OOD Generalization

Out-of-distribution (OoD) generalization occurs when representation learning encounters a distribution shift. This occurs frequently in practice when training and testing data come from different environments. Covariate shift is a type of distribution shift that occurs only in the input data, while the concept distribution stays invariant. We propose RIA - Regularization for Invariance with Adversarial training, a new method for OoD generalization under convariate shift. Motivated by an analogy to $Q$-learning, it performs an adversarial exploration for counterfactual data environments. These new environments are induced by adversarial label invariant data augmentations that prevent a collapse to an in-distribution trained learner. It works with many existing OoD generalization methods for covariate shift that can be formulated as constrained optimization problems. We develop an alternating gradient descent-ascent algorithm to solve the problem in the context of causally generated graph data, and perform extensive experiments on OoD graph classification for various kinds of synthetic and natural distribution shifts. We demonstrate that our method can achieve high accuracy compared with OoD baselines.

Reliable generalization metrics are fundamental to the evaluation of machine learning models. Especially in high-stakes applications where labeled target data are scarce, evaluation of models' generalization performance under distribution shift is a pressing need. We focus on two practical scenarios: (1) Before deployment, how to select the best model for unlabeled target data? (2) After deployment, how to monitor model performance under distribution shift? The central need in both cases is a reliable and label-free proxy metric. Yet existing proxy metrics, such as model confidence or accuracy-on-the-line, are often unreliable as they only assess model output while ignoring the internal mechanisms that produce them. We address this limitation by introducing a new perspective: using the inner workings of a model, i.e., circuits, as a predictive metric of generalization performance. Leveraging circuit discovery, we extract the causal interactions between internal representations as a circuit, from which we derive two metrics tailored to the two practical scenarios. (1) Before deployment, we introduce Dependency Depth Bias, which measures different models' generalization capability on target data. (2) After deployment, we propose Circuit Shift Score, which predicts a model's generalization under different distribution shifts. Across various tasks, both metrics demonstrate significantly improved correlation with generalization performance, outperforming existing proxies by an average of 13.4% and 34.1%, respectively. Our code is available at https://github.com/deep-real/GenCircuit.

Nonstationarity is ubiquitous in practical classification settings, leading deployed models to perform poorly even when they generalize well to holdout sets available at training time. We address this by reframing nonstationary classification as time series prediction: rather than predicting from the current input alone, we condition the classifier on a sequence of historical labeled examples that extends beyond the training cutoff. To scale to large sequences, we introduce a learned discrete retrieval mechanism that samples relevant historical examples via input-dependent queries, trained end-to-end with the classifier using a score-based gradient estimator. This enables the full corpus of historical data to remain on an arbitrary filesystem during training and deployment. Experiments on synthetic benchmarks and Amazon Reviews '23 (electronics category) show improved robustness to distribution shift compared to standard classifiers, with VRAM scaling predictably as the length of the historical data sequence increases.

Regional climate information at kilometer scales is essential for assessing the impacts of climate change, but generating it with global climate models is too expensive due to their high computational costs. Machine learning models offer a fast alternative, yet they often violate basic physical laws and degrade when applied to climates outside of their training distribution. We present Physics-Constrained Adaptive Flow Matching (PC-AFM), a generative downscaling model that addresses both problems. Building on the Adaptive Flow Matching (AFM) model of Fotiadis et al. (2025) as our baseline, we add soft conservation constraints that keep the downscaled output consistent with the large-scale input for precipitation and humidity, and use gradient surgery via the ConFIG algorithm to prevent these constraints from interfering with the generative objective. We train the model on Central Europe climate data, evaluate it on a 10-time downscaling task (63km to 6.3km) over six variables (near-surface temperature, precipitation, specific humidity, surface pressure, and horizontal wind components) across a comprehensive set of metrics including bias, ensemble skill scores, power spectra, and conservation error, and test the generalization on two held-out climate regions. Within the training distribution, PC-AFM reduces conservation errors and improves ensemble calibration while matching the baseline on standard skill metrics. Outside the training distribution, where unconstrained models develop large systematic errors by extrapolating learned statistics, PC-AFM halves precipitation wet bias, reduces conservation error and improves extreme-quantile accuracy, all without any information about the target climate at inference time. These results indicate that physical consistency is a practical requirement for deploying generative downscaling models in real-world applications.

We study out of distribution generalization in streaming tasks where models are trained on short sequences but must operate over much longer, unknown horizons under bounded memory. Our focus is on a persistent fast slow recurrent formulation in which a latent state is maintained across observations rather than reset at each stream step. For each incoming observation, the model performs multiple weight-shared latent updates with a recurrent core and then carries the resulting state forward to the next observation. This allows the model to maintain and refine a compact stream-level state without reprocessing a growing context. We evaluate this formulation across symbolic sequence prediction, supervised navigation, and partially observable reinforcement learning tasks. Across these settings, persistent latent recurrence improves OOD generalization over recurrent, state-space, and Transformer baselines. Through recurrent-core ablations, we identify architectural ingredients that are consistently associated with strong OOD performance, including state-dependent transitions and feature-wise nonlinear mixing. Together, these results highlight the value of revisiting persistent recurrence as an architectural bias for more generalizable sequence prediction.

AI weather prediction has advanced rapidly, yet no unified mathematical framework explains what determines forecast skill. Existing theory addresses specific architectural choices rather than the learning pipeline as a whole, while operational evidence from 2023-2026 demonstrates that training methodology, loss function design, and data diversity matter at least as much as architecture selection. This paper makes two interleaved contributions. Theoretically, we construct a framework rooted in approximation theory on the sphere, dynamical systems theory, information theory, and statistical learning theory that treats the complete learning pipeline (architecture, loss function, training strategy, data distribution) rather than architecture alone. We establish a Learning Pipeline Error Decomposition showing that estimation error (loss- and data-dependent) dominates approximation error (architecture-dependent) at current scales. We develop a Loss Function Spectral Theory formalizing MSE-induced spectral blurring in spherical harmonic coordinates, and derive Out-of-Distribution Extrapolation Bounds proving that data-driven models systematically underestimate record-breaking extremes with bias growing linearly in record exceedance. Empirically, we validate these predictions via inference across ten architecturally diverse AI weather models using NVIDIA Earth2Studio with ERA5 initial conditions, evaluating six metrics across 30 initialization dates spanning all seasons. Results confirm universal spectral energy loss at high wavenumbers for MSE-trained models, rising Error Consensus Ratios showing that the majority of forecast error is shared across architectures, and linear negative bias during extreme events. A Holistic Model Assessment Score provides unified multi-dimensional evaluation, and a prescriptive framework enables mathematical evaluation of proposed pipelines before training.

The modern deep learning field is a scale-centric one. Larger models have been shown to consistently perform better than smaller models of similar architecture. In many sub-domains of biomedical research, however, the model scaling is bottlenecked by the amount of available training data, and the high cost associated with generating and validating additional high quality data. Despite the practical hurdle, the majority of the ongoing research still focuses on building bigger foundation models, whereas the alternative of improving the ability of small models has been under-explored. Here we experiment with building models with 10-30M parameters, tiny by modern standards, to perform the single-cell segmentation task. An important design choice is the incorporation of a recursive structure into the model's forward computation graph, leading to a more parameter-efficient architecture. We found that for the single-cell segmentation, on multiple benchmarks, our small model, UCell, matches the performance of models 10-20 times its size, and with a similar generalizability to unseen out-of-domain data. More importantly, we found that ucell can be trained from scratch using only a set of microscopy imaging data, without relying on massive pretraining on natural images, and therefore decouples the model building from any external commercial interests. Finally, we examined and confirmed the adaptability of ucell by performing a wide range of one-shot and few-shot fine tuning experiments on a diverse set of small datasets. Implementation is available at https://github.com/jiyuuchc/ucell

We train a 318M-parameter Transformer language model from scratch on a curated corpus of 1.56 billion tokens of pure Classical Chinese, with zero English characters or Arabic numerals. Through systematic out-of-distribution (OOD) testing, we ask whether the model distinguishes known from unknown inputs, and whether it expresses that distinction in its generated text. We find a clear dissociation between internal and external uncertainty. Internally, the model exhibits a perplexity jump ratio of 2.39x between real and fabricated historical events (p = 8.9e-11, n = 92 per group), with semi-fabricated events (real figures + fictional actions) showing the highest perplexity (4.24x, p = 1.1e-16), demonstrating genuine factual encoding beyond syntactic pattern matching. Externally, however, the model never learns to express uncertainty: classical Chinese epistemic markers appear at lower rates for OOD questions (3.5%) than in-distribution ones (8.3%, p = 0.023), reflecting rhetorical conventions in the training data rather than genuine metacognition. We test both findings across three languages (Classical Chinese, English, Japanese), three writing systems, and eight models from 110M to 1.56B. The internal factual-encoding effect replicates in six of the eight models, emerging with scale (the two smallest Japanese models do not yet separate real from fabricated history), while the external absence of uncertainty expression holds across all eight. We further show that uncertainty expression frequency is determined entirely by training data conventions -- not epistemic states -- with Classical Chinese models showing a "humility paradox" (more hedging for known topics), while Japanese models almost never hedge. We argue that metacognitive expression -- the ability to say "I don't know" -- does not emerge from language modeling alone and requires explicit training signals such as RLHF.

Few-shot object detection (FSOD) is challenging due to unstable optimization and limited generalization arising from the scarcity of training samples. To address these issues, we propose a hybrid ensemble decoder that enhances generalization during fine-tuning. Inspired by ensemble learning, the decoder comprises a shared hierarchical layer followed by multiple parallel decoder branches, where each branch employs denoising queries either inherited from the shared layer or newly initialized to encourage prediction diversity. This design fully exploits pretrained weights without introducing additional parameters, and the resulting diverse predictions can be effectively ensembled to improve generalization. We further leverage a unified progressive fine-tuning framework with a plateau-aware learning rate schedule, which stabilizes optimization and achieves strong few-shot adaptation without complex data augmentations or extensive hyperparameter tuning. Extensive experiments on CD-FSOD, ODinW-13, and RF100-VL validate the effectiveness of our approach. Notably, on RF100-VL, which includes 100 datasets across diverse domains, our method achieves an average performance of 41.9 in the 10-shot setting, significantly outperforming the recent approach SAM3, which obtains 35.7. We further construct a mixed-domain test set from CD-FSOD to evaluate robustness to out-of-distribution (OOD) samples, showing that our proposed modules lead to clear improvement gains. These results highlight the effectiveness, generalization, and robustness of the proposed method. Code is available at: https://github.com/Intellindust-AI-Lab/FT-FSOD.

In this paper, we introduce GhostWriteBench, a dataset for LLM authorship attribution. It comprises long-form texts (50K+ words per book) generated by frontier LLMs, and is designed to test generalisation across multiple out-of-distribution (OOD) dimensions, including domain and unseen LLM author. We also propose TRACE -- a novel fingerprinting method that is interpretable and lightweight -- that works for both open- and closed-source models. TRACE creates the fingerprint by capturing token-level transition patterns (e.g., word rank) estimated by another lightweight language model. Experiments on GhostWriteBench demonstrate that TRACE achieves state-of-the-art performance, remains robust in OOD settings, and works well in limited training data scenarios.

Fine-tuning approaches for Vision-Language Models (VLMs) face a critical three-way trade-off between In-Distribution (ID) accuracy, Out-of-Distribution (OOD) generalization, and adversarial robustness. Existing robust fine-tuning strategies resolve at most two axes of this trade-off. Generalization-preserving methods retain ID/OOD performance but leave models vulnerable to adversarial attacks, while adversarial training improves robustness to targeted attacks but degrades ID/OOD accuracy. Our key insight is that the robustness trade-off stems from two geometric failures: sharp, anisotropic minima in parameter space and unstable feature representations that deform under perturbation. To address this, we propose GRACE (Gram-aligned Robustness via Adaptive Curvature Estimation), a unified fine-tuning framework that jointly regularizes the parameter-space curvature and feature-space invariance for VLMs. Grounded in Robust PAC-Bayes theory, GRACE employs adaptive weight perturbations scaled by local curvature to promote flatter minima, combined with a feature alignment loss that maintains representation consistency across clean, adversarial, and OOD inputs. On ImageNet fine-tuning of CLIP models, GRACE simultaneously improves ID accuracy by 10.8%, and adversarial accuracy by 13.5% while maintaining 57.0% OOD accuracy (vs. 57.4% zero-shot baseline). Geometric analysis confirms that GRACE converges to flatter minima without feature distortion across distribution shifts, providing a principled step toward generalized robustness in foundation VLMs.

Arithmetic benchmarks are often reduced to a single held-out score, but that score can conflate qualitatively different failures. We study a controlled minimal GPT trained on exhaustive 2-digit addition, where all local digit transitions are already present in training, and ask why 3-digit generalization still fails. The failure is staged. First, there is a layout barrier: a learned absolute-position model collapses under a pure 3-digit layout shift, and mixed-layout exposure is the only intervention that materially weakens this barrier. Second, after layout repair, the hundreds position behaves like a carry flag rather than a semantic hundreds digit; targeted carry probes reverse the relevant logit margin, whereas a matched extra-data control does not. Third, after carry repair, the main remaining bottleneck is conditional recomposition: high-conditioned tail data outperforms a matched control, high-only data, and tail-only data on all true-3-digit suites, and the same ordering reappears in a larger 2-layer bridge experiment. The residual errors after recomposition are then overwhelmingly tens-only, and a separate 10-seed late-stage study shows that a sign-aware tens repair raises exact match on the hardest thousands-carry suite from 0.664 to 0.822. We therefore provide an experimentally testable decomposition of arithmetic OOD failure into layout, carry-semantics, recomposition, and late tens-residual stages.

Multimodal Large Language Models (MLLMs) have shown strong performance on Video Temporal Grounding (VTG). However, their coarse recognition capabilities are insufficient for fine-grained temporal understanding, making task-specific fine-tuning indispensable. This fine-tuning causes models to memorize dataset-specific shortcuts rather than faithfully grounding in the actual visual content, leading to poor Out-of-Domain (OOD) generalization. Object-centric learning offers a promising remedy by decomposing scenes into entity-level representations, but existing approaches require re-running the entire multi-stage training pipeline from scratch. We propose SlotVTG, a framework that steers MLLMs toward object-centric, input-grounded visual reasoning at minimal cost. SlotVTG introduces a lightweight slot adapter that decomposes visual tokens into abstract slots via slot attention and reconstructs the original sequence, where objectness priors from a self-supervised vision model encourage semantically coherent slot formation. Cross-domain evaluation on standard VTG benchmarks demonstrates that our approach significantly improves OOD robustness while maintaining competitive In-Domain (ID) performance with minimal overhead.

Out-of-Distribution (OOD) generalization has become a primary metric for evaluating image analysis systems. Since deep learning models tend to capture domain-specific context, they often develop shortcut dependencies on these non-causal features, leading to inconsistent performance across different data sources. Current techniques, such as invariance learning, attempt to mitigate this. However, they struggle to isolate highly mixed features within deep latent spaces. This limitation prevents them from fully resolving the shortcut learning problem.In this paper, we propose Hierarchical Causal Dropout (HCD), a method that uses channel-level causal masks to enforce feature sparsity. This approach allows the model to separate causal features from spurious ones, effectively performing a causal intervention at the representation level. The training is guided by a Matrix-based Mutual Information (MMI) objective to minimize the mutual information between latent features and domain labels, while simultaneously maximizing the information shared with class labels.To ensure stability, we incorporate a StyleMix-driven VICReg module, which prevents the masks from accidentally filtering out essential causal data. Experimental results on OOD benchmarks show that HCD performs better than existing top-tier methods.

Graph Neural Networks (GNNs) deliver strong performance on graph tasks, but their accuracy drops significantly under out-of-distribution (OOD) scenarios. Under distribution shifts, GNNs often fit environmental noise and spurious correlations instead of stable causal mechanisms, leading to weak OOD robustness and unstable predictive representations. Existing solutions based on environment invariance or causal reasoning are insufficient for node classification, as they do not explicitly model the fine-grained latent geometry required by the task. We further observe a training instability named Info-Jitter, where the mutual information between predictive representations and ground-truth labels fluctuates throughout training. To address these issues, we construct a node-classification-specific causal graph derived from the task's geometric objective. Using do-calculus to block non-causal paths caused by environmental noise, we derive a deconfounded interventional objective and a variational lower bound to disentangle representations into intra-class and inter-class components. We then propose Causal-Guided Representation Learning (CGRL), a framework with two core modules. First, a multi-branch re-weighted representation learning (RRL) module learns a causal modulation matrix to amplify causal signals and suppress environmental noise during message passing. Second, an optimization strategy combining intra-class aggregation, inter-class separation, energy-based reconstruction and supervised prediction regularizes the latent space for robust node-level generalization. Experiments on multiple benchmark datasets show that CGRL outperforms strong baselines across various distribution shifts and effectively mitigates the Info-Jitter phenomenon.

Vision-Language Models (VLMs) have been applied to a wide range of reasoning tasks, yet it remains unclear whether they can reason robustly under distribution shifts. In this paper, we study covariate shifts in which the perceptual input distribution changes while the underlying prediction rules do not. To investigate this question, we consider visual deductive reasoning tasks, where a model is required to answer a query given an image and logical rules defined over the object concepts in the image. Empirically, we find that VLMs fine-tuned through gradient-based end-to-end training can achieve high in-distribution accuracy but fail to generalize under such shifts, suggesting that fine-tuning does not reliably induce the underlying reasoning function. This motivates a neuro-symbolic perspective that decouples perception from reasoning. However, we further observe that recent neuro-symbolic approaches that rely on black-box components for reasoning can still exhibit inconsistent robustness across tasks. To address this issue, we propose VLC, a neuro-symbolic method that combines VLM-based concept recognition with circuit-based symbolic reasoning. In particular, task rules are compiled into a symbolic program, specifically a circuit, which executes the rules exactly over the object concepts recognized by the VLM. Experiments on three simple visual deductive reasoning tasks with distinct rule sets show that VLC consistently achieves higher task accuracy on out-of-distribution data than other reasoning paradigms. Code is available at https://github.com/uiuctml/VLC.

The accelerating pace of climate change introduces profound non-stationarities that challenge the ability of Machine Learning based climate emulators to generalize beyond their training distributions. While these emulators offer computationally efficient alternatives to traditional Earth System Models, their reliability remains a potential bottleneck under "no-analog" future climate states, which we define here as regimes where external forcing drives the system into conditions outside the empirical range of the historical training data. A fundamental challenge in evaluating this reliability is data contamination; because many models are trained on simulations that already encompass future scenarios, true out-of-distribution (OOD) performance is often masked. To address this, we benchmark the OOD robustness of three state-of-the-art architectures: U-Net, ConvLSTM, and the ClimaX foundation model specifically restricted to a historical-only training regime (1850-2014). We evaluate these models using two complementary strategies: (i) temporal extrapolation to the recent climate (2015-2023) and (ii) cross-scenario forcing shifts across divergent emission pathways. Our analysis within this experimental setup reveals an accuracy vs. stability trade-off: while the ClimaX foundation model achieves the lowest absolute error, it exhibits higher relative performance changes under distribution shifts, with precipitation errors increasing by up to 8.44% under extreme forcing scenarios. These findings suggest that when restricted to historical training dynamics, even high-capacity foundation models are sensitive to external forcing trajectories. Our results underscore the necessity of scenario-aware training and rigorous OOD evaluation protocols to ensure the robustness of climate emulators under a changing climate.

Accurate power flow analysis is critical for modern distribution systems, yet classical solvers face scalability issues, and current machine learning models often struggle with generalization. We introduce BOOST-RPF, a novel method that reformulates voltage prediction from a global graph regression task into a sequential path-based learning problem. By decomposing radial networks into root-to-leaf paths, we leverage gradient-boosted decision trees (XGBoost) to model local voltage-drop regularities. We evaluate three architectural variants: Absolute Voltage, Parent Residual, and Physics-Informed Residual. This approach aligns the model architecture with the recursive physics of power flow, ensuring size-agnostic application and superior out-of-distribution robustness. Benchmarked against the Kerber Dorfnetz grid and the ENGAGE suite, BOOST-RPF achieves state-of-the-art results with its Parent Residual variant which consistently outperforms both analytical and neural baselines in standard accuracy and generalization tasks. While global Multi-Layer Perceptrons (MLPs) and Graph Neural Networks (GNNs) often suffer from performance degradation under topological shifts, BOOST-RPF maintains high precision across unseen feeders. Furthermore, the framework displays linear $O(N)$ computational scaling and significantly increased sample efficiency through per-edge supervision, offering a scalable and generalizable alternative for real-time distribution system operator (DSO) applications.

Distribution-to-distribution generative models support scientific imaging tasks ranging from modeling cellular perturbation responses to translating medical images across conditions. Trustworthy generation requires reliability, or generalization across labs, devices, and experimental conditions, and accountability, or detecting out-of-distribution cases where predictions may be unreliable. We leverage Stochastic Flow Matching (SFM), a marginal-preserving stochastic extension of flow matching for improved generalization under distribution shift. SFM augments deterministic flows with a diffusion term together with a learned score-based drift correction, retaining the learned transport marginals while modeling conditional variability. Building on this SFM framework, we introduce Bayesian Stochastic Flow Matching (BSFM) as a companion uncertainty quantification mechanism and develop AVUQ (Antithetic Variance-reduction Uncertainty Quantification) to approximately estimate epistemic and aleatoric uncertainty via sample-efficient antithetic sampling with approximate posterior inference. We further use AVUQ to yield anomaly scores for unreliable generation detection. Experiments on cellular imaging (BBBC021, JUMP) and brain fMRI (Theory of Mind) across diverse unseen scenarios show that SFM improves generalization while AVUQ provides effective uncertainty-based anomaly scores under practical sampling budgets.

Image deraining plays a pivotal role in low-level computer vision, serving as a prerequisite for robust outdoor surveillance and autonomous driving systems. While deep learning paradigms have achieved remarkable success in firmly aligned settings, they often suffer from severe performance degradation when generalized to unseen Out-of-Distribution (OOD) scenarios. This failure stems primarily from the significant domain discrepancy between synthetic training datasets and the complex physical dynamics of real-world rain. To address these challenges, this paper proposes a pioneering cross-scenario deraining adaptation framework. Diverging from conventional approaches, our method obviates the requirements for paired rainy observations in the target domain, leveraging exclusively rain-free background images. We design a Superpixel Generation (Sup-Gen) module to extract stable structural priors from the source domain using Simple Linear Iterative Clustering. Subsequently, a Resolution-adaptive Fusion strategy is introduced to align these source structures with target backgrounds through texture similarity, ensuring the synthesis of diverse and realistic pseudo-data. Finally, we implement a pseudo-label re-Synthesize mechanism that employs multi-stage noise generation to simulate realistic rain streaks. This framework functions as a versatile plug-and-play module capable of seamless integration into arbitrary deraining architectures. Extensive experiments on state-of-the-art models demonstrate that our approach yields remarkable PSNR gains of up to 32% to 59% in OOD domains while significantly accelerating training convergence.

We investigate the generalization capabilities of In-Context Operator Networks (ICONs), a new class of operator networks that build on the principles of in-context learning, for higher-order partial differential equations. We extend previous work by expanding the type and scope of differential equations handled by the foundation model. We demonstrate that while processing complex inputs requires some new computational methods, the underlying machine learning techniques are largely consistent with simpler cases. Our implementation shows that although point-wise accuracy degrades for higher-order problems like the heat equation, the model retains qualitative accuracy in capturing solution dynamics and overall behavior. This demonstrates the model's ability to extrapolate fundamental solution characteristics to problems outside its training regime.

Diffusion policies excel at visuomotor control but often fail catastrophically under severe out-of-distribution (OOD) disturbances, such as unexpected object displacements or visual corruptions. To address this vulnerability, we introduce the Dream Diffusion Policy (DDP), a framework that deeply integrates a diffusion world model into the policy's training objective via a shared 3D visual encoder. This co-optimization endows the policy with robust state-prediction capabilities. When encountering sudden OOD anomalies during inference, DDP detects the real-imagination discrepancy and actively abandons the corrupted visual stream. Instead, it relies on its internal "imagination" (autoregressively forecasted latent dynamics) to safely bypass the disruption, generating imagined trajectories before smoothly realigning with physical reality. Extensive evaluations demonstrate DDP's exceptional resilience. Notably, DDP achieves a 73.8% OOD success rate on MetaWorld (vs. 23.9% without predictive imagination) and an 83.3% success rate under severe real-world spatial shifts (vs. 3.3% without predictive imagination). Furthermore, as a stress test, DDP maintains a 76.7% real-world success rate even when relying entirely on open-loop imagination post-initialization.

Feature selection is fundamental to robust data-centric AI, but most existing methods optimize predictive performance under a single data distribution. This often selects spurious features that fail under distribution shifts. Motivated by principles from causal invariance, we study feature selection from a stability perspective and introduce Causally-Guided Diffusion for Stable Feature Selection (CGDFS). In CGDFS, we formalized feature selection as approximate posterior inference over feature subsets, whose posterior mass favors low prediction error and low cross-environment variance. Our framework combines three key insights: First, we formulate feature selection as stability-aware posterior sampling. Here, causal invariance serves as a soft inductive bias rather than explicit causal discovery. Second, we train a diffusion model as a learned prior over plausible continuous selection masks, combined with a stability-aware likelihood that rewards invariance across environments. This diffusion prior captures structural dependencies among features and enables scalable exploration of the combinatorially large selection space. Third, we perform guided annealed Langevin sampling that combines the diffusion prior with the stability objective, which yields a tractable, uncertainty-aware posterior inference that avoids discrete optimization and produces robust feature selections. We evaluate CGDFS on open-source real-world datasets exhibiting distribution shifts. Across both classification and regression tasks, CGDFS consistently selects more stable and transferable feature subsets, which leads to improved out-of-distribution performance and greater selection robustness compared to sparsity-based, tree-based, and stability-selection baselines.

Direct Preference Optimization (DPO) guides large language models (LLMs) to generate recommendations aligned with user historical behavior distributions by minimizing preference alignment loss. However, our systematic empirical research and theoretical analysis reveal that DPO tends to amplify spurious correlations caused by environmental confounders during the alignment process, significantly undermining the generalization capability of LLM-based generative recommendation methods in out of distribution (OOD) scenarios. To mitigate this issue, we propose CausalDPO, an extension of DPO that incorporates a causal invariance learning mechanism. This method introduces a backdoor adjustment strategy during the preference alignment phase to eliminate interference from environmental confounders, explicitly models the latent environmental distribution using a soft clustering approach, and enhances robust consistency across diverse environments through invariance constraints. Theoretical analysis demonstrates that CausalDPO can effectively capture users stable preference structures across multiple environments, thereby improving the OOD generalization performance of LLM-based recommendation models. We conduct extensive experiments under four representative distribution shift settings to validate the effectiveness of CausalDPO, achieving an average performance improvement of 17.17% across four evaluation metrics.

Accurate prediction of RNA secondary structure underpins transcriptome annotation, mechanistic analysis of non-coding RNAs, and RNA therapeutic design. Recent gains from deep learning and RNA foundation models are difficult to interpret because current benchmarks may overestimate generalization across RNA families. We present the Comprehensive Hierarchical Annotation of Non-coding RNA Groups (CHANRG), a benchmark of 170{,}083 structurally non-redundant RNAs curated from more than 10 million sequences in Rfam~15.0 using structure-aware deduplication, genome-aware split design and multiscale structural evaluation. Across 29 predictors, foundation-model methods achieved the highest held-out accuracy but lost most of that advantage out of distribution, whereas structured decoders and direct neural predictors remained markedly more robust. This gap persisted after controlling for sequence length and reflected both loss of structural coverage and incorrect higher-order wiring. Together, CHANRG and a padding-free, symmetry-aware evaluation stack provide a stricter and batch-invariant framework for developing RNA structure predictors with demonstrable out-of-distribution robustness.

Scientific machine learning is increasingly used to build surrogate models, yet most models are trained under a restrictive assumption in which future data follow the same distribution as the training set. In practice, new experimental conditions or simulation regimes may differ significantly, requiring extrapolation and model updates without re-access to prior data. This creates a need for continual learning (CL) frameworks that can adapt to distribution shifts while preventing catastrophic forgetting. Such challenges are pronounced in fluid dynamics, where changes in geometry, boundary conditions, or flow regimes induce non-trivial changes to the solution. Here, we introduce a new architecture-based approach (SLE-FNO) combining a Single-Layer Extension (SLE) with the Fourier Neural Operator (FNO) to support efficient CL. SLE-FNO was compared with a range of established CL methods, including Elastic Weight Consolidation (EWC), Learning without Forgetting (LwF), replay-based approaches, Orthogonal Gradient Descent (OGD), Gradient Episodic Memory (GEM), PiggyBack, and Low-Rank Adaptation (LoRA), within a spatial field-to-field regression setting. The models were trained to map transient concentration fields to time-averaged wall shear stress (TAWSS) in pulsatile aneurysmal blood flow. Tasks were derived from 230 computational fluid dynamics simulations grouped into four sequential and out-of-distribution configurations. Results show that replay-based methods and architecture-based approaches (PiggyBack, LoRA, and SLE-FNO) achieve the best retention, with SLE-FNO providing the strongest overall balance between plasticity and stability, achieving accuracy with zero forgetting and minimal additional parameters. Our findings highlight key differences between CL algorithms and introduce SLE-FNO as a promising strategy for adapting baseline models when extrapolation is required.

Deep learning-based online mapping has emerged as a cornerstone of autonomous driving, yet these models frequently fail to generalize beyond familiar environments. We propose a framework to identify and measure the underlying failure modes by disentangling two effects: Memorization of input features and overfitting to known map geometries. We propose measures based on evaluation subsets that control for geographical proximity and geometric similarity between training and validation scenes. We introduce Fréchet distance-based reconstruction statistics that capture per-element shape fidelity without threshold tuning, and define complementary failure-mode scores: a localization overfitting score quantifying the performance drop when geographic cues disappear, and a map geometry overfitting score measuring degradation as scenes become geometrically novel. Beyond models, we analyze dataset biases and contribute map geometry-aware diagnostics: A minimum-spanning-tree (MST) diversity measure for training sets and a symmetric coverage measure to quantify geometric similarity between splits. Leveraging these, we formulate an MST-based sparsification strategy that reduces redundancy and improves balancing and performance while shrinking training size. Experiments on nuScenes and Argoverse 2 across multiple state-of-the-art models yield more trustworthy assessment of generalization and show that map geometry-diverse and balanced training sets lead to improved performance. Our results motivate failure-mode-aware protocols and map geometry-centric dataset design for deployable online mapping.

Generalized 3D hand-object pose estimation from a single RGB image remains challenging due to the large variations in object appearances and interaction patterns, especially under heavy occlusion. We propose GenHOI, a framework for generalized hand-object pose estimation with occlusion awareness. GenHOI integrates hierarchical semantic knowledge with hand priors to enhance model generalization under challenging occlusion conditions. Specifically, we introduce a hierarchical semantic prompt that encodes object states, hand configurations, and interaction patterns via textual descriptions. This enables the model to learn abstract high-level representations of hand-object interactions for generalization to unseen objects and novel interactions while compensating for missing or ambiguous visual cues. To enable robust occlusion reasoning, we adopt a multi-modal masked modeling strategy over RGB images, predicted point clouds, and textual descriptions. Moreover, we leverage hand priors as stable spatial references to extract implicit interaction constraints. This allows reliable pose inference even under significant variations in object shapes and interaction patterns. Extensive experiments on the challenging DexYCB and HO3Dv2 benchmarks demonstrate that our method achieves state-of-the-art performance in hand-object pose estimation.

Flow Matching (FM) has recently emerged as a leading approach for high-fidelity visual generation, offering a robust continuous-time alternative to ordinary differential equation (ODE) based models. However, despite their success, FM models are highly sensitive to dataset biases, which cause severe semantic degradation when generating out-of-distribution or minority-class samples. In this paper, we provide a rigorous mathematical formalization of the ``Bias Manifold'' within the FM framework. We identify that this performance drop is driven by conditional expectation smoothing, a mechanism that inevitably leads to trajectory lock-in during inference. To resolve this, we introduce InjectFlow, a novel, training-free method by injecting orthogonal semantics during the initial velocity field computation, without requiring any changes to the random seeds. This design effectively prevents the latent drift toward majority modes while maintaining high generative quality. Extensive experiments demonstrate the effectiveness of our approach. Notably, on the GenEval dataset, InjectFlow successfully fixes 75% of the prompts that standard flow matching models fail to generate correctly. Ultimately, our theoretical analysis and algorithm provide a ready-to-use solution for building more fair and robust visual foundation models.

Deep unrolled models (DUM) have become the state-of-the-art for accelerated MRI reconstruction, yet their robustness under domain shift remains a critical barrier to clinical adoption. In this work, we identify coil sensitivity map (CSM) estimation as the primary bottleneck limiting generalization. To address this, we propose UEPS, a novel DUM architecture featuring three key designs: (i) an Unrolled Expanded (UE) design that eliminates CSM dependency by reconstructing each coil independently; (ii) progressive resolution, which leverages k-space-to-image mapping for efficient coarse-to-fine refinement; and (iii) sparse attention tailored to MRI's 1D undersampling nature. These physics-grounded designs enable gains in robustness and computational efficiency. We construct a large-scale zero-shot transfer benchmark comprising 10 out-of-distribution (OOD) test sets spanning diverse clinical shifts, anatomy, view, contrast, vendor, field strength, and coil configurations. Extensive experiments demonstrate that UEPS consistently and substantially outperforms existing DUM, end-to-end, diffusion, and untrained methods across all OOD tests, achieving state-of-the-art robustness with low-latency inference suitable for real-time deployment.