OOD Generalization

Visual anomaly detection (AD) for industrial inspection is a highly relevant task in modern production environments. The problem becomes particularly challenging when training and deployment data differ due to changes in acquisition conditions during production. In the VAND 4.0 Industrial Track, models must remain robust under distribution shifts such as varying illumination and their performance is assessed on the MVTec AD 2 dataset. To address this setting, we propose a training-free and class-agnostic anomaly detection pipeline based on the work of SuperAD. Our approach improves generalization through several modifications designed to enhance robustness under distribution shifts. These adaptations include using a DINOv3 backbone, overlapping patch-wise processing, intensity-based augmentations, improved memory-bank subsampling for better coverage of the data distribution, and iterative morphological closing for cleaner and more spatially consistent anomaly maps. Unlike methods that rely on class-specific architectures or per-class hyperparameter tuning, our method uses a single architecture and one shared hyperparameter configuration across all object classes. This makes the approach well suited for industrial deployment, where product variants and appearance changes must be handled with minimal adaptation effort. We achieve segmentation F1 scores of $62.61\%$, $57.42\%$, and $54.35\%$ on test public, private, and private mixed of MVTec AD 2 respectively, thereby outperforming SuperAD and other state-of-the-art methods. Code is available at https://github.com/LukasRoom/SuperADD.

Recent work has promoted task-aware layer pruning as a way to improve model performance on particular tasks, as shown by TALE. In this paper, we investigate when such improvements occur and why. We show first that, across controlled polynomial regression tasks and large language models, such pruning yields no benefit on in-distribution (ID) data but consistently improves out-of-distribution (OOD) accuracy. We further show empirically that OOD inputs induce layerwise norm and pairwise-distance profiles that deviate from the corresponding ID profiles. This leads to a geometric explanation of task-aware pruning: each task induces a task-adapted geometry, characterized empirically by the representation profiles observed on ID inputs. OOD inputs can introduce a distorted version of the task-adapted geometry. Task-aware pruning identifies layers that create or amplify this distortion; by removing them, it shifts OOD representational norms and pairwise distances toward those observed on the adapted distribution. This realigns OOD inputs with the model's task-adapted geometry and improves performance. We provide causal evidence through controlled distribution shifts and residual-scaling interventions, and demonstrate consistent behavior across model scales.

Open datasets and benchmarks for entity-level carbon-emission prediction remain fragmented across access, scale, granularity, and evaluation. We introduce GHGbench, an open dataset and benchmark for company- and building-level greenhouse-gas prediction. The company track contains 32,000+ company-year records from 12,000+ firms with Scope 1+2 and Scope 3 disclosures and financial/sectoral signals; the building track harmonises 491,591 building-year records from 13 open sources into a single schema across 26 metropolitan areas (10 U.S., 15 Australian, 1 Singaporean), with climate covariates and multimodal remote-sensing embeddings. GHGbench defines canonical splits with in-distribution and cross-region/city transfer as primary tasks and temporal hold-out plus short-horizon forecasting as supplementary appendix evidence; headline baselines span gradient-boosted trees, a tabular foundation model, MLP, FT-Transformer, and multimodal fusion, with an LLM panel as auxiliary, all evaluated under multi-seed paired-bootstrap tests. Three benchmark-level findings emerge: (i) building emissions are structurally harder than company emissions; (ii) the in-distribution to out-of-distribution gap dwarfs any within-model gap across both the company track and the building track, and a tabular foundation model is, to our knowledge, the first baseline to open a paired-bootstrap-significant gap over tuned trees on a multi-city building-emissions task; (iii) multimodal remote-sensing embeddings help precisely where tabular generalisation breaks. GHGbench also exposes catastrophic city transfer and the sector-factor lookup ceiling as systematic failure modes. Code and reconstruction recipes are available at GHGbench.

Molecular property prediction under severe out-of-distribution (OOD) shifts remains challenging because conventional scaffold splits can retain local structural similarity between training and test molecules, while adaptation from heterogeneous source domains may cause negative transfer. We introduce SCOPE-Bench, a scaffold-cluster benchmark constructed by partitioning Bemis-Murcko scaffolds in an explicit physicochemical descriptor space, and POMA, a retrieve-compose-adapt framework for source-domain selection when target property labels are unavailable. POMA uses unlabeled target structures to retrieve labeled source scaffolds as proxy targets. A policy is trained from reductions in proxy-task mean absolute error after adaptation, and the selected source subset is then used for target adaptation with covariance alignment at the whole-molecule and BRICS-derived substructure levels. We evaluate HOMO, LUMO, and HOMO-LUMO gap prediction on QM9 using three 3D molecular backbones and 15 target-scaffold tasks. Relative to conventional scaffold splitting, prediction errors on SCOPE-Bench increase by up to 8.0-fold, with a mean increase of 5.9-fold. Relative to the supervised baseline under the strict OOD split, POMA reduces mean absolute error by up to 11.2%, with an average relative reduction of 6.2% over the nine backbone-property combinations. These results support adaptive source selection as a useful strategy for molecular prediction under strong structural distribution shifts.

Recent advancements in large language models demonstrate that injecting perturbations can substantially enhance extrapolation performance. However, current approaches often rely on discrete perturbations with fixed designs, which limits their flexibility. In this work, we propose a framework where token prefixes are perturbed by a learnable transformation of a continuous latent vector within an embedding space. To overcome the challenge of an intractable marginal likelihood, we derive unbiased estimating equations for model parameters and optimize them via stochastic gradient descent. We establish the statistical properties of the resulting estimator in over-parameterized regimes. Empirical evaluations on both synthetic and real-world datasets demonstrate that our proposal yields significant gains in out-of-domain settings over a range of state-of-the-art baseline methods.

Efficient transfer learning methods for large-scale vision-language models ($e.g.$, CLIP) enable strong few-shot transfer, yet existing adaptation methods follow a fixed fine-tuning paradigm that implicitly assumes a uniform importance of the image and text branches, which has not been systematically studied in image classification. Through extensive analysis, we reveal a Branch Bias issue in vision-language image classification: adapting the image encoder does not always improve performance under out-of-distribution settings. Motivated by this observation, we propose A$_3$B$_2$, an Adaptive Asymmetric Adapter that alleviates Branch Bias in few-shot learning. A$_3$B$_2$ introduces Uncertainty-Aware Adapter Dampening (UAAD), which automatically suppresses image-branch adaptation when prediction uncertainty is high, enabling soft and data-driven control without manual intervention. Architecturally, A$_3$B$_2$ adopts a lightweight asymmetric design inspired by mixture-of-experts with Load Balancing Regularization. Extensive experiments on three few-shot image classification tasks across 11 datasets demonstrate that A$_3$B$_2$ consistently outperforms 11 competitive prompt- and adapter-based baselines.

Neural operators learn to map initial conditions to the terminal solution of partial differential equations (PDEs), providing a surrogate for the full operator mapping. This enables rapid prediction across different input configurations. While recent neural operator architectures have demonstrated strong performance on diverse PDE tasks, their behavior under structured distribution shifts remains insufficiently understood. To investigate this, we study operator learning in a wave propagation setting governed by a one-dimensional variable-coefficient wave equation, using two representative architectures, the Fourier Neural Operator (FNO) and the Deep Operator Network (DeepONet). To examine their generalization under distribution shifts, we consider structured out-of-distribution (OOD) settings that independently vary input frequency and coefficient smoothness. The results show that under smoothness shifts, both models maintain stable performance, with FNO achieving lower error. In contrast, under frequency shifts, FNO exhibits a sharp increase in error under unseen high-frequency inputs, whereas DeepONet shows milder degradation despite higher overall error. Our analysis reveals that these differences arise from how each architecture represents and responds to variations in frequency structure. Together, these findings highlight a fundamental gap between strong in-distribution performance and generalization under distribution shifts in operator learning, underscoring the role of architectural representation bias in developing more reliable neural operators for physics-based PDE simulations beyond the training distribution.

Shortcut features are often invoked to explain out-of-distribution (OOD) failure, but training correlation, learned shortcut use, and test-time failure need not coincide. We study a minimal binary model with one invariant coordinate and one family-dependent shortcut coordinate. In the deterministic regime, positive average shortcut correlation pulls logistic ERM toward positive shortcut weight, but ridge regularization keeps the classifier invariant-dominated and prevents deterministic OOD failure. When the invariant coordinate is noisy, ridge-logistic ERM switches to the shortcut rule once the training shortcut signal exceeds the invariant signal. Whether that transition causes failure depends on the held-out family: weaker shortcut correlation yields positive excess risk, and sign-flipped families yield above-chance error. Synthetic checks match these analytic regimes and show that the same training-side transition can have different held-out consequences. The model separates shortcut attraction, shortcut-rule transition, and cross-family OOD failure.

Dataset Distillation (DD) synthesizes a compact synthetic dataset that preserves the training utility of a full dataset. However, its standard formulation assumes that test data follow the same distribution as training data, an assumption that rarely holds in practice. A straightforward extension-applying post-hoc Domain Generalization (DG) techniques to distilled data-is ill-suited because existing DG methods rely on the natural diversity of real datasets, which compact synthetic sets inherently lack, while also incurring substantial augmentation overhead that conflicts with the efficiency objective of dataset distillation. To address this limitation, we introduce Domain Generalizable Dataset Distillation (DGDD), a new problem setting that explicitly targets out-of-distribution (OOD) generalization of distilled datasets. We study this problem through a widely adopted DD baseline of Distribution Matching (DM). We attribute the OOD vulnerability of DM to the entanglement of class-discriminative and domain-specific information within the compressed synthetic set, and propose Spectral Gradient Surgery (SGS) to disentangle the two. The key insight of SGS is that cross-domain agreement among domain-wise gradients in the spectral domain reveals which gradient components are shared across source domains-and are therefore class-discriminative-and which are domain-specific. Based on this observation, SGS augments the standard DM update with two complementary gradients: one that reinforces cross-domain shared components and another that explicitly promotes diversity within the distilled dataset. Extensive experiments on diverse-scale benchmarks demonstrate that SGS substantially improves OOD generalization while remaining plug-and-play compatible with existing DM methods.

Building generalist embodied agents capable of solving complex real-world tasks remains a fundamental challenge in AI. Multimodal Large Language Models (MLLMs) have significantly advanced the reasoning capabilities of such agents through strong vision-language knowledge and chain-of-thought (CoT) reasoning, yet remain brittle when faced with challenging out-of-distribution scenarios. To address this, we propose Verifier-Guided Action Selection (VegAS), a test-time framework designed to improve the robustness of MLLM-based embodied agents through an explicit verification step. At inference time, rather than committing to a single decoded action, VeGAS samples an ensemble of candidate actions and uses a generative verifier to identify the most reliable choice, without modifying the underlying policy. Crucially, we find that using an MLLM off-the-shelf as a verifier yields no improvement, motivating our LLM-driven data synthesis strategy, which automatically constructs a diverse curriculum of failure cases to expose the verifier to a rich distribution of potential errors at training time. Across embodied reasoning benchmarks spanning the Habitat and ALFRED environments, VeGAS consistently improves generalization, achieving up to a 36% relative performance gain over strong CoT baselines on the most challenging multi-object, long-horizon tasks.

Prediction of wildfire occurrence is a rare-event problem compounded by spatial heterogeneity and temporal distribution shift, as fire occurrences are vastly outnumbered by non-occurrences, and predictor--fire relationship varies across space and time. Models trained on historical fire data may perform poorly under new conditions and require adaptation to the target distribution before operational use. We propose PyroAdapt, a pretrain--retrieve--rank framework that adapts a pretrained model to target conditions by retrieving historical locations with similar conditions and fine-tuning on the retrievals through risk ranking. For spatial adaptation, we condition risk on terrain, ecoregion embeddings, and fire rates, accounting for spatial context in the retrieval, and learn risk ordering from same-day fire--nonfire cell pairs. We compare direct ranking, residual pairwise DPO (RDPO), and selective ranking through a unified score-gap formulation that characterizes their gradient allocation. Over California (discretized into 666 0.25x0.25 grid cells), these objectives raise daily average precision from 21.62% for continued focal fine-tuning to 24.35--24.57%, and Top5% recall from 18.70% to 22.11--22.79%. Under a fixed daily detection budget of 34 cells (5% area), selective ranking captures 344 additional positive cell--days. For fires in the top 5%/10%/20% of dry matter consumption, selective ranking raises recall by 39.70/28.18/20.50 percentage points, respectively. Furthermore, rolling evaluations over Yosemite show that the gains from ranking persist under temporal distribution shift. Together, these results show that PyroAdapt prioritizes the most fire-prone locations under a daily budget constraint and detects more extreme fire events.

Task-agnostic structure proxies are often used to interpret why one pretraining corpus transfers better than another, but such explanations require the proxy to track the structure that matters for the downstream task. We test this requirement in a fixed pretraining-and-probing setup motivated by computationally bounded notions of learned structure, including epiplexity. The core question is whether a proxy ranking of two pretraining datasets must agree with their ranking by OOD probe accuracy. We show that it need not. First, we give a controlled construction in which a formal structure quantity, its operational proxy, and the task-relevant structure for a target family separate. We then instantiate the same mechanism in a synthetic sequence-model experiment: under the primary all-sample evaluation, the OOD accuracy ranking reverses the proxy ranking in two of three seeds, with auxiliary diagnostics and ablations supporting the same interpretation. The counterexample does not reject structure-based explanations in general; it identifies a boundary on strong proxy-based explanations. A proxy for total learned structure can fail to track the task-relevant structure that drives OOD performance, even in a controlled setting.

Offline black-box optimization aims to discover novel designs with high property scores using only a static dataset, a task fundamentally challenged by the out-of-distribution (OOD) extrapolation problem. Existing approaches typically bifurcate into inverse methods, which struggle with the ill-posed nature of mapping scores to designs, and forward methods, which often lack the distributional expressivity to quantify uncertainty effectively. In this work, we propose SPADE (Support-Proximity Augmented Diffusion Estimation), a novel framework that reimagines forward surrogate modeling through the lens of conditional generative modeling. SPADE models the forward likelihood p(y|x) using a diffusion model, but with two critical enhancements to tailor it for optimization: (1) a Calibrated Diffusion Estimation module that enforces global consistency in statistical moments and pairwise rankings, and (2) a Support-Proximity Regularization mechanism that implicitly internalizes the data manifold constraint p(x) via kNN-based density estimation. Theoretically, we prove that our regularization is first-order equivalent to maximizing a Bayesian posterior with a valid design prior. Empirically, SPADE achieves state-of-the-art performance across Design-Bench tasks and an LLM data mixture optimization benchmark.

Despite the burgeoning body of work on distribution shifts, provenance shift-where the relationship between data source and label changes at deployment-remains poorly understood and under-addressed. In this paper, we establish a formal connection between provenance shift, counterfactual invariance, and invariant learning to derive a learning objective for robustness. We then introduce \textsc{DeconDTN-Toolkit}, a specialized evaluation and remediation suite designed to simulate provenance shifts of varying degrees while maintaining the training protocol and the infrastructure of existing benchmarks. We reveal the vulnerability of Empirical Risk Minimization under provenance shift, introduce a robust out-of-distribution performance indicator, and conduct a comprehensive evaluation on existing algorithms. Our work provides both the theoretical grounding and the practical tools necessary to characterize the problem of confounding by provenance, and implementations of methods to mitigate it.

Large-scale pretraining has made Vision-Language-Action (VLA) models promising foundations for generalist robot manipulation, yet adapting them to downstream tasks remains necessary. However, the common practice of full fine-tuning treats pretraining as initialization and can shift broad priors toward narrow training-distribution patterns. We propose PriorVLA, a novel framework that preserves pretrained priors and learns to leverage them for effective adaptation. PriorVLA keeps a frozen Prior Expert as a read-only prior source and trains an Adaptation Expert for downstream specialization. Expert Queries capture scene priors from the pretrained VLM and motor priors from the Prior Expert, integrating both into the Adaptation Expert to guide adaptation. Together, PriorVLA updates only 25% of the parameters updated by full fine-tuning. Across RoboTwin 2.0, LIBERO, and real-world tasks, PriorVLA achieves stronger overall performance than full fine-tuning and state-of-the-art VLA baselines, with the largest gains under out-of-distribution (OOD) and few-shot settings. PriorVLA improves over pi0.5 by 11 points on RoboTwin 2.0-Hard and achieves 99.1% average success on LIBERO. Across eight real-world tasks and two embodiments, PriorVLA reaches 81% in-distribution (ID) and 57% OOD success with standard data. With only 10 demonstrations per task, PriorVLA reaches 48% ID and 32% OOD success, surpassing pi0.5 by 24 and 22 points, respectively.

Deep learning models in medical imaging often fail when deployed in new clinical environments due to distribution shifts in demographics, scanner hardware, or acquisition protocols. A central challenge is underspecification, where models with similar validation performance exhibit divergent real-world failure modes. Although stress testing has emerged as a tool to assess this, current methods typically rely on simple, uninformed perturbations (e.g., brightness or contrast changes), which fail to capture clinically realistic variation and can overestimate robustness. In this work, we introduce a counterfactual stress testing framework based on causal generative models that create realistic "what if" images by intervening on attributes such as scanner type and patient sex while preserving anatomical identity, enabling controlled and semantically meaningful evaluation under targeted distribution shifts. Across two imaging modalities (chest X-ray and mammography), three model architectures, and multiple shift scenarios, we show that counterfactual stress tests provide a substantially more accurate proxy for real out-of-distribution performance than classical perturbations, capturing the direction and relative magnitude of performance changes as well as model ranking. These results suggest that causal generative models can serve as practical simulators for robustness assessment, offering a more reliable basis for evaluating medical AI systems prior to deployment.

Molecular Graph Neural Networks (GNNs) are increasingly common in drug discovery, particularly for Quantitative Structure-Activity Relationship (QSAR) studies; yet, their superiority compared to classical molecular featurisation approaches is disputed. We report a general strategy for improving GNNs for QSAR by pre-training to predict Extended-Connectivity Fingerprints (ECFP). We validate our approach with statistical tests and challenging out-of-distribution (OOD) splits. Across five out of six Biogen benchmarks, we observed a statistically significant improvement in standard performance metrics over all evaluated baselines when using ECFP pre-trained GNNs. However, for more heterogeneous datasets and more complex endpoints, such as binding affinity prediction, pre-trained GNNs underperformed in OOD settings. Importantly, we investigated the impact of substructure-level data leakage during pre-training on downstream performance. While we identified scenarios where pre-training on ECFPs was less effective, our findings show that ECFP-based pre-training can enhance downstream OOD performance on a diverse set of practically relevant QSAR tasks.

Atomic properties such as partial charges or multipoles encode chemically meaningful information that can inform downstream molecular property prediction, but their evaluation as machine learning targets has been complicated by the absence of a principled out-of-distribution evaluation protocol at the atomic level. In this work, we propose a held-out evaluation protocol that clusters atomic environments by SOAP descriptors and computes metrics accounting only for cluster labels unseen during training. Following this procedure, we use 5$\times$5 cross-validation and Tukey's HSD to run a statistically rigorous comparison of E(3)-equivariant against non-equivariant, rotationally augmented models for predicting electron populations and multipoles of H, C, N, and O atoms. Building on our results, we introduce the Quantum Topological Neural Network (QT-Net), a rotationally augmented, non-equivariant graph neural network. We show that QT-Net can be used to infer properties of atoms in molecules from QM9 outside our training set, and that these inferred properties can yield improvement when used as input features for downstream molecular property prediction. To further validate the framework, molecular dipole moments computed from QT-Net's per-atom outputs recover the ground-truth values reported in QM9. We release all code and data, including a JAX implementation of QT-Net, to support the broader use of learned QTA properties as inductive biases for atomic-scale molecular machine learning.

Machine learning-based simulators offer the potential to model the dynamics of complex systems more efficiently than classical approaches, while retaining differentiability, a key property for materials design. Graph neural network (GNN)-based simulators have shown strong performance across a range of physical domains, including molecular dynamics. However, their reliance on temporal context for accurate prediction limits their use in inverse design settings, where simulations must be initialized from a single static configuration. Moreover, inverse design requires robust out-of-distribution (OOD) generalization, as candidate structures typically lie outside the training domain. Here, we address both challenges by introducing two complementary strategies that enable stable and accurate structure-only initialization of GNN-based simulations. To directly target OOD generalization, we propose an inference-time physics-based optimization framework that constrains model predictions to remain physically consistent during rollout. In addition, we introduce a differentiable, GNN-based barostat that enables accurate tracking of system dimensions and pressure, critical for capturing macroscopic responses and supporting OOD generalization. We evaluate these approaches in the context of uniaxial compression of disordered elastic networks spanning a broad range of geometries, Poisson ratios, and microscopic behaviors. We find that, together, these methods substantially improve rollout stability and enable reliable OOD generalization, including regimes with distinct, more complex dynamics than those in the training data. These results show that, when properly initialized and constrained, GNN-based simulators can serve as efficient and generalizable tools for materials discovery and structural optimization, advancing their use in materials, molecular, and dynamical system design.

It is becoming increasingly necessary to have monitors check for harmful behaviors during language model interactions, but text-only monitoring has not been sufficient. This is because models sometimes exhibit strategic deception and sandbagging, changing their behavior during evaluation. This motivates the use of white-box monitors like linear probes, which can read the model internals directly. Currently, such probes can fail under distribution shift, limiting their usefulness in real settings. We study whether there exists a low-dimensional subspace of the model internals that captures harmful behaviors more robustly, while leaving out spuriously correlative features. Inspired by the Assistant Axis and Persona Selection Model, we construct persona axes for deception and sycophancy using contrastive persona prompts. The first principal components, obtained by unsupervised PCA of the persona-specific vectors, cleanly separate harmful and harmless personas. Across 10 evaluation datasets, we show that persona-derived directions transfer non-trivially and probes trained on persona-PC projections generalize better than probes trained on raw activations. We also find that a unified axis consisting of multiple harmful and harmless behaviors improves generalization across behaviors and datasets. Overall, persona vectors provide a useful inductive bias for building more transferable behavior probes.

Supervised Fine-Tuning (SFT) is widely used for task-specific adaptation, yet recent work shows it systematically undermines reasoning generalization. We argue the root cause is not memorization itself, but its target: vanilla SFT drives models to exploit and memorize spurious surface correlations in problem-solution pairs, leaving them brittle to superficial input variations. To address this, we propose Theorem-SFT, which reorients supervision toward explicit theorem application by teaching models how rules are invoked rather than what answers look like. Theorem-SFT yields consistent gains across benchmarks and model families: +8.8% on MATH (LLaMA3.2-3B-Instruct) and +20.27% on GeoQA (Qwen2.5-VL-7B-Instruct) without modality-specific re-training. Fine-tuning MLP layers alone matches full-layers performance, implicating feed-forward components as the primary locus of reasoning rules. Our findings reframe the debate: Generalization failures stem not from memorization as a mechanism, but from memorizing the wrong inductive targets.

Machine Learning Interatomic Potentials play a fundamental role in computational chemistry and materials science, enabling applications from molecular dynamics simulations to drug design and materials discovery. While recent approaches can estimate inter-atomic forces with high precision, it remains unclear to what extent they can generalise to previously unseen molecules. Do they learn the compositional structure of chemistry, capturing how molecular fragments and their combinations determine properties, or do they primarily learn to interpolate patterns that are specific to the training examples? To address this question, we propose a benchmark consisting of four tasks that require some form of compositional generalisation. In each task, models are tested on molecules that were unseen during training, but the training data is chosen such that generalisation to the test examples should be feasible for models that learn the underlying physical principles. Our empirical analysis shows that the considered tasks are highly challenging for state-of-the-art models, with errors on out-of-distribution examples often an order of magnitude higher than on in-distribution examples, even when using foundation models that have been pre-trained on millions of molecules.

Action-conditioned world models (ACWMs) have shown strong promise for video prediction and decision-making. However, existing benchmarks are largely restricted to egocentric navigation or narrow, task-specific robotics datasets, offering only limited coverage of the rich physical interactions required for generalized world understanding. We introduce ACWM-Phys, a new benchmark for evaluating action-conditioned prediction under diverse physical dynamics in a clean, controllable simulation environment with a carefully designed action space. ACWM-Phys contains training and evaluation data spanning rigid-body dynamics, kinematics, deformable-object interactions, and particle dynamics. To evaluate both interpolation and generalization, we design in-distribution and out-of-distribution protocols with controlled shifts in interaction patterns or scene configurations. By building the benchmark in a fully controllable simulator, ACWM-Phys enables precise data collection, reproducible evaluation, and systematic analysis of model capabilities for physically grounded world modeling. Through systematic experiments on ACWM-DiT, we find that OoD generalization depends not only on the physical regime but also on effective task complexity: models generalize well on visually simple, low-dimensional interactions with clear geometric structure, but suffer larger drops on deformable contacts, high-dimensional control, and complex articulated motion. This suggests that the model still relies heavily on visual appearance patterns instead of fully learning the underlying physics. Ablations show that cross-attention improves high-dimensional action conditioning, causal VAEs outperform frame-wise encoders, and larger action spaces are harder to model but can improve generalization by providing richer control signals. These findings guide the design of physically grounded world models.

Supervised fine-tuning (SFT) improves in-domain performance but can degrade out-of-domain (OOD) generalization. Prior work suggests that this degradation is related to changes in dominant singular subspaces of pretrained weight matrices. However, directly identifying loss-sensitive directions with Hessian or Fisher information is computationally expensive at LLM scale. In this work, we propose preserving projected rotations in pretrained singular subspaces as an efficient proxy for Fisher-sensitive directions, which we call Rotation-Preserving Supervised Fine-Tuning (RPSFT). RPSFT penalizes changes in the projected top-$k$ singular-vector block of each pretrained weight matrix, limiting unnecessary rotation while preserving task adaptation. Across model families and sizes trained on math reasoning data, RPSFT improves the in-domain/OOD trade-off over standard SFT and strong SFT baselines, better preserves pretrained representations, and provides stronger initializations for downstream RL fine-tuning. Code is available at https://github.com/jinhangzhan/RPSFT.

We introduce a meshfree exterior calculus (MEEC) for learning structure-preserving descriptions of physics on point clouds, and use it to build MEEC-Net, a data-efficient surrogate that transfers across resolutions, geometries, and physical parameters. MEEC equips an $\varepsilon$-ball graph with virtual node and edge measures via a single sparse Schur complement solve; the resulting complex satisfies discrete conservation exactly, is end-to-end differentiable in the point positions, and exposes a direct geometry-to-physics link without the mesh-generation step required by conventional structure-preserving discretizations. MEEC-Net learns unknown physics as a shared edge-wise flux law in an SO($d$)-invariant local frame, so the same kernel produces compatible fluxes on any point cloud whose features lie in the training range. We prove a solution-error bound that splits into discretization and kernel-approximation terms which is independent of problem geometry, explaining the observed transfer from very few examples. We show that single-solution training transfers to unseen geometries, boundary conditions, and physical parameters. On five canonical PDE benchmarks MEEC-Net achieves 1-2 orders of magnitude lower out-of-distribution error than baseline neural-operator approaches. On the SimJEB structural-bracket benchmark it achieves competitive error while using substantially fewer training geometries.

This paper presents CircleID, a large-scale ICDAR 2026 competition on writer identification and pen classification from scanned hand-drawn circles. The primary objective is to investigate how biometric writer characteristics and physical pen features naturally entangle within minimal, static traces. CircleID comprises two distinct tasks: (1) open-set writer identification, requiring models to recognize known writers while explicitly rejecting unknown ones, and (2) cross-writer pen classification, evaluated across both seen and unseen writers. Participants were provided with a new, controlled dataset of 46,155 tightly cropped circle images, digitized at 400 DPI and annotated for writer identity and pen type. The dataset comprises samples from 44 known and 22 unknown writers using eight different pens. Hosted on Kaggle as two separate tracks with public and private leaderboards, the competition provided participants with a ResNet baseline. In total, 389 teams (436 participants) made 3,185 submissions for the pen classification task, and 113 teams (141 participants) made 1,737 submissions for the writer identification track. The best-performing private leaderboard submissions achieved a Top-1 accuracy of 64.801% for writer identification and 92.726% for pen classification. This paper details the dataset, evaluates the winning methodologies, and analyzes the impact of out-of-distribution writers on model generalization and feature disentanglement. In this large-scale competition, CircleID establishes a new baseline for minimal-trace analysis.

Extrapolation to out-of-distribution conditions is a fundamental challenge for physics-constrained deep generative models. Existing methods apply physical constraints as a single static regularization term uniformly across the generation process, and address neither the hierarchical structure of physical laws and the confounding variable problem. We propose the Deconfounded Hierarchical Gate (DHG), which serves as a diagnostic and control mechanism: it identifies when and how strongly temperature confounding contaminates each constraint level, so that hierarchical gates reflect intrinsic physical inconsistency rather than spurious temperature effects. DHG combines counterfactual estimation via the do-operator with backdoor adjustment to remove confounding, then applies Coarse-to-Fine physical constraints progressively. We report a counter-intuitive finding in pretraining: excluding the target-domain data from pretraining outperforms including it by 39% in extrapolation performance (RMSE 0.224 vs. 0.324). This occurs because FNO learns domain-agnostic physical patterns that transfer more effectively when the target domain is withheld. On a lithium-ion battery temperature extrapolation benchmark (trained at 24 degrees Celsius, evaluated at 4.0--43.0 degrees Celsius), our method achieves RMSE = 0.215, a 46% improvement over the unconstrained baseline (Pure CFM: 0.397).

Successful deep neural networks discover salient features of data. We show when and why they fail to learn out-of-distribution (OOD)-relevant representations from an in-distribution (ID) training window. This requires decoupling feature learning from data-generating-process (DGP) identifiability. From a single training window, OOD extrapolation is non-identifiable: infinitely many DGPs are $\varepsilon$-observationally equivalent on the training data but diverge arbitrarily outside it, and no in-distribution criterion alone reliably breaks the tie. A structural commitment, the feature map, label map, and model class $(\varphi, ψ, \mathcal{M})$, dictates the assumed DGP and governs OOD generalization while leaving ID performance essentially unchanged. When architecture, pretraining, augmentation, input formats, or domain knowledge implicitly inject the missing commitment, the model succeeds. When it cannot infer OOD-relevant structure from ID evidence, it fails. Changing only the representation can make the same architecture, at the same in-distribution loss, differ by ${\sim}520\times$ out of distribution. When the commitment is correct and identifiable, OOD error vanishes. For example, Fourier coordinates turn periodic extrapolation into interpolation on $\mathbb{S}^1$. The same mechanism predicts outcomes in three natural-science settings (mass-action chemistry; Kepler's-third-law exoplanet prediction, $n=2{,}362$; and cross-species coding-DNA detection) and in a 264-run positional-encoding study across Transformer, Mamba, and S4D. Finally, a controlled study shows: correct features are necessary but not sufficient. The model class must express the target, and the transformed training data must cover the relevant representation space.

A fundamental challenge in model-based offline reinforcement learning (RL) lies in the trade-off between generalization and robustness against exploitation errors in out-of-distribution (OOD) regions. While OOD samples may capture valid underlying physical dynamics, they also introduce the risk of model exploitation. Existing methods typically address this risk through excessive pessimistic regularization, which ensures robustness but often sacrifices generalization. To overcome this limitation, we propose Posterior Sampling-based Policy Optimization (PSPO), which formulates dynamics modeling as a Bayesian inference process to derive a posterior that explicitly quantifies model fidelity. Through the integration of posterior sampling and constrained policy optimization, our method leverages dynamics-consistent OOD transitions for generalization while ensuring robustness against model exploitation. Theoretically, we formulate Q-value estimation under posterior sampling as a stochastic approximation problem and establish its convergence. We decompose policy optimization into a sequence of constrained subproblems, demonstrating that solving these subproblems guarantees monotonic improvement until convergence. Experiments on standard benchmarks validate that PSPO achieves superior performance compared to state-of-the-art baselines.

Mobile devices face diverse resource constraints and non-IID data class distributions, requiring fast on-device inference for local in-distribution (ID) classes and on-demand remote support for client-specific out-of-distribution (OOD) classes. Hybrid split federated learning (Hybrid SFL) couples personalized client-side front ends (supporting early exit) with a generalized server-side backend for fallback inference, balancing accuracy and cost. However, under client architectural heterogeneity, the existing hybrid SFL suffers from representation skew, where features from customized extractors fail to align in the shared space, leading to a sharp degradation in the server model responsible for OOD prediction. We propose HARMONY, the first hybrid SFL framework to support heterogeneous client architectures. HARMONY modifies meta-learning to simulate diverse extractors across parameters and architectures, and to learn to personalize. To mitigate representation skew, HARMONY conducts server-side contrastive learning to align extracted features, neither sacrificing clients' personalization nor sharing raw labels. Compared to the state of the art across multiple datasets and model families, HARMONY improves test accuracy by up to 43.0%/28.3% without/with OOD, respectively, while maintaining acceptable latency.