle that source-side training dynamics can contain an early warning signal for future OOD failure.

Sasha, Monin

Alexander · University of South Carolina 712 Main St, 404 Columbia SC, 29208

OOD Generalization Neural Network Training Dynamics

Oct 8, 2026cs.LG

MotiveMob: Motivation as Semantic Action for Closed-Loop Human Mobility Generation

Human mobility generation, an important task in urban research, synthesizes trajectory data for urban planning and transportation management. Human mobility can be characterized as a "why-where-when" decision process: people form an intention to move and then determine where and when the corresponding activity will take place. Trajectory generation under user-level and temporal distribution shifts may benefit from explicitly modeling this decision structure. However, many existing human mobility generation methods either represent behavioral intent at a coarse granularity, such as a daily plan or a trajectory-level description, or directly predict future locations without explicitly reasoning about a possible motivation for each movement step. We introduce MotiveMob, a motivation-driven autoregressive framework for human mobility generation that first forms a hypothesis about why the next movement may occur and then jointly generates where and when it may occur. At each step, a motivation predictor conditions on the current mobility state, a long-term behavioral report, and the mobility history to infer a plausible motivation or determine whether the trajectory should terminate. Given the hypothesized motivation, a state predictor grounds it in a candidate next location and arrival time. The candidate then undergoes speed-feasibility and repetition checks before being fed back for the next decision. We evaluate MotiveMob under distribution shifts involving unseen users and unseen temporal periods, including seasonal changes and the substantial behavioral disruption caused by the COVID-19 pandemic. Experiments show that MotiveMob consistently achieves better distributional fidelity than competitive pretraining-based and prompting-based methods under user-level and temporal distribution shifts, demonstrating robust generalization to out-of-distribution mobility patterns.

Mengkun Gao, Zengqing Wu, Renhe Jiang +6

The University of Osaka · The University of Tokyo · The Hong Kong University of Science and Technology +1

Trajectory Generation Conditional Generative Modeling OOD Generalization

Oct 7, 2026cs.LG

Physics-Aligned Electronic Ground-State Learning Improves Generalization

Machine-learned interatomic potentials (MLIPs) excel at in-distribution tasks, accelerating drug and material development, yet they struggle to generalize out-of-distribution. We propose to push the cost-accuracy Pareto frontier by designing observable-agnostic electronic ground-state descriptor models (GSMs) with computational costs situated between MLIPs and Kohn-Sham density functional theory (KS-DFT). We align the learning objectives and architectures of GSMs with the governing equations of KS-DFT by enforcing physical constraints and removing optimization pressure on unphysical or irrelevant degrees of freedom. In our size-extrapolation experiments from QM9 to QM40, our combined contributions OrthoNormal-Loss (ON-Loss) and Grassmann Restricted Occupied-Orbital Training (GROOT) reach a 79.1% energy and 83.4% force mean absolute error (MAE) reduction over previous state-of-the-art density GSMs. For Hamiltonian GSMs, ON-Loss and Residual Optimal-gauge Conditioning-aware KS-Eq. Training (ROCKET) together reduce the energy and force MAEs of the strongest baseline by 99.8% and 95.9%, respectively. Using a self-consistency rejection criterion, we filter out extrapolation errors on QMugs, rejecting fewer than 0.4% of predictions while reaching an energy MAE of 0.07 mHa. Finally, we demonstrate the efficiency of label-free self-consistency fine-tuning, and transfer GSMs to reactive chemistry in Transition1x, reaching energy errors below chemical accuracy.

Eike S. Eberhard, Xaver Kainz, Viktor Kotsev +2

Technical University of Munich (TUM) · Munich Data Science Institute (MDSI) · Munich Center for Machine Learning (MCML) +1

Physics-Informed ML OOD Generalization Quantum Chemistry Computational Materials Science Molecular Property Prediction

Oct 7, 2026cs.LG

Pretraining Shapes Spectral Structure: Architecture- and Strategy-Conditional Prediction of OOD Robustness in Foundation Models

Can we determine whether a foundation model will generalize out-of-distribution (OOD) before any target data is available? Existing diagnostics require source or target data, which rules them out before a target domain exists. Those that use the weights alone apply one statistic to every architecture, and do not separate robust models from fragile ones. We show the answer is encoded in the spectral structure of pretrained weights. Two forces shape that structure. Architecture determines how information is stored in weight matrices. Pretraining strategy determines what is rewarded. Together they set a spectral geometry that governs OOD robustness. We prove that the OOD accuracy gap is bounded by how tightly the source representations concentrate. A statistic computed from the pretrained weights alone serves as a proxy for that concentration. The direction of that proxy reverses between architecture families. We operationalize it: the direction is stable within one (architecture X strategy) combination, the finest grouping we test, which we call a cell. Pooled over 116 models spanning 7 modalities, a single statistic ranks OOD robustness weakly, because cells of opposite direction cancel. Within a cell, the statistic selected for it orders 92% of model pairs by OOD robustness in-sample. The selection does not leak the target: for each model family outside the matrix we logged the cell, metric and sign before running its OOD evaluation, and the predicted direction held in every case: EEG, genomic and protein. Acting on spectral concentration narrows the OOD gap by 24% at 87.5% ID retention. The diagnostic operates on released weights alone, so OOD robustness becomes checkable at model-selection time, before data or compute is committed to a target domain.

Sangyoon Bae, Sk Miraj Ahmed, Shinjae Yoo +1

Interdisciplinary Program in Artificial Intelligence Seoul National University Seoul, 08826, South Korea · Computational Science Initiative Brookhaven National Laboratory Upton, New York, 11973, USA · Department of Psychology Seoul National University Seoul, 08826, South Korea

OOD Generalization Neural Network Robustness

Oct 6, 2026cs.LG

A Systematic Study of Small Language Models on Abstract Reasoning Tasks

Endpoint accuracy on abstract-reasoning benchmarks does not reveal whether a language model has acquired a transferable rule or fit distribution-specific regularities. We study this distinction in small language models on the ARC-TGI benchmark, which organizes abstract grid transformations into controllable task families and supports resampling, spatial shifts, and cross-benchmark transfer. Across more than 1,000 runs, we profile decoder-only, encoder--decoder, and mixture-of-experts model families under supervised fine-tuning. We examine the efficiency and stability of skill acquisition, robustness beyond the training distribution, interactions with model family and task formulation, and layer-wise attention signatures that accompany behavioral differences. Substantial in-distribution accuracy is attainable, but acquisition is sensitive to optimization and unevenly distributed across task families. Performance deteriorates sharply outside the training distribution, including when the rule is retained but grid scale changes. Greater training-set depth and breadth yield uneven gains, while the effect of additional in-context examples depends on model family. Executable-rule induction also yields correct solutions not observed under direct grid generation. On selected tasks, attention diagnostics show distinct concentration and context-dependence profiles, but do not establish general causal mechanisms. Overall, abstract-reasoning scores are conditional on the model, adaptation regime, evaluation distribution, and response format.

Nur A Zarin Nishat, Jens Lehmann, Andrei Aioanei +1

Leibniz University of Hanover TIB – Leibniz Information Centre for Science and Technology and University Library · Amazon

OOD Generalization Language Model Robustness

Oct 6, 2026cs.LG

Complementary Supervised and Self-Supervised Representations for Out-of-Distribution Graph Learning

Out-of-distribution (OOD) generalization remains challenging for graph neural networks (GNNs), as graph distributions can vary substantially across time and domains. Supervised and self-supervised graph representation learning are guided by distinct objectives and offer different perspectives on graph representations. In this work, we study whether self-supervised representations (SSL) can provide complementary signals to improve supervised OOD node classification. We develop two backbone-agnostic frameworks that exploit such information at different stages of learning and prediction. Co-Train jointly learns supervised and SSL representations and adaptively integrates them during training, while Dual-Space Retrieval performs non-parametric prediction in the two representation spaces and combines their predictions through confidence-aware fusion at inference time. The supervised and SSL encoders are separately parameterized and need not share the same GNN architecture. We evaluate multiple GNN backbones and two distinct SSL objectives, DGI and GRACE, on four graph benchmarks spanning temporal and cross-domain distribution shifts. Extensive experiments show that Co-Train consistently outperforms strong supervised OOD baselines, while Dual-Space Retrieval achieves competitive performance as a flexible non-parametric alternative. Results across different backbones and SSL objectives, together with representation analyses and ablations, demonstrate that SSL representations provide complementary information to supervised representations and can improve OOD node classification across diverse settings.

Qingying Hao, Zikang Chen, Chuxuan Hu +4

ShanghaiTech University Shanghai, China · University of Illinois Urbana-Champaign Urbana, Illinois, USA · The Pennsylvania State University University Park, Pennsylvania, USA

Graph Neural Networks Graph Representation Learning Graph SSL OOD Generalization

Oct 5, 2026cs.RO

Bilinear Flow Policy: Distributional Extrapolation for Goal-Conditioned Visuomotor Imitation

Goal-conditioned imitation learning (GCIL) with flow matching is a promising framework that can represent multimodal behaviors while adapting to diverse, user-specified goals, yet often fails when goals lie outside the demonstration support. To extrapolate to such unseen goals without collapsing multimodality - a problem we call distributional extrapolation - we introduce Bilinear Flow Policy (BFP), a generative visuomotor policy that combines transductive retrieval with a bilinear conditional flow. Given an unseen observation-goal pair, BFP retrieves an "anchor" training example and transductively reformulates the unseen pair as this familiar anchor plus a residual term. For this decomposition to guide action prediction, the residual must compactly encode how the current observation-goal pair differs from the anchor, and the anchor must be chosen so that this difference is predictive of the corresponding action distribution. BFP achieves this with pretrained visual features and a novel learned anchor-selection algorithm. The novel bilinear flow then models how the anchor and the residual jointly determine the multimodal action distribution. We prove that, for bilinear flow under suitable assumptions, action distribution error at unseen goals is bounded by the in-distribution flow-matching error up to problem-dependent factors. Across five manipulation tasks in simulation, BFP achieves 2.63x the out-of distribution success rate of a GCIL policy and 1.36x that of the strongest extrapolation-targeted baseline. On two real-world tasks, BFP improves over GCIL by 32%. Finally, our theory yields practical, pre deployment diagnostics for predicting which trained policies will extrapolate well and to which unseen goal.

Wonsuhk Jung, Sundhar Vinodh Sangeetha, Chen Xu +4

Georgia Institute of Technology · Toyota Research Institute · University of Washington

OOD Generalization Visuomotor Policy Learning Imitation Learning Flow-Based Generative Modeling

Oct 5, 2026cs.LG

Beyond In-Distribution Preservation: Recovering Generalization in Quantized VLAs via Vulnerability-Oriented Tuning

Post-training quantization has been shown to preserve VLA performance under standard evaluation conditions, but whether it preserves the full-precision model's robustness and generalization remains underexplored. In this study, we systematically study the robustness and generalization of post-quantized VLA policies under environmental disturbances. Empirical results show that quantized policies can become fragile to subtle environmental variations despite retaining comparable in-distribution performance. We further observe that action discrepancies are concentrated in a small subset of rollout states, while teacher guidance has opposite effects depending on discrepancy: it improves generalization at high-discrepancy states but can degrade it at low-discrepancy states. These findings reveal that effective post-quantization recovery requires selectively intervening on vulnerable states rather than globally distilling the student. We therefore propose Policy-Induced Vulnerability-Oriented Tuning (PIVOT-Q), a vulnerability-aware On-Policy Distillation (OPD) framework that selectively corrects vulnerable states encountered during quantized-student rollouts using the frozen full-precision policy as a teacher. PIVOT-Q identifies vulnerable states using discounted accumulated discrepancies over a short horizon, applies phase-balanced sparse supervision, and uses a Behavioral Anchor to prevent unnecessary changes. Experiments under seven LIBERO-Plus environmental variations demonstrate consistent recovery across multiple VLA backbones and quantization methods. Notably, PIVOT-Q consistently outperforms full-state distillation across all settings while using only 7.4% of its state-level distillation budget. Our code is available at https://github.com/ruanruan-andy/PIVOT-Q.

Shen Ruan, Wenchang Gao, Jin Wang +4

Soochow University · Independent Researcher · Shanghai Jiao Tong University +2

VLM Quantization OOD Generalization Vision-Language-Action Models On-Policy Distillation Post-Training Quantization Robustness of VLA Models

Oct 4, 2026cs.LG

Arithmetic Actor Heads and Training Stabilization for Out-of-Distribution Reinforcement Learning

Reinforcement learning (RL) policies can deteriorate under out-of-distribution (OOD) magnitude shifts. Starting from soft actor-critic (SAC) and its Bayesian Amnesic Piecewise-Robust (BAPR) predecessor, we study the causal-symbolic BAPR (CS-BAPR) family. The practical method combines six training-stabilization settings with alternative actor heads: a Neural Addition Unit (NAU) with a Neural Multiplication Unit (NMU)-inspired quadratic correction, a Kolmogorov-Arnold Network (KAN), or a multilayer perceptron (MLP) with rectified linear unit (ReLU) or hyperbolic-tangent activations.

Yifan Zhang, Liang Zheng

Central South University

OOD Generalization Soft Actor-Critic

Oct 1, 2026cs.LG

Structure-agnostic Causal Representation Learning

Causal representation learning aims to discover robust features by exploiting the causal structure underlying data generation. Existing methods require specifying the causal structure a priori, yet different structures demand fundamentally incompatible invariance constraints, and misspecification leads to representations that discard predictive information. We introduce SaCRL, a framework that jointly identifies the causal structure and learns the corresponding invariant representation without prior structural knowledge. Our approach formulates structure selection as a soft optimization over candidate invariances using HSIC-based violation metrics, with adaptive weights that automatically concentrate on the achievable structure. We provide theoretical guarantees for structure identification, including under random-feature approximation, invariance satisfaction, and out-of-distribution generalization. Empirically, SaCRL recovers the true structure on synthetic and semi-synthetic Bayesian-network benchmarks, outperforms fixed-invariance baselines on Colored MNIST, achieves state-of-the-art accuracy on three DomainBed benchmarks (PACS, VLCS, OfficeHome), and degrades gracefully under structural misspecification and limited environment diversity. Code is available at: https://github.com/ArmanBehnam/sacrl.

Arman Behnam, Binghui Wang

Department of Computer Science Illinois Institute of Technology Chicago, IL, USA

Causal Representation Learning OOD Generalization Causal Structure Learning Causal Identifiability Invariant Representation Learning

Sep 30, 2026cs.CV

Unapologetically Distributed: A Call for Decentralized Document Analysis

Privacy has become an increasingly important concern in the Document Analysis community, to the extent that in many environments such as archives, governmental institutions, and local businesses, the adoption of automation is restricted by legal and policy constraints. While federated learning has often been regarded as a ``necessary evil'', implying an unavoidable performance trade-off in exchange for decentralization and privacy, many prior works overlook its potential to improve robustness to out-of-distribution data. In this paper, we present Unapologetically Distributed, the first comprehensive study evaluating distributed learning in Document Analysis along three key axes simultaneously: the tasks addressed, the architectures employed, and the fine-tuning strategies applied. Specifically, we demonstrate how various distributed training approaches enhance generalization capabilities across diverse tasks such as Table Recognition, handwriting recognition, and Word Spotting, particularly during transfer learning stages. Our results provide strong evidence that decentralization is not merely a constraint, but a valuable opportunity to improve model robustness and adaptability in real-world Document Analysis scenarios.

Adrià Molina, Oriol Ramos Terrades, Josep Lladós

Centre de Visió per Computador Universitat Autònoma de Barcelona Bellaterra, Catalonia · Computer Science Department Universitat Autònoma de Barcelona, Bellaterra, Catalonia

OOD Generalization Decentralized Learning Federated Fine-Tuning Document Image Understanding Federated Learning

Sep 30, 2026cs.LG

How Many Samples Are Enough for Learning Across Domains?

Understanding the fundamental mechanisms of learning is essential for designing systems with strong generalization. Recent studies have shown that increasing the number of training domains, or enlarging the distribution shift among them, improves generalization when each domain contains sufficiently many data samples. However, the conditions under which the data samples can be considered sufficient remain unexplored. In this work, we fill this gap by establishing criteria for per-domain sample requirements based on the presented learning bounds. These criteria not only reveal an inverse linear scaling law between the number of training domains and the number of samples required per domain, but also explain the fundamental rationale behind the assumption of data sufficiency, thereby providing theoretical guidance for assessing the adequacy of existing datasets and constructing datasets. This differs from classical learning theory, as the number of samples required is highly dependent on the number of training domains. Additionally, we prove the close relationship between in-domain learning and out-of-domain generalization through the presented generalization bounds, and lastly discuss some key arguments.

Hong Zheng

This work was completed during my Ph.D. period and was the result of a flash of inspiration. I decided to submit it to arXiv and leave its value to the readers.

Sample Complexity Domain Generalization OOD Generalization Cross-Domain Generalization Generalization Bounds

Sep 30, 2026cs.LG

Attention Function as an Intrinsic Inductive Bias: How Models' Behavior Diverges in Novel Contexts

Developmental psychology holds that certain priors are given to infants prior to experience rather than induced from data, and that the influence of such priors is suppressed under strong, well-constrained conditions but reasserts itself under weak ones. We ask whether an analogous principle holds for the Transformer: can the activation function given to attention heads serve as an intrinsic inductive bias? We propose Mixture of Function Attention (MoFA), a parameter-free modification to multi-head attention that fixes a ratio of softmax and sigmoid heads before training. Across five ratios, a 124M-parameter GPT-2 model, and five seeds, we find that this given ratio has little effect in-distribution -- differences between ratios are statistically negligible for moderate mixtures and remain small even at the extremes -- but its influence re-emerges sharply under zero-shot distribution shift across 15 out-of-distribution domains. Perplexity gaps between ratios widen by more than an order of magnitude on several domains, and the best-performing ratio tracks a single axis of domain structure, separating short, informal text (softmax-favoring) from technical, long-form text (sigmoid-favoring), that explains 78.3% of the variance in domain response. This reorganization is visible at the head level: sigmoid heads show an accelerating drop in attention entropy as their ratio increases, while softmax heads respond more modestly, yielding a consistent division of labor between the two head types. Our results suggest that activation choice functions as a given prior whose influence is masked in-distribution and re-emerges out-of-distribution.

Dong Gyun Kang, Megha Thukral, Kwangsoo Kim

College of Computing, Georgia Institute of Technology · Department of Transdisciplinary Medicine, Seoul National University Hospital

Attention Head Analysis OOD Generalization Attention Mechanisms Hybrid Attention

Sep 29, 2026cs.CV

Inductive Visual Logic for Few-Shot Out-Of-Distribution Adaptation in VLMs

Generative vision-language models (VLMs) such as Qwen-VL and LLaVA achieve strong zero-shot performance on tasks overlapping with their pretraining distribution, yet fail on specialized domains where the required discriminative features were never learned, a regime we term distant out-of-distribution (OOD). Standard adaptation methods cannot overcome this representational absence because they operate within the encoder's existing feature space. However, VLMs retain a robust descriptive capacity even when discrimination collapses: a model that cannot classify a medical scan can still articulate its visual patterns. Exploiting this asymmetry, we introduce Inductive Visual Logic (IVL), a training-free framework that constructs classification knowledge from the model's surviving descriptive ability. IVL extracts visual traits from few-shot support images through dual-mode prompting, combining semantic descriptions with primitive visual observations, and organizes them into per-class trait dictionaries. At inference, hierarchical filtering identifies spatially grounded trait evidence for classification. Across multiple distant-OOD benchmarks, IVL achieves the highest aggregate accuracy under two VLM backbones while producing interpretable, trait-traceable predictions.

Hung-Jen Chen, Yu-Heng Ho, Ting-Yao Huang +4

National Tsing Hua University, Hsinchu, Taiwan · National Taiwan University, Taipei, Taiwan

Vision-Language Models Few-Shot Domain Adaptation VLM Adaptation OOD Generalization

Sep 28, 2026cs.LG

A Unified Uncertainty Representation for Graph Neural Networks via Doubly-Spectral Stochastic Expansion

Reliable deployment of graph neural networks requires calibration, out-of-distribution (OOD) detection, and robustness to distribution shift, yet existing methods address these needs with separate models and objectives. We model uncertain node embeddings as random graph signals: graph Fourier filters capture structural variation, and a scalar orthogonal-polynomial chaos coordinate captures latent stochastic variation. The resulting doubly-spectral stochastic (DSS) expansion supplies task-matched readouts from one representation: the mean coefficient encodes class evidence for the energy-based OOD score, the higher-order coefficients encode structured logit variation, and quadrature averaging over the chaos coordinate defines the single predictive distribution used for prediction and calibration. A capacity theorem shows that, under a full-rank feature assumption, a restricted subfamily matches the chaos coefficients of any Gaussian-latent random graph signal, with exponentially decaying truncation error under a growth condition; the task-level claims are established empirically. DSS-GNN has two deployment modes: standalone, or as a residual branch beside a deterministic encoder (DSS-Hybrid). Standalone DSS-GNN achieves the lowest Brier score among the compared uncertainty-aware baselines on all 14 node classification benchmarks without post-hoc correction; DSS-Hybrid achieves the best AUROC on most node-OOD settings, competitive cross-graph OOD detection, and the strongest shifted accuracy on all 7 GOOD concept-shift benchmarks under standard empirical risk minimization (ERM). Cross-evaluating both modes on all three tasks shows that each remains effective on the other's tasks, with documented exceptions, and yields explicit deployment guidance.

Fred Xu, Thomas Markovich, Florence Regol +1

Department of Computer Science University of California, Los Angeles · Block, Inc. · Mila, Quebec AI Institute

Graph Neural Networks Uncertainty Quantification OOD Generalization OOD Detection

Sep 28, 2026cs.LG

Beyond Site Agreement: Re-estimation for Brain Network Generalization

Cross-site out-of-distribution (OOD) generalization in resting-state functional magnetic resonance imaging (rs-fMRI) often relies on learning task-discriminative representations from full-scan functional connectivity (FC) graphs and promoting invariance across source sites. However, FC graphs are estimated from finite, temporally correlated blood-oxygen-level-dependent (BOLD) sequences. Cross-site agreement therefore does not necessarily imply that predictive evidence remains supported under FC re-estimation within the same scan. In this paper, we propose Brain Network Re-estimation-Informed OOD Learning (BRIO), a framework that uses within-scan FC re-estimation to guide cross-site alignment. BRIO maps fullscan graphs and their re-estimates into consistently indexed connectome factors, enabling comparisons of their predictive contributions. It assesses re-estimation support from changes in these contributions relative to within-class subject variability and class separation. For each source-site pair and class, this task-calibrated support from both sites is combined with predictive relevance to form pairwise qualifications, which determine relative factor weights and overall alignment strength. Leave-one-site-out experiments on four real-world datasets (ABIDE, REST-metaMDD, SRPBS, and ABCD) show that BRIO consistently outperforms competitive baselines, with relative improvements of up to 3.8% in accuracy. These gains also persist under an alternative brain parcellation on ABIDE.

Yingxu Wang, Kunyu Zhang, Yanwu Yang3 +4

Mohamed bin Zayed University of Artificial Intelligence · Zhengzhou University · University Hospital Tübingen +3

Functional Connectivity OOD Generalization Brain Network Analysis

Sep 27, 2026cs.LG

OOD Generalization as a Bifurcation Problem

Systematic out-of-distribution (OOD) generation remains a critical bottleneck for continuous-time generative models. While standard joint classifier-free guidance (CFG) routinely fails to synthesize unobserved concept combinations, exact decomposed scoring generalizes robustly at the cost of severe computational overhead. In this work, we reveal that compositional binding is not a uniform process but a highly localized phase transition. We identify the semantic bifurcation window - the precise temporal interval where joint and decomposed vector fields meaningfully diverge. Exploiting this dynamic, we propose surgical guidance, a hybrid sampling strategy that restricts exact multi-pass scoring strictly to this critical window. On an OOD bi-digit MNIST testbed, surgical guidance achieves state-of-the-art compositional fidelity at a fraction of the inference cost, yielding a +5.3% absolute improvement in pairwise accuracy over the joint baseline by intervening during just the first 15% of the diffusion trajectory. Furthermore, our empirical analysis uncovers a fundamental topological divide: diffusion models (SDEs) force conceptual resolution immediately at peak noise, whereas Conditional Flow Matching (ODEs) delays structural binding until intermediate features emerge, establishing a new temporal framework for accelerating large-scale generative decoding.

Nguyen-Thanh-Luong Doan, Quang-Vu Nguyen, Tang-Phu-Quy Le +1

The University of Danang - Vietnam-Korea University of Information and Communication Technology

Diffusion Model Guidance OOD Generalization Compositional Image Generation Diffusion Model Inference Acceleration

Sep 26, 2026cs.AI

Instruct, Not Answer: Using Instruction Privileges in On-Policy Context Distillation

On-Policy Context Distillation (OPCD) has recently emerged as a powerful technique for transferring context to student models and for self-improvement. In OPCD, the teacher is conditioned on privileged information, and the goal is to minimize the Kullback-Leibler (KL) divergence between the privileged teacher and the student, evaluated on student-generated tokens. Many existing studies show that using instance-specific gold answers or gold demonstrations as the default privilege can hurt training performance, especially out-of-distribution (OOD). In this work, we instead design general instructions that target common student mistakes observed on the training samples, and show that such simple instructions can outperform gold as the OPCD privilege. In autoformalization tasks, using a matched formatting instruction as the privilege could outperform gold in OOD accuracy by a large margin. In 7 out of 8 experiments using ProverQA, ProofWriter, and ProntoQA as datasets, and Qwen3-Thinking and Olmo3-Thinking families as models, matched instruction privileges outperform gold in OOD by 4 to 17 points, while remaining on par with gold in-domain. Each instruction is only a few sentences (and thus contains much less information compared to all instance-specific gold) and is applied uniformly to every training sample. These results indicate that a general instruction, which applies equally to source and target domain examples, can be substantially more transferable than instance-specific gold in OPCD while maintaining in-domain performance.

Hantao Yu, Xiaoxue Han, Udaya Ghai +4

Columbia University · Amazon Web Services

OOD Generalization On-Policy Distillation Context Distillation Learning Using Privileged Information

Sep 24, 2026cs.AI

Baszta: Data-Centric Fine-Tuning of a Polish Multi-Label Safety Classifier

We develop a multi-label Polish content-safety classifier by fine-tuning allegro/herbert-base-cased (124M) across five categories (hate, vulgarity, sexual content, crime, self-harm) using a Focal + R-Drop objective, and evaluate the resulting model against Bielik Guard (Sójka) on the shared out-of-distribution Gadzi Język benchmark. Both systems are given per-category threshold tuning on the same calibration split. Under that matched protocol our model holds a small but statistically significant lead in micro F1, while an apparent macro-F1 lead does not survive: it was an artifact of comparing a tuned model against an untuned one. We also report what that micro figure is worth. Because Gadzi Język is 97% crime-positive, a classifier that flags crime on every input and nothing else already scores 0.910 micro F1 on the same test split, so micro separates neither system from a degenerate strategy and macro is the column that does. Per-category and per-protocol figures are reported in Section 4. The residual out-of-distribution gap is one of calibration rather than discrimination. Ranking quality stays high while positive probabilities collapse, and per-category temperature scaling recovers the loss where Platt scaling and isotonic regression do not. That recovery turns out to be conditional on the calibration set containing safe text. Gadzi Język contains almost none, so thresholds fitted on it flag crime on every safe input, and a balanced refit buys a deployable operating point at the cost of adversarial recall. We report both operating points rather than only the flattering one. Two changes that are standard practice, per-class cost-sensitive weighting and mean pooling, each raise in-distribution macro F1 while lowering the out-of-distribution figure, which indicates that robustness has to be selected for directly rather than inherited from in-distribution accuracy.

Adam Górski, Mateusz Jąkalak, Rafał Jakubowski

Billennium S.A.

Multi-Label Classification Language Model Safety Evaluation OOD Generalization Content Moderation Language Model Calibration Safety Filtering

Sep 23, 2026cs.AI

Evaluation of pre-trained models for pedagogical assessment of novel AI-assisted educational questions

The surge in AI-assisted generation of educational materials has outpaced our capacity to validate their pedagogical quality. Automated evaluation using Bloom Classifier models is a promising approach to assess educational materials at scale. These models show high accuracy within-distribution dataset (IID Dataset). However, applying the same models to new out-of-distribution (OOD) datasets such as AI-assisted generated questions could show performance degradation. To identify robust classifiers under dataset shift, we evaluated traditional Machine Learning (ML), transformer, and Large Language models on the Bloom level classification task. We also explored feature-engineering strategies incorporating NLP metrics, appending the learning objectives as part of the input, and text splicing to stabilize OOD performance. Our baseline tests show that TFPOS-IDF ML models perform poorly on OOD (Macro F1-score 0.48) compared to BERT (0.55) and LLMs (0.79). Text splicing improved macro F1-score performance of ML and BERT models (0.59 and 0.62, respectively). Appending the learning objectives with the input increased model performance on specific dataset. Model retraining provided the largest improvement across models and datasets. Overall, these findings highlight the trade-off on the use of pre-trained models with novel AI-assisted educational questions and how strategic feature enhancements help address loss in performance.

Michael Lawrence Castanares, Princess Ventures, Allan Tan

Predictive Systems Inc, Ortigas, Pasig City, Philippines, 1605 · Better Labs Oy, Helsinki, Finland

Educational Assessment OOD Generalization Generative AI in Education Language Model Robustness

Sep 22, 2026stat.ME

CVaR anchor regression protects against rare shifts

We study prediction in new environments when training data contain rare, large shifts. Anchor regression penalizes the average of the squared mean residual across environments. It protects against shifts in an ellipsoid determined by the second moment of the training shifts. Covering rare shifts may therefore require a large penalty, expanding the ellipsoid in every direction and reducing accuracy on common environments. We propose CVaR anchor regression, which replaces the average of the squared mean residuals with a tail average. Unlike CVaR or GroupDRO applied directly to prediction risks, it does not give environments more weight solely because their noise levels are high. We prove an exact worst-case risk guarantee under a linear structural model that allows for heteroscedastic noise. For discrete environments, decreasing the CVaR tail fraction expands the robustness set from an ellipsoid to a scaled convex hull of the training shifts and their negatives. A separate parameter controls its scale. Examples show how the method can improve protection against rare shifts while retaining accuracy on common environments. We illustrate the method on New York City taxi data.

Malte Londschien

Distribution Shift Robustness Robust Regression OOD Generalization Conditional Value-at-Risk

Sep 21, 2026cs.LG

RRSI: Regularized Recursive Self-Improvement of Agent Harnesses

An LLM agent's capability is largely magnified by its harness, namely the prompts, control flow, tooling, memory, and context management surrounding the frozen backbone model. Recent methods increasingly automate this process by iteratively proposing and selecting component-wise edits of an agent harness, practically establishing a form of recursive self-improvement (RSI) at the agent-system level. However, such recursive evolution may overfit by memorizing the training tasks, showing large in-distribution gains that shrink or even vanish on out-of-distribution benchmarks. We introduce Regularized Recursive Self-Improvement of Agent Harnesses (RRSI), which incorporates the principles of regularizations into harness self-improvement by constraining the evolution candidate proposal and selection. The proposer operates with a temporally annealed budget, limiting how many edits a candidate can bundle, and it encourages unexplored trajectories based on evolution history. The selector is equipped with a critic and a pruner: the critic screens benchmark-specific proposals, while the pruner, removes changes that are too small, too expensive, or no longer useful. Together these constraints favor reusable agent mechanisms over benchmark-specific ones or even noises. Across eight benchmarks spanning coding, agentic workspace and engineering design tasks, RRSI gains up to 6.0 points on the split it evolves against and up to 4.3 points on the five out-of-distribution benchmarks, while producing a harness that runs on 30% fewer policy tokens than the unregularized evolution. Code is available at https://github.com/google-research/rrsi and project page is https://regularized-rsi.com/.

Peng Xia, Rujun Han, Zifeng Wang +11

Google Cloud AI Research · UNC-Chapel Hill · Stanford University +1

OOD Generalization Agent Harness Optimization LLM Agent Self-Improvement Recursive Self-Improvement

Sep 21, 2026cs.LG

Learning Physics from an Imperfect Ancestor

Neural operators evaluate parametric partial differential equations cheaply but degrade sharply outside their training distribution. Physics-informed neural networks avoid dependence on labeled data, yet their optimization can be basin-fragile: when the governing residual admits multiple solutions, a PINN trained from scratch may converge to a physically incorrect state despite achieving a small residual. We show that these failure modes can be addressed jointly: an imperfect NO provides the structural prior needed to place a PINN in the correct solution basin, while the PDE residual refines the solution beyond the operator's accuracy. We introduce a three-stage framework that freezes the spatial basis of a physics-informed NO, extrapolates its solution branch to an out-of-distribution parameter using a polynomial continuation prior, and distills the resulting field into a fresh PINN. The NO need not be accurate at the target; it transfers solution-branch information, while PDE residual minimization in the PINN governs convergence. We evaluate the framework on three nonlinear PDEs: 1D viscous Burgers, 2D steady Allen-Cahn near a pitchfork bifurcation, and 2D steady lid-driven cavity flow. For Allen-Cahn, where the trivial solution satisfies the PDE residual exactly, a standard PINN collapses to the trivial zero branch, whereas distillation from the crude extrapolated operator recovers the non-trivial branch that matches the finite-difference reference. For the lid-driven cavity, extrapolating to a Reynolds number of Re = 3200 accelerates convergence to the correct physical state, achieving competitive accuracy using fewer parameters and optimization steps than recent literature baselines. These results establish a simple principle: an NO need not accurately predict the solution to be useful; it only needs to identify the correct basin from which PINN optimization can recover it.

S. Mohammad Mousavi, Teeratorn Kadeethum, Nikolaos Bouklas +1

Sibley School of Mechanical and Aerospace Engineering, Cornell University · AI Lab, Siemens Energy · Department of Civil and Systems Engineering, Johns Hopkins University

PDE Surrogate Modeling OOD Generalization Physics-Informed ML Physics-Informed Neural Operators

Sep 21, 2026cs.LG

Exactness at Inference: A Representational Criterion for Out-of-Distribution Generalization

A model generalizes outside its training distribution only when it computes a representation structurally equivalent to the generating mechanism, not an approximation fitted to it. Such equivalence is necessary for exactness in and out of distribution, and extrapolation is governed by this exactness at inference, whatever its realization. Tensor Logic shows this: a zero-temperature contraction is equivalent to discrete logic, deducing in place with no artefact extracted, its tensors Boolean, its embeddings orthonormal, only its arithmetic continuous. Lacking infinite recursion it reaches Datalog, not Prolog, and though exact over closed domains it needs external memory to bind a novel entity. The criterion needs neither a discrete representation nor an extracted expression, and constrains inference, not training: an exact marginal in

[0,1]

passes, a Neural Network thresholded to a hard label does not. Logic Tensor Networks fail it, while differentiable ILP and Tensor Logic at

T=0

pass. Piecewise-affine extrapolation divergence and an inability to bind novel entities are two faces of a shortfall in exact representability. For hybrid architectures, a propagation rule follows: the output inherits the bounds of every fitted estimator on its path, explaining which axes fail in equivariant models and the ARC-AGI induction/transduction split. Only an exact hypothesis class certifies what the training data leave underdetermined: on a law-derived partition it finds the

56.3\%

of distant queries that are answerable, which ensembles meet with false confidence and distance metrics rank backwards. Common inductive biases, from symmetries to memory, reach exactness only because humans inject them, an argument for inducing exact representations rather than fitting surrogates whose residuals, even at the arithmetic floor in training, diverge outside the data and compound under composition.

Filipe Marinho Rocha, Inês Dutra, Vítor Santos Costa +1

Faculdade de Ciências da Universidade do Porto, Porto, Portugal · INESC TEC, Campus da FEUP, Porto, Portugal · Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, Porto, Portugal +1

OOD Generalization Compositional Generalization

Sep 20, 2026cs.LG

Physics-residual machine learning predicts oxygen-evolution catalyst activity beyond the training range from sparse polarization measurements

Discovery campaigns for oxygen evolution reaction catalysts repeatedly choose, make and measure catalysts. High-throughput platforms stop polarization curves below potentials that damage the catalyst, so the endpoint, the activity at a target potential or current density, often lies beyond the measured window, and the catalysts of most interest are more active than any measured before. Existing methods do not predict these endpoints accurately when few or no endpoints of a new library have been measured. Here we present physics-residual machine learning (PR-ML), which predicts each endpoint as the sum of a Tafel term, computed from the catalyst's own measured curve with an estimated slope, and a residual term learned from labelled catalysts. In twelve Ni-Pd-Pt-Ru thin-film libraries, the current density at 1.70 V

_{RHE}

was predicted from the currents at 1.40 and 1.55 V

_{RHE}

. Fitted only on earlier libraries, with ridge regression as the residual learner, PR-ML predicted the Ni--Ru library, whose currents mostly exceed theirs, with a mean absolute error of 0.194 mA cm

^{-2}

, against 1.330-1.882 for data-driven models. With five endpoints from the new library and extremely randomized trees as the residual learner, PR-ML gave a similar error, which the same learner used alone reached only with 20, and identified 63-83% of the catalysts more active than the best labelled catalyst, against 2%. In two independent datasets, this fraction rose from at most 1% to 33-95%. Our approach supplies catalyst selection with accurate endpoints beyond the measured part of each curve and above all earlier measurements.

Yong-Woon Kim, Jihyeok Lee, Sungtae Park +2

Department of Computer Engineering, Jeju National University, Jeju 63243, South Korea · Green Hydrogen Global Leading Research Center, Jeju National University, Jeju 63243, South Korea · Faculty of Applied Energy System, Jeju National University, Jeju 63243, South Korea +2

OOD Generalization Materials Property Prediction Physics-Informed ML

Sep 20, 2026cs.LG

Predicting Out-of-Distribution Generalization of Neural Operators via Observable Spectral Error Decomposition

Neural operators have emerged as powerful surrogates for solving partial differential equations (PDEs), yet their reliability under distribution shift remains a critical barrier to deployment. Existing approaches to out-of-distribution (OOD) generalization in operator learning are largely empirical and black-box: they report aggregate error metrics without explaining why errors arise or when they will grow. We propose a structure-preserving framework that makes OOD generalization predictable and auditable. Our key idea is to parameterize the learned solution operator as a spectral filter

h_θ(λ)

acting on the eigenvalues of the underlying elliptic operator, implemented via Chebyshev polynomial expansions and trained with a weak-form objective. This parameterization admits an exact decomposition of the energy-norm error into two observable components: a model-dependent spectral approximation term and a distribution-dependent spectral weighting term induced by the input. From this decomposition we derive three diagnostics: a conservative in-band supremum

\vareps_{\mathrm{sup}}

, a global RMS proxy

\vareps_{\mathrm{rms}}

, and a sample-dependent effective metric

\vareps_{\mathrm{eff}}(f)

. These diagnostics can be computed without access to ground-truth solutions. Through four controlled experiments, we show that

\vareps_{\mathrm{eff}}(f)\|f\|

consistently predicts energy error under in-distribution, in-band spectral shift, out-of-band tail, and compound shifts, whereas global metrics can be systematically misleading. Our framework shifts OOD assessment of neural operators from black-box benchmarking to operator-structure diagnostics, providing a practical route to auditable scientific machine learning.

Hang-Cheng Dong, Pengcheng Cheng

School of Instrumentation Science and Engineering, Harbin Institute of Technology, Harbin 150001, China · School of Mathematics, Jilin University, Changchun 130012, China

OOD Generalization PDE Operator Learning Neural Operators

Sep 16, 2026cs.CV

CSWAM: Better Causal Semantic Representations for Out-of-Distribution Generalization in World Action Models

FastWAM-style world action models enable efficient action-only inference, but generalize poorly under visual distribution shifts. Their reconstruction-oriented representations emphasize appearance-specific details, limiting generalization to unseen scenes and objects. Without observation history, the model also lacks temporal evidence for robustly identifying task-relevant state changes and motion in unfamiliar visual conditions. To address these limitations, we present the Causal Semantic World Action Model (CSWAM), which augments FastWAM with a causal semantic expert built on V-JEPA 2.1. V-JEPA provides temporally grounded representations of semantic state changes and motion with less dependence on appearance-specific details. The expert learns their future evolution from a sparse history of current and past observations and shares the history-derived context with both the video and action streams through causal attention. At inference, CSWAM conditions action denoising on the current video state and observed semantic history, retaining efficient action-only inference. We conduct simulation and real-robot experiments to evaluate generalization under distribution shifts. With embodied pretraining, CSWAM raises Randomized success on RoboTwin 2.0 Clean-to-Randomized transfer from 10.16% to 45.18%, a gain of 35.02 percentage points over FastWAM. Across two real-robot tasks and three OOD difficulty levels, CSWAM improves average success over FastWAM by 42.5 percentage points, from 27.5% to 70.0%.

Tianbin Liu, Jian Zhu, Taiyi Su +5

AIRC, Midea Group · Tongji University

Causal Representation Learning World Models for Robotics OOD Generalization World Action Models

Sep 15, 2026cs.AI

Sample-Conditioned Representation Selection for Audio Few-Shot Learning

Few-shot audio classifiers may rely on foreground-background co-occurrences and fail when those correlations shift. On SpurAudio, the resulting representation shift is concentrated and class dependent: for ResNet12, the top 10 percent of channels explain 82.80 percent of the null-corrected shift contribution. We propose SAMPLESELECT, which predicts a fixed-budget feature mask independently for each input while keeping the encoder and source classifier frozen. Training uses differentiable Gumbel Top-k selection with foreground classification and cross-background contrastive losses; inference uses deterministic Top-k masks and support-only linear adaptation. Across ResNet12 and Conv64 in 5-way 1-shot and 5-shot evaluation, SAMPLESELECT gives the best OOD accuracy among the compared methods and improves the matched full-representation control by 4.90-8.38 percentage points. Ablations and representation analyses further support the learned selection mechanism. Code is available at https://github.com/Cross-Innovation-Lab/SAMPLESELECT/

Fengrui Liu, Ningxin Shen, Yi Li +3

National Key Laboratory of Space Integrated Information System, Institute of Software, Chinese Academy of Sciences · School of Computer Science, Nanjing University · School of Computer Science and Technology, East China Normal University +1

Few-Shot Audio Classification Audio Representation Learning OOD Generalization Feature Selection Audio Classification

Sep 15, 2026cs.CV

Beyond In-Distribution Metrics: A Systematic Out-of-Distribution Evaluation of Congenital Heart Disease Segmentation

Congenital heart disease (CHD) diagnosis and surgical planning often require patient-specific 3D anatomical models, but manual segmentation is labor-intensive, particularly in complex anatomies. Although deep-learning methods can automate this process, they are typically evaluated in-distribution, despite clinically relevant shifts in scanner, protocol, institution, population, and imaging modality. We present, to our knowledge, the first systematic evaluation of out-of-distribution (OOD) generalization in CHD segmentation, using ImageCHD as a held-out target cohort. We compare representative segmentation architectures under combined CT and CMR training, CT-only training, self-supervised pretraining, and limited target-domain adaptation. In-distribution performance proves to be a poor indicator of cross-cohort robustness: nnU-Net achieves the highest validation Dice (0.77) but falls to 0.51 on ImageCHD, while SwinUNETR generalizes substantially better, reaching 0.67 Dice. MAE and JEPA pretraining provide only modest additional benefit, suggesting that architecture contributes more to robustness than the tested pretraining strategies in this setting. When limited target-domain supervision is introduced, all SwinUNETR variants exceed 0.76 Dice with only 11 labeled ImageCHD cases. These findings demonstrate that conventional in-distribution evaluation can obscure clinically important generalization failures and support explicit cross-dataset testing as a key component of CHD segmentation evaluation.

Aniketh Vijesh, Shrisharanyan Vasu, Abhijit Ramesh +5

Amrita Vishwa Vidyapeetham, India · Amrita Institute of Medical Sciences and Research Centre, Amrita Vishwa Vidyapeetham, Kochi, Kerala, India

Domain Adaptation OOD Generalization Medical Image Segmentation

Sep 10, 2026cs.CL

Distance generalization in transformers: why bother with positional encoding?

Out-of-distribution length generalization, namely to extrapolate a task from short to longer context, has been studied intensively for transformers. Here we focus on distance generalization, which probes performance when inter-token distances are changed between training and inference, while keeping a fixed context length. We construct two synthetic delay copy tasks, both involving finite distances between source and recall, where tokens are copied either fully or selectively, and test models on delays unseen during training. We address three questions: (A) Do positional encoding schemes such as RoPE and ALiBi improve distance resolution relative to no positional encoding (NoPE)? (B) How does data diversity, the number of inter-token distances seen in training, affect performance? (C) When is distance transfer learning positive or negative? We present a thorough investigation, finding that it is paramount to improve our understanding of the underlying mechanisms.

Daniel Henrik Nevermann, Claudius Gros

Institute for Theoretical Physics, Goethe University Frankfurt, Germany

OOD Generalization Positional Encoding Transfer Learning