Daily Papers

Graph Neural Networks (GNNs) have become vital in applications like document classification in citation networks, epidemic forecasting, viral marketing, user recommendation in social networks, and network monitoring. However, their deployment faces three key challenges: feature oversmoothing in deep architectures, poor handling of heterogeneous relationships, and monolithic feature aggregation. To address these, we introduce AxelGNN, a novel architecture based on Axelrod's cultural dissemination model that incorporates three key innovations: (1) similarity-gated interactions that adaptively promote convergence or divergence based on feature similarity, (2) segment-wise feature copying that enables fine-grained aggregation of semantic feature groups rather than monolithic vectors, and (3) global polarization that maintains multiple distinct representation clusters to prevent oversmoothing. This model demonstrates empirically the capability to handle both homophilic and heterophilic graphs within a single architecture, without requiring specialized model selection based on graph characteristics. Our experiments demonstrate that AxelGNN achieves competitive or superior performance compared to existing methods in node classification and influence estimation while maintaining computational efficiency.

When a large feedforward neural network is trained on a small training set, it typically performs poorly on held-out test data. This "overfitting" is greatly reduced by randomly omitting half of the feature detectors on each training case. This prevents complex co-adaptations in which a feature detector is only helpful in the context of several other specific feature detectors. Instead, each neuron learns to detect a feature that is generally helpful for producing the correct answer given the combinatorially large variety of internal contexts in which it must operate. Random "dropout" gives big improvements on many benchmark tasks and sets new records for speech and object recognition.

Label Smoothing (LS) is widely adopted to curb overconfidence in neural network predictions and enhance generalization. However, previous research shows that LS can force feature representations into excessively tight clusters, eroding intra-class distinctions. More recent findings suggest that LS also induces overconfidence in misclassifications, yet the precise mechanism remained unclear. In this work, we decompose the loss term introduced by LS, revealing two key components: (i) a regularization term that functions only when the prediction is correct, and (ii) an error-enhancement term that emerges under misclassifications. This latter term compels the model to reinforce incorrect predictions with exaggerated certainty, further collapsing the feature space. To address these issues, we propose Max Suppression (MaxSup), which uniformly applies the intended regularization to both correct and incorrect predictions by penalizing the top-1 logit instead of the ground-truth logit. Through feature analyses, we show that MaxSup restores intra-class variation and sharpens inter-class boundaries. Extensive experiments on image classification and downstream tasks confirm that MaxSup is a more robust alternative to LS. Code is available at: https://github.com/ZhouYuxuanYX/Maximum-Suppression-Regularization.

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG), which significantly enhances the OOD performance of WiSE-FT.

Recent results indicate that the generic descriptors extracted from the convolutional neural networks are very powerful. This paper adds to the mounting evidence that this is indeed the case. We report on a series of experiments conducted for different recognition tasks using the publicly available code and model of the \overfeat network which was trained to perform object classification on ILSVRC13. We use features extracted from the \overfeat network as a generic image representation to tackle the diverse range of recognition tasks of object image classification, scene recognition, fine grained recognition, attribute detection and image retrieval applied to a diverse set of datasets. We selected these tasks and datasets as they gradually move further away from the original task and data the \overfeat network was trained to solve. Astonishingly, we report consistent superior results compared to the highly tuned state-of-the-art systems in all the visual classification tasks on various datasets. For instance retrieval it consistently outperforms low memory footprint methods except for sculptures dataset. The results are achieved using a linear SVM classifier (or L2 distance in case of retrieval) applied to a feature representation of size 4096 extracted from a layer in the net. The representations are further modified using simple augmentation techniques e.g. jittering. The results strongly suggest that features obtained from deep learning with convolutional nets should be the primary candidate in most visual recognition tasks.

Feature shaping refers to a family of methods that exhibit state-of-the-art performance for out-of-distribution (OOD) detection. These approaches manipulate the feature representation, typically from the penultimate layer of a pre-trained deep learning model, so as to better differentiate between in-distribution (ID) and OOD samples. However, existing feature-shaping methods usually employ rules manually designed for specific model architectures and OOD datasets, which consequently limit their generalization ability. To address this gap, we first formulate an abstract optimization framework for studying feature-shaping methods. We then propose a concrete reduction of the framework with a simple piecewise constant shaping function and show that existing feature-shaping methods approximate the optimal solution to the concrete optimization problem. Further, assuming that OOD data is inaccessible, we propose a formulation that yields a closed-form solution for the piecewise constant shaping function, utilizing solely the ID data. Through extensive experiments, we show that the feature-shaping function optimized by our method improves the generalization ability of OOD detection across a large variety of datasets and model architectures.

Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple institutions to study weak but relevant associations between images and disease outcomes. Such data often manifest shift/imbalance in covariates (i.e., secondary non-imaging data). Controlling for such nuisance variables is common within standard statistical analysis, but the ideas do not directly apply to overparameterized models. Consequently, recent work has shown how strategies from invariant representation learning provides a meaningful starting point, but the current repertoire of methods is limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how this style of formulation offers a unified perspective on at least 5+ distinct problem settings, from self-supervised learning to matching problems in 3D reconstruction.

In our era of enormous neural networks, empirical progress has been driven by the philosophy that more is better. Recent deep learning practice has found repeatedly that larger model size, more data, and more computation (resulting in lower training loss) improves performance. In this paper, we give theoretical backing to these empirical observations by showing that these three properties hold in random feature (RF) regression, a class of models equivalent to shallow networks with only the last layer trained. Concretely, we first show that the test risk of RF regression decreases monotonically with both the number of features and the number of samples, provided the ridge penalty is tuned optimally. In particular, this implies that infinite width RF architectures are preferable to those of any finite width. We then proceed to demonstrate that, for a large class of tasks characterized by powerlaw eigenstructure, training to near-zero training loss is obligatory: near-optimal performance can only be achieved when the training error is much smaller than the test error. Grounding our theory in real-world data, we find empirically that standard computer vision tasks with convolutional neural tangent kernels clearly fall into this class. Taken together, our results tell a simple, testable story of the benefits of overparameterization, overfitting, and more data in random feature models.

Supervised learning can be viewed as distilling relevant information from input data into feature representations. This process becomes difficult when supervision is noisy as the distilled information might not be relevant. In fact, recent research shows that networks can easily overfit all labels including those that are corrupted, and hence can hardly generalize to clean datasets. In this paper, we focus on the problem of learning with noisy labels and introduce compression inductive bias to network architectures to alleviate this over-fitting problem. More precisely, we revisit one classical regularization named Dropout and its variant Nested Dropout. Dropout can serve as a compression constraint for its feature dropping mechanism, while Nested Dropout further learns ordered feature representations w.r.t. feature importance. Moreover, the trained models with compression regularization are further combined with Co-teaching for performance boost. Theoretically, we conduct bias-variance decomposition of the objective function under compression regularization. We analyze it for both single model and Co-teaching. This decomposition provides three insights: (i) it shows that over-fitting is indeed an issue for learning with noisy labels; (ii) through an information bottleneck formulation, it explains why the proposed feature compression helps in combating label noise; (iii) it gives explanations on the performance boost brought by incorporating compression regularization into Co-teaching. Experiments show that our simple approach can have comparable or even better performance than the state-of-the-art methods on benchmarks with real-world label noise including Clothing1M and ANIMAL-10N. Our implementation is available at https://yingyichen-cyy.github.io/CompressFeatNoisyLabels/.

In this work, we study the performance of sub-gradient method (SubGM) on a natural nonconvex and nonsmooth formulation of low-rank matrix recovery with ell_1-loss, where the goal is to recover a low-rank matrix from a limited number of measurements, a subset of which may be grossly corrupted with noise. We study a scenario where the rank of the true solution is unknown and over-estimated instead. The over-estimation of the rank gives rise to an over-parameterized model in which there are more degrees of freedom than needed. Such over-parameterization may lead to overfitting, or adversely affect the performance of the algorithm. We prove that a simple SubGM with small initialization is agnostic to both over-parameterization and noise in the measurements. In particular, we show that small initialization nullifies the effect of over-parameterization on the performance of SubGM, leading to an exponential improvement in its convergence rate. Moreover, we provide the first unifying framework for analyzing the behavior of SubGM under both outlier and Gaussian noise models, showing that SubGM converges to the true solution, even under arbitrarily large and arbitrarily dense noise values, and--perhaps surprisingly--even if the globally optimal solutions do not correspond to the ground truth. At the core of our results is a robust variant of restricted isometry property, called Sign-RIP, which controls the deviation of the sub-differential of the ell_1-loss from that of an ideal, expected loss. As a byproduct of our results, we consider a subclass of robust low-rank matrix recovery with Gaussian measurements, and show that the number of required samples to guarantee the global convergence of SubGM is independent of the over-parameterized rank.

This paper studies the role of over-parametrization in solving non-convex optimization problems. The focus is on the important class of low-rank matrix sensing, where we propose an infinite hierarchy of non-convex problems via the lifting technique and the Burer-Monteiro factorization. This contrasts with the existing over-parametrization technique where the search rank is limited by the dimension of the matrix and it does not allow a rich over-parametrization of an arbitrary degree. We show that although the spurious solutions of the problem remain stationary points through the hierarchy, they will be transformed into strict saddle points (under some technical conditions) and can be escaped via local search methods. This is the first result in the literature showing that over-parametrization creates a negative curvature for escaping spurious solutions. We also derive a bound on how much over-parametrization is requited to enable the elimination of spurious solutions.

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive to information contained at distant nodes. Despite recent methods introduced to mitigate this issue, an understanding of the causes for over-squashing and of possible solutions are lacking. In this theoretical work, we prove that: (i) Neural network width can mitigate over-squashing, but at the cost of making the whole network more sensitive; (ii) Conversely, depth cannot help mitigate over-squashing: increasing the number of layers leads to over-squashing being dominated by vanishing gradients; (iii) The graph topology plays the greatest role, since over-squashing occurs between nodes at high commute (access) time. Our analysis provides a unified framework to study different recent methods introduced to cope with over-squashing and serves as a justification for a class of methods that fall under graph rewiring.

Deep features are a cornerstone of computer vision research, capturing image semantics and enabling the community to solve downstream tasks even in the zero- or few-shot regime. However, these features often lack the spatial resolution to directly perform dense prediction tasks like segmentation and depth prediction because models aggressively pool information over large areas. In this work, we introduce FeatUp, a task- and model-agnostic framework to restore lost spatial information in deep features. We introduce two variants of FeatUp: one that guides features with high-resolution signal in a single forward pass, and one that fits an implicit model to a single image to reconstruct features at any resolution. Both approaches use a multi-view consistency loss with deep analogies to NeRFs. Our features retain their original semantics and can be swapped into existing applications to yield resolution and performance gains even without re-training. We show that FeatUp significantly outperforms other feature upsampling and image super-resolution approaches in class activation map generation, transfer learning for segmentation and depth prediction, and end-to-end training for semantic segmentation.

Breakthroughs in machine learning are rapidly changing science and society, yet our fundamental understanding of this technology has lagged far behind. Indeed, one of the central tenets of the field, the bias-variance trade-off, appears to be at odds with the observed behavior of methods used in the modern machine learning practice. The bias-variance trade-off implies that a model should balance under-fitting and over-fitting: rich enough to express underlying structure in data, simple enough to avoid fitting spurious patterns. However, in the modern practice, very rich models such as neural networks are trained to exactly fit (i.e., interpolate) the data. Classically, such models would be considered over-fit, and yet they often obtain high accuracy on test data. This apparent contradiction has raised questions about the mathematical foundations of machine learning and their relevance to practitioners. In this paper, we reconcile the classical understanding and the modern practice within a unified performance curve. This "double descent" curve subsumes the textbook U-shaped bias-variance trade-off curve by showing how increasing model capacity beyond the point of interpolation results in improved performance. We provide evidence for the existence and ubiquity of double descent for a wide spectrum of models and datasets, and we posit a mechanism for its emergence. This connection between the performance and the structure of machine learning models delineates the limits of classical analyses, and has implications for both the theory and practice of machine learning.

Neural multivariate regression underpins a wide range of domains such as control, robotics, and finance, yet the geometry of its learned representations remains poorly characterized. While neural collapse has been shown to benefit generalization in classification, we find that analogous collapse in regression consistently degrades performance. To explain this contrast, we analyze models through the lens of intrinsic dimension. Across control tasks and synthetic datasets, we estimate the intrinsic dimension of last-layer features (ID_H) and compare it with that of the regression targets (ID_Y). Collapsed models exhibit ID_H < ID_Y, leading to over-compression and poor generalization, whereas non-collapsed models typically maintain ID_H > ID_Y. For the non-collapsed models, performance with respect to ID_H depends on the data quantity and noise levels. From these observations, we identify two regimes (over-compressed and under-compressed) that determine when expanding or reducing feature dimensionality improves performance. Our results provide new geometric insights into neural regression and suggest practical strategies for enhancing generalization.

Out-of-distribution (OOD) detection and segmentation are crucial for deploying machine learning models in safety-critical applications such as autonomous driving and robot-assisted surgery. While prior research has primarily focused on unimodal image data, real-world applications are inherently multimodal, requiring the integration of multiple modalities for improved OOD detection. A key challenge is the lack of supervision signals from unknown data, leading to overconfident predictions on OOD samples. To address this challenge, we propose Feature Mixing, an extremely simple and fast method for multimodal outlier synthesis with theoretical support, which can be further optimized to help the model better distinguish between in-distribution (ID) and OOD data. Feature Mixing is modality-agnostic and applicable to various modality combinations. Additionally, we introduce CARLA-OOD, a novel multimodal dataset for OOD segmentation, featuring synthetic OOD objects across diverse scenes and weather conditions. Extensive experiments on SemanticKITTI, nuScenes, CARLA-OOD datasets, and the MultiOOD benchmark demonstrate that Feature Mixing achieves state-of-the-art performance with a 10 times to 370 times speedup. Our source code and dataset will be available at https://github.com/mona4399/FeatureMixing.

Large language models are pre-trained on ever-growing token budgets under the assumption that better pre-training performance translates to improved downstream models. In this work, we challenge this assumption and show that extended pre-training can make models harder to fine-tune, leading to degraded final performance. We term this phenomenon catastrophic overtraining. For example, the instruction-tuned OLMo-1B model pre-trained on 3T tokens leads to over 2% worse performance on multiple standard LLM benchmarks than its 2.3T token counterpart. Through controlled experiments and theoretical analysis, we show that catastrophic overtraining arises from a systematic increase in the broad sensitivity of pre-trained parameters to modifications, including but not limited to fine-tuning. Our findings call for a critical reassessment of pre-training design that considers the downstream adaptability of the model.

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).

We investigate a failure mode of large language models (LLMs) in which plain-text prompts elicit excessive outputs, a phenomenon we term Overflow. Unlike jailbreaks or prompt injection, Overflow arises under ordinary interaction settings and can lead to elevated serving cost, latency, and cross-user performance degradation, particularly when scaled across many requests. Beyond usability, the stakes are economic and environmental: unnecessary tokens increase per-request cost and energy consumption, compounding into substantial operational spend and carbon footprint at scale. Moreover, Overflow represents a practical vector for compute amplification and service degradation in shared environments. We introduce BenchOverflow, a model-agnostic benchmark of nine plain-text prompting strategies that amplify output volume without adversarial suffixes or policy circumvention. Using a standardized protocol with a fixed budget of 5000 new tokens, we evaluate nine open- and closed-source models and observe pronounced rightward shifts and heavy tails in length distributions. Cap-saturation rates (CSR@1k/3k/5k) and empirical cumulative distribution functions (ECDFs) quantify tail risk; within-prompt variance and cross-model correlations show that Overflow is broadly reproducible yet heterogeneous across families and attack vectors. A lightweight mitigation-a fixed conciseness reminder-attenuates right tails and lowers CSR for all strategies across the majority of models. Our findings position length control as a measurable reliability, cost, and sustainability concern rather than a stylistic quirk. By enabling standardized comparison of length-control robustness across models, BenchOverflow provides a practical basis for selecting deployments that minimize resource waste and operating expense, and for evaluating defenses that curb compute amplification without eroding task performance.

Recently, multimodal contrastive learning (MMCL) approaches, such as CLIP, have achieved a remarkable success in learning representations that are robust against distribution shift and generalize to new domains. Despite the empirical success, the mechanism behind learning such generalizable representations is not understood. In this work, we rigorously analyze this problem and uncover two mechanisms behind MMCL's robustness: intra-class contrasting, which allows the model to learn features with a high variance, and inter-class feature sharing, where annotated details in one class help learning other classes better. Both mechanisms prevent spurious features that are over-represented in the training data to overshadow the generalizable core features. This yields superior zero-shot classification accuracy under distribution shift. Furthermore, we theoretically demonstrate the benefits of using rich captions on robustness and explore the effect of annotating different types of details in the captions. We validate our theoretical findings through experiments, including a well-designed synthetic experiment and an experiment involving training CLIP models on MSCOCO/Conceptual Captions and evaluating them on shifted ImageNets.

We perform an average case analysis of the generalization dynamics of large neural networks trained using gradient descent. We study the practically-relevant "high-dimensional" regime where the number of free parameters in the network is on the order of or even larger than the number of examples in the dataset. Using random matrix theory and exact solutions in linear models, we derive the generalization error and training error dynamics of learning and analyze how they depend on the dimensionality of data and signal to noise ratio of the learning problem. We find that the dynamics of gradient descent learning naturally protect against overtraining and overfitting in large networks. Overtraining is worst at intermediate network sizes, when the effective number of free parameters equals the number of samples, and thus can be reduced by making a network smaller or larger. Additionally, in the high-dimensional regime, low generalization error requires starting with small initial weights. We then turn to non-linear neural networks, and show that making networks very large does not harm their generalization performance. On the contrary, it can in fact reduce overtraining, even without early stopping or regularization of any sort. We identify two novel phenomena underlying this behavior in overcomplete models: first, there is a frozen subspace of the weights in which no learning occurs under gradient descent; and second, the statistical properties of the high-dimensional regime yield better-conditioned input correlations which protect against overtraining. We demonstrate that naive application of worst-case theories such as Rademacher complexity are inaccurate in predicting the generalization performance of deep neural networks, and derive an alternative bound which incorporates the frozen subspace and conditioning effects and qualitatively matches the behavior observed in simulation.

Catastrophic overfitting (CO) presents a significant challenge in single-step adversarial training (AT), manifesting as highly distorted deep neural networks (DNNs) that are vulnerable to multi-step adversarial attacks. However, the underlying factors that lead to the distortion of decision boundaries remain unclear. In this work, we delve into the specific changes within different DNN layers and discover that during CO, the former layers are more susceptible, experiencing earlier and greater distortion, while the latter layers show relative insensitivity. Our analysis further reveals that this increased sensitivity in former layers stems from the formation of pseudo-robust shortcuts, which alone can impeccably defend against single-step adversarial attacks but bypass genuine-robust learning, resulting in distorted decision boundaries. Eliminating these shortcuts can partially restore robustness in DNNs from the CO state, thereby verifying that dependence on them triggers the occurrence of CO. This understanding motivates us to implement adaptive weight perturbations across different layers to hinder the generation of pseudo-robust shortcuts, consequently mitigating CO. Extensive experiments demonstrate that our proposed method, Layer-Aware Adversarial Weight Perturbation (LAP), can effectively prevent CO and further enhance robustness.

Machine learning models that are overfitted/overtrained are more vulnerable to knowledge leakage, which poses a risk to privacy. Suppose we download or receive a model from a third-party collaborator without knowing its training accuracy. How can we determine if it has been overfitted or overtrained on its training data? It's possible that the model was intentionally over-trained to make it vulnerable during testing. While an overfitted or overtrained model may perform well on testing data and even some generalization tests, we can't be sure it's not over-fitted. Conducting a comprehensive generalization test is also expensive. The goal of this paper is to address these issues and ensure the privacy and generalization of our method using only testing data. To achieve this, we analyze the null space in the last layer of neural networks, which enables us to quantify overfitting without access to training data or knowledge of the accuracy of those data. We evaluated our approach on various architectures and datasets and observed a distinct pattern in the angle of null space when models are overfitted. Furthermore, we show that models with poor generalization exhibit specific characteristics in this space. Our work represents the first attempt to quantify overfitting without access to training data or knowing any knowledge about the training samples.

Understanding how overparameterized neural networks generalize despite perfect interpolation of noisy training data is a fundamental question. Mallinar et. al. 2022 noted that neural networks seem to often exhibit ``tempered overfitting'', wherein the population risk does not converge to the Bayes optimal error, but neither does it approach infinity, yielding non-trivial generalization. However, this has not been studied rigorously. We provide the first rigorous analysis of the overfitting behavior of regression with minimum norm (ell_2 of weights), focusing on univariate two-layer ReLU networks. We show overfitting is tempered (with high probability) when measured with respect to the L_1 loss, but also show that the situation is more complex than suggested by Mallinar et. al., and overfitting is catastrophic with respect to the L_2 loss, or when taking an expectation over the training set.

Mean Field Variational Inference (MFVI) is widely understood to underestimate posterior variance. By analysing conjugate Bayesian Linear Regression (BLR), we show that this characterization is incomplete: while MFVI underestimates the variance in parameter space, it can overestimate the predictive variance compared to the exact posterior. We show that if the MFVI posterior underestimates predictive variances in some directions, it necessarily overestimates them in others. Crucially, this overestimation occurs in directions where the training data concentrates. This leads to the surprising result that, for a test point drawn from the training distribution, MFVI's expected predictive variance exceeds that of the exact posterior. We demonstrate a pathological case of this effect, where the MFVI posterior fails to reduce predictive variance compared to the prior on in distribution data. We connect these results to the Cold Posterior Effect, arguing that varying the temperature can correct this overestimation, yielding predictions closer to those of the exact posterior. We validate our theory on synthetic and real-world regression tasks.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

Hallucination is often regarded as a major impediment for using large language models (LLMs), especially for knowledge-intensive tasks. Even when the training corpus consists solely of true statements, language models still generate hallucinations in the form of amalgamations of multiple facts. We coin this phenomenon as ``knowledge overshadowing'': when we query knowledge from a language model with multiple conditions, some conditions overshadow others, leading to hallucinated outputs. This phenomenon partially stems from training data imbalance, which we verify on both pretrained models and fine-tuned models, over a wide range of LM model families and sizes.From a theoretical point of view, knowledge overshadowing can be interpreted as over-generalization of the dominant conditions (patterns). We show that the hallucination rate grows with both the imbalance ratio (between the popular and unpopular condition) and the length of dominant condition description, consistent with our derived generalization bound. Finally, we propose to utilize overshadowing conditions as a signal to catch hallucination before it is produced, along with a training-free self-contrastive decoding method to alleviate hallucination during inference. Our proposed approach showcases up to 82% F1 for hallucination anticipation and 11.2% to 39.4% hallucination control, with different models and datasets.

Feature selection is the problem of selecting a subset of features for a machine learning model that maximizes model quality subject to a budget constraint. For neural networks, prior methods, including those based on ell_1 regularization, attention, and other techniques, typically select the entire feature subset in one evaluation round, ignoring the residual value of features during selection, i.e., the marginal contribution of a feature given that other features have already been selected. We propose a feature selection algorithm called Sequential Attention that achieves state-of-the-art empirical results for neural networks. This algorithm is based on an efficient one-pass implementation of greedy forward selection and uses attention weights at each step as a proxy for feature importance. We give theoretical insights into our algorithm for linear regression by showing that an adaptation to this setting is equivalent to the classical Orthogonal Matching Pursuit (OMP) algorithm, and thus inherits all of its provable guarantees. Our theoretical and empirical analyses offer new explanations towards the effectiveness of attention and its connections to overparameterization, which may be of independent interest.

We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.

We study estimation and clustering in Gaussian mixture models under variance misspecification. Observations are generated with true variance σ^2, while the component means are estimated using a likelihood with variance τ^2, yielding a family of mismatched likelihood functions parameterized by the ratio ρ=τ/σ. We show that the interplay between ρ and the signal-to-noise ratio (SNR) induces a sharp phase diagram. Under correct specification (ρ=1), maximum likelihood recovers the true means, independently of the SNR. However, once the model is misspecified, two different regimes emerge. Under under-smoothing (ρ<1), the estimated Gaussian means are displaced from the truth, and in low SNR this discrepancy grows as the SNR decreases: for every fixed ρ<1, the squared error scales as SNR^{-1}. Under over-smoothing (ρ>1), the fitted likelihood blurs the cluster separation, causing distinct component means to collapse towards the overall mixture center once ρ^2 exceeds a threshold of the form 1 + λ,SNR, where λ depends on the geometry of the true means. We further show that the hard assignment objective arises as the limit τto 0 of the same mismatched likelihood family, and derive corresponding low- and high-SNR results for hard-assignment mean estimation and latent-label recovery. Furthermore, in low SNR, Bayes-optimal clustering is close to random guessing, and the hard-assignment target remains far from the true means. These results show that in low-SNR applications, even mild variance misspecification or hard-assignment procedures can induce substantial bias, whereas in high SNR these effects are largely absent.

We study grokking, the onset of generalization long after overfitting, in a classical ridge regression setting. We prove end-to-end grokking results for learning over-parameterized linear regression models using gradient descent with weight decay. Specifically, we prove that the following stages occur: (i) the model overfits the training data early during training; (ii) poor generalization persists long after overfitting has manifested; and (iii) the generalization error eventually becomes arbitrarily small. Moreover, we show, both theoretically and empirically, that grokking can be amplified or eliminated in a principled manner through proper hyperparameter tuning. To the best of our knowledge, these are the first rigorous quantitative bounds on the generalization delay (which we refer to as the "grokking time") in terms of training hyperparameters. Lastly, going beyond the linear setting, we empirically demonstrate that our quantitative bounds also capture the behavior of grokking on non-linear neural networks. Our results suggest that grokking is not an inherent failure mode of deep learning, but rather a consequence of specific training conditions, and thus does not require fundamental changes to the model architecture or learning algorithm to avoid.

Out-of-distribution (OOD) detection aims to identify test examples that do not belong to the training distribution and are thus unlikely to be predicted reliably. Despite a plethora of existing works, most of them focused only on the scenario where OOD examples come from semantic shift (e.g., unseen categories), ignoring other possible causes (e.g., covariate shift). In this paper, we present a novel, unifying framework to study OOD detection in a broader scope. Instead of detecting OOD examples from a particular cause, we propose to detect examples that a deployed machine learning model (e.g., an image classifier) is unable to predict correctly. That is, whether a test example should be detected and rejected or not is ``model-specific''. We show that this framework unifies the detection of OOD examples caused by semantic shift and covariate shift, and closely addresses the concern of applying a machine learning model to uncontrolled environments. We provide an extensive analysis that involves a variety of models (e.g., different architectures and training strategies), sources of OOD examples, and OOD detection approaches, and reveal several insights into improving and understanding OOD detection in uncontrolled environments.

Vision foundation models (VFMs) such as DINOv2 and CLIP have achieved impressive results on various downstream tasks, but their limited feature resolution hampers performance in applications requiring pixel-level understanding. Feature upsampling offers a promising direction to address this challenge. In this work, we identify two critical factors for enhancing feature upsampling: the upsampler architecture and the training objective. For the upsampler architecture, we introduce a coordinate-based cross-attention transformer that integrates the high-resolution images with coordinates and low-resolution VFM features to generate sharp, high-quality features. For the training objective, we propose constructing high-resolution pseudo-groundtruth features by leveraging class-agnostic masks and self-distillation. Our approach effectively captures fine-grained details and adapts flexibly to various input and feature resolutions. Through experiments, we demonstrate that our approach significantly outperforms existing feature upsampling techniques across various downstream tasks. Our code is released at https://github.com/andrehuang/loftup.

We introduce AnyUp, a method for feature upsampling that can be applied to any vision feature at any resolution, without encoder-specific training. Existing learning-based upsamplers for features like DINO or CLIP need to be re-trained for every feature extractor and thus do not generalize to different feature types at inference time. In this work, we propose an inference-time feature-agnostic upsampling architecture to alleviate this limitation and improve upsampling quality. In our experiments, AnyUp sets a new state of the art for upsampled features, generalizes to different feature types, and preserves feature semantics while being efficient and easy to apply to a wide range of downstream tasks.

Humans are prone to cognitive distortions -- biased thinking patterns that lead to exaggerated responses to specific stimuli, albeit in very different contexts. This paper demonstrates that advanced Multimodal Large Language Models (MLLMs) exhibit similar tendencies. While these models are designed to respond queries under safety mechanism, they sometimes reject harmless queries in the presence of certain visual stimuli, disregarding the benign nature of their contexts. As the initial step in investigating this behavior, we identify three types of stimuli that trigger the oversensitivity of existing MLLMs: Exaggerated Risk, Negated Harm, and Counterintuitive Interpretation. To systematically evaluate MLLMs' oversensitivity to these stimuli, we propose the Multimodal OverSenSitivity Benchmark (MOSSBench). This toolkit consists of 300 manually collected benign multimodal queries, cross-verified by third-party reviewers (AMT). Empirical studies using MOSSBench on 20 MLLMs reveal several insights: (1). Oversensitivity is prevalent among SOTA MLLMs, with refusal rates reaching up to 76% for harmless queries. (2). Safer models are more oversensitive: increasing safety may inadvertently raise caution and conservatism in the model's responses. (3). Different types of stimuli tend to cause errors at specific stages -- perception, intent reasoning, and safety judgement -- in the response process of MLLMs. These findings highlight the need for refined safety mechanisms that balance caution with contextually appropriate responses, improving the reliability of MLLMs in real-world applications. We make our project available at https://turningpoint-ai.github.io/MOSSBench/.

Prior research on out-of-distribution detection (OoDD) has primarily focused on single-modality models. Recently, with the advent of large-scale pretrained vision-language models such as CLIP, OoDD methods utilizing such multi-modal representations through zero-shot and prompt learning strategies have emerged. However, these methods typically involve either freezing the pretrained weights or only partially tuning them, which can be suboptimal for downstream datasets. In this paper, we highlight that multi-modal fine-tuning (MMFT) can achieve notable OoDD performance. Despite some recent works demonstrating the impact of fine-tuning methods for OoDD, there remains significant potential for performance improvement. We investigate the limitation of na\"ive fine-tuning methods, examining why they fail to fully leverage the pretrained knowledge. Our empirical analysis suggests that this issue could stem from the modality gap within in-distribution (ID) embeddings. To address this, we propose a training objective that enhances cross-modal alignment by regularizing the distances between image and text embeddings of ID data. This adjustment helps in better utilizing pretrained textual information by aligning similar semantics from different modalities (i.e., text and image) more closely in the hyperspherical representation space. We theoretically demonstrate that the proposed regularization corresponds to the maximum likelihood estimation of an energy-based model on a hypersphere. Utilizing ImageNet-1k OoD benchmark datasets, we show that our method, combined with post-hoc OoDD approaches leveraging pretrained knowledge (e.g., NegLabel), significantly outperforms existing methods, achieving state-of-the-art OoDD performance and leading ID accuracy.

Machine learning systems are known to be sensitive to spurious correlations between biased features of the inputs (e.g., background, texture, and secondary objects) and the corresponding labels. These features and their correlations with the labels are known as "spurious" because they tend to change with shifts in real-world data distributions, which can negatively impact the model's generalization and robustness. In this survey, we provide a comprehensive review of this issue, along with a taxonomy of current state-of-the-art methods for addressing spurious correlations in machine learning models. Additionally, we summarize existing datasets, benchmarks, and metrics to aid future research. The paper concludes with a discussion of the recent advancements and future research challenges in this field, aiming to provide valuable insights for researchers in the related domains.

Although deep neural networks achieve tremendous success on various classification tasks, the generalization ability drops sheer when training datasets exhibit long-tailed distributions. One of the reasons is that the learned representations (i.e. features) from the imbalanced datasets are less effective than those from balanced datasets. Specifically, the learned representation under class-balanced distribution will present the Neural Collapse (NC) phenomena. NC indicates the features from the same category are close to each other and from different categories are maximally distant, showing an optimal linear separable state of classification. However, the pattern differs on imbalanced datasets and is partially responsible for the reduced performance of the model. In this work, we propose two explicit feature regularization terms to learn high-quality representation for class-imbalanced data. With the proposed regularization, NC phenomena will appear under the class-imbalanced distribution, and the generalization ability can be significantly improved. Our method is easily implemented, highly effective, and can be plugged into most existing methods. The extensive experimental results on widely-used benchmarks show the effectiveness of our method

Adversarial examples cause neural networks to produce incorrect outputs with high confidence. Although adversarial training is one of the most effective forms of defense against adversarial examples, unfortunately, a large gap exists between test accuracy and training accuracy in adversarial training. In this paper, we identify Adversarial Feature Overfitting (AFO), which may cause poor adversarially robust generalization, and we show that adversarial training can overshoot the optimal point in terms of robust generalization, leading to AFO in our simple Gaussian model. Considering these theoretical results, we present soft labeling as a solution to the AFO problem. Furthermore, we propose Adversarial Vertex mixup (AVmixup), a soft-labeled data augmentation approach for improving adversarially robust generalization. We complement our theoretical analysis with experiments on CIFAR10, CIFAR100, SVHN, and Tiny ImageNet, and show that AVmixup significantly improves the robust generalization performance and that it reduces the trade-off between standard accuracy and adversarial robustness.

Generating multiple new concepts remains a challenging problem in the text-to-image task. Current methods often overfit when trained on a small number of samples and struggle with attribute leakage, particularly for class-similar subjects (e.g., two specific dogs). In this paper, we introduce Fuse-and-Refine (FaR), a novel approach that tackles these challenges through two key contributions: Concept Fusion technique and Localized Refinement loss function. Concept Fusion systematically augments the training data by separating reference subjects from backgrounds and recombining them into composite images to increase diversity. This augmentation technique tackles the overfitting problem by mitigating the narrow distribution of the limited training samples. In addition, Localized Refinement loss function is introduced to preserve subject representative attributes by aligning each concept's attention map to its correct region. This approach effectively prevents attribute leakage by ensuring that the diffusion model distinguishes similar subjects without mixing their attention maps during the denoising process. By fine-tuning specific modules at the same time, FaR balances the learning of new concepts with the retention of previously learned knowledge. Empirical results show that FaR not only prevents overfitting and attribute leakage while maintaining photorealism, but also outperforms other state-of-the-art methods.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

Fast adversarial training (FAT) is beneficial for improving the adversarial robustness of neural networks. However, previous FAT work has encountered a significant issue known as catastrophic overfitting when dealing with large perturbation budgets, \ie the adversarial robustness of models declines to near zero during training. To address this, we analyze the training process of prior FAT work and observe that catastrophic overfitting is accompanied by the appearance of loss convergence outliers. Therefore, we argue a moderately smooth loss convergence process will be a stable FAT process that solves catastrophic overfitting. To obtain a smooth loss convergence process, we propose a novel oscillatory constraint (dubbed ConvergeSmooth) to limit the loss difference between adjacent epochs. The convergence stride of ConvergeSmooth is introduced to balance convergence and smoothing. Likewise, we design weight centralization without introducing additional hyperparameters other than the loss balance coefficient. Our proposed methods are attack-agnostic and thus can improve the training stability of various FAT techniques. Extensive experiments on popular datasets show that the proposed methods efficiently avoid catastrophic overfitting and outperform all previous FAT methods. Code is available at https://github.com/FAT-CS/ConvergeSmooth.

Data selection reallocates training support across visual concepts, including objects, attributes, color, texture, and backgrounds. Different allocation strategies may produce varied downstream model behavior, especially for tail concepts supported by only a few samples. Discarding them can hurt test-time robustness, while overemphasizing samples lying on category boundaries may introduce unstable training signals. This work explicitly investigates this relationship across fine-grained, spurious-correlation, and general image classification, as well as multimodal pretraining. Specifically, we use sparse autoencoders (SAEs) to extract concept activations from individual images. During selection, we accumulate the dataset-level concept support for each added sample. Applying diminishing returns to this distribution down-weights well-represented concepts and shifts the focus to the distribution tail. We then incorporate local support to find samples that reliably strengthen under-supported concepts. Empirical results show consistent improvements over strong data selection baselines across all benchmarks. We also reveal the connection between concepts our method enhances and the induced behavioral changes, including improved robustness against out-of-distribution and spurious contexts. This work establishes concept support, beyond individual sample importance, as a useful principle for data-efficient and robust learning.

The ability to cope with out-of-distribution (OOD) corruptions and adversarial attacks is crucial in real-world safety-demanding applications. In this study, we develop a general mechanism to increase neural network robustness based on focus analysis. Recent studies have revealed the phenomenon of Overfocusing, which leads to a performance drop. When the network is primarily influenced by small input regions, it becomes less robust and prone to misclassify under noise and corruptions. However, quantifying overfocusing is still vague and lacks clear definitions. Here, we provide a mathematical definition of focus, overfocusing and underfocusing. The notions are general, but in this study, we specifically investigate the case of 3D point clouds. We observe that corrupted sets result in a biased focus distribution compared to the clean training set. We show that as focus distribution deviates from the one learned in the training phase - classification performance deteriorates. We thus propose a parameter-free refocusing algorithm that aims to unify all corruptions under the same distribution. We validate our findings on a 3D zero-shot classification task, achieving SOTA in robust 3D classification on ModelNet-C dataset, and in adversarial defense against Shape-Invariant attack. Code is available in: https://github.com/yossilevii100/refocusing.

In this study, we systematically investigate the impact of class imbalance on classification performance of convolutional neural networks (CNNs) and compare frequently used methods to address the issue. Class imbalance is a common problem that has been comprehensively studied in classical machine learning, yet very limited systematic research is available in the context of deep learning. In our study, we use three benchmark datasets of increasing complexity, MNIST, CIFAR-10 and ImageNet, to investigate the effects of imbalance on classification and perform an extensive comparison of several methods to address the issue: oversampling, undersampling, two-phase training, and thresholding that compensates for prior class probabilities. Our main evaluation metric is area under the receiver operating characteristic curve (ROC AUC) adjusted to multi-class tasks since overall accuracy metric is associated with notable difficulties in the context of imbalanced data. Based on results from our experiments we conclude that (i) the effect of class imbalance on classification performance is detrimental; (ii) the method of addressing class imbalance that emerged as dominant in almost all analyzed scenarios was oversampling; (iii) oversampling should be applied to the level that completely eliminates the imbalance, whereas the optimal undersampling ratio depends on the extent of imbalance; (iv) as opposed to some classical machine learning models, oversampling does not cause overfitting of CNNs; (v) thresholding should be applied to compensate for prior class probabilities when overall number of properly classified cases is of interest.

Video Anomaly Detection (VAD) methods based on reconstruction or prediction face two critical challenges: (1) strong generalization capability often results in accurate reconstruction or prediction of abnormal events, making it difficult to distinguish normal from abnormal patterns; (2) reliance only on low-level appearance and motion cues limits their ability to identify high-level semantic in abnormal events from complex scenes. To address these limitations, we propose a novel VAD framework with two key innovations. First, to suppress excessive generalization, we introduce the Sparse Feature Filtering Module (SFFM) that employs bottleneck filters to dynamically and adaptively remove abnormal information from features. Unlike traditional memory modules, it does not need to memorize the normal prototypes across the training dataset. Further, we design the Mixture of Experts (MoE) architecture for SFFM. Each expert is responsible for extracting specialized principal features during running time, and different experts are selectively activated to ensure the diversity of the learned principal features. Second, to overcome the neglect of semantics in existing methods, we integrate a Vision-Language Model (VLM) to generate textual descriptions for video clips, enabling comprehensive joint modeling of semantic, appearance, and motion cues. Additionally, we enforce modality consistency through semantic similarity constraints and motion frame-difference contrastive loss. Extensive experiments on multiple public datasets validate the effectiveness of our multimodal joint modeling framework and sparse feature filtering paradigm. Project page at https://qzfm.github.io/sfn_vad_project_page/.

A 20% rise in car crashes in 2021 compared to 2020 has been observed as a result of increased distraction and drowsiness. Drowsy and distracted driving are the cause of 45% of all car crashes. As a means to decrease drowsy and distracted driving, detection methods using computer vision can be designed to be low-cost, accurate, and minimally invasive. This work investigated the use of the vision transformer to outperform state-of-the-art accuracy from 3D-CNNs. Two separate transformers were trained for drowsiness and distractedness. The drowsy video transformer model was trained on the National Tsing-Hua University Drowsy Driving Dataset (NTHU-DDD) with a Video Swin Transformer model for 10 epochs on two classes -- drowsy and non-drowsy simulated over 10.5 hours. The distracted video transformer was trained on the Driver Monitoring Dataset (DMD) with Video Swin Transformer for 50 epochs over 9 distraction-related classes. The accuracy of the drowsiness model reached 44% and a high loss value on the test set, indicating overfitting and poor model performance. Overfitting indicates limited training data and applied model architecture lacked quantifiable parameters to learn. The distracted model outperformed state-of-the-art models on DMD reaching 97.5%, indicating that with sufficient data and a strong architecture, transformers are suitable for unfit driving detection. Future research should use newer and stronger models such as TokenLearner to achieve higher accuracy and efficiency, merge existing datasets to expand to detecting drunk driving and road rage to create a comprehensive solution to prevent traffic crashes, and deploying a functioning prototype to revolutionize the automotive safety industry.

Overfitting is the bane of data analysts, even when data are plentiful. Formal approaches to understanding this problem focus on statistical inference and generalization of individual analysis procedures. Yet the practice of data analysis is an inherently interactive and adaptive process: new analyses and hypotheses are proposed after seeing the results of previous ones, parameters are tuned on the basis of obtained results, and datasets are shared and reused. An investigation of this gap has recently been initiated by the authors in (Dwork et al., 2014), where we focused on the problem of estimating expectations of adaptively chosen functions. In this paper, we give a simple and practical method for reusing a holdout (or testing) set to validate the accuracy of hypotheses produced by a learning algorithm operating on a training set. Reusing a holdout set adaptively multiple times can easily lead to overfitting to the holdout set itself. We give an algorithm that enables the validation of a large number of adaptively chosen hypotheses, while provably avoiding overfitting. We illustrate the advantages of our algorithm over the standard use of the holdout set via a simple synthetic experiment. We also formalize and address the general problem of data reuse in adaptive data analysis. We show how the differential-privacy based approach given in (Dwork et al., 2014) is applicable much more broadly to adaptive data analysis. We then show that a simple approach based on description length can also be used to give guarantees of statistical validity in adaptive settings. Finally, we demonstrate that these incomparable approaches can be unified via the notion of approximate max-information that we introduce.

Overparametrization often helps improve the generalization performance. This paper proposes a dual view of overparametrization suggesting that downsampling may also help generalize. Motivated by this dual view, we characterize two out-of-sample prediction risks of the sketched ridgeless least square estimator in the proportional regime masymp n asymp p, where m is the sketching size, n the sample size, and p the feature dimensionality. Our results reveal the statistical role of downsampling. Specifically, downsampling does not always hurt the generalization performance, and may actually help improve it in some cases. We identify the optimal sketching sizes that minimize the out-of-sample prediction risks, and find that the optimally sketched estimator has stabler risk curves that eliminates the peaks of those for the full-sample estimator. We then propose a practical procedure to empirically identify the optimal sketching size. Finally, we extend our results to cover central limit theorems and misspecified models. Numerical studies strongly support our theory.

Adversarial examples, generated by carefully crafted perturbation, have attracted considerable attention in research fields. Recent works have argued that the existence of the robust and non-robust features is a primary cause of the adversarial examples, and investigated their internal interactions in the feature space. In this paper, we propose a way of explicitly distilling feature representation into the robust and non-robust features, using Information Bottleneck. Specifically, we inject noise variation to each feature unit and evaluate the information flow in the feature representation to dichotomize feature units either robust or non-robust, based on the noise variation magnitude. Through comprehensive experiments, we demonstrate that the distilled features are highly correlated with adversarial prediction, and they have human-perceptible semantic information by themselves. Furthermore, we present an attack mechanism intensifying the gradient of non-robust features that is directly related to the model prediction, and validate its effectiveness of breaking model robustness.

Most existing debiasing methods for multimodal models, including causal intervention and inference methods, utilize approximate heuristics to represent the biases, such as shallow features from early stages of training or unimodal features for multimodal tasks like VQA, etc., which may not be accurate. In this paper, we study bias arising from confounders in a causal graph for multimodal data and examine a novel approach that leverages causally-motivated information minimization to learn the confounder representations. Robust predictive features contain diverse information that helps a model generalize to out-of-distribution data. Hence, minimizing the information content of features obtained from a pretrained biased model helps learn the simplest predictive features that capture the underlying data distribution. We treat these features as confounder representations and use them via methods motivated by causal theory to remove bias from models. We find that the learned confounder representations indeed capture dataset biases, and the proposed debiasing methods improve out-of-distribution (OOD) performance on multiple multimodal datasets without sacrificing in-distribution performance. Additionally, we introduce a novel metric to quantify the sufficiency of spurious features in models' predictions that further demonstrates the effectiveness of our proposed methods. Our code is available at: https://github.com/Vaidehi99/CausalInfoMin

Hallucination is a persistent challenge in large language models (LLMs), where even with rigorous quality control, models often generate distorted facts. This paradox, in which error generation continues despite high-quality training data, calls for a deeper understanding of the underlying LLM mechanisms. To address it, we propose a novel concept: knowledge overshadowing, where model's dominant knowledge can obscure less prominent knowledge during text generation, causing the model to fabricate inaccurate details. Building on this idea, we introduce a novel framework to quantify factual hallucinations by modeling knowledge overshadowing. Central to our approach is the log-linear law, which predicts that the rate of factual hallucination increases linearly with the logarithmic scale of (1) Knowledge Popularity, (2) Knowledge Length, and (3) Model Size. The law provides a means to preemptively quantify hallucinations, offering foresight into their occurrence even before model training or inference. Built on overshadowing effect, we propose a new decoding strategy CoDa, to mitigate hallucinations, which notably enhance model factuality on Overshadow (27.9%), MemoTrap (13.1%) and NQ-Swap (18.3%). Our findings not only deepen understandings of the underlying mechanisms behind hallucinations but also provide actionable insights for developing more predictable and controllable language models.

Two-branch network architecture has shown its efficiency and effectiveness in real-time semantic segmentation tasks. However, direct fusion of high-resolution details and low-frequency context has the drawback of detailed features being easily overwhelmed by surrounding contextual information. This overshoot phenomenon limits the improvement of the segmentation accuracy of existing two-branch models. In this paper, we make a connection between Convolutional Neural Networks (CNN) and Proportional-Integral-Derivative (PID) controllers and reveal that a two-branch network is equivalent to a Proportional-Integral (PI) controller, which inherently suffers from similar overshoot issues. To alleviate this problem, we propose a novel three-branch network architecture: PIDNet, which contains three branches to parse detailed, context and boundary information, respectively, and employs boundary attention to guide the fusion of detailed and context branches. Our family of PIDNets achieve the best trade-off between inference speed and accuracy and their accuracy surpasses all the existing models with similar inference speed on the Cityscapes and CamVid datasets. Specifically, PIDNet-S achieves 78.6% mIOU with inference speed of 93.2 FPS on Cityscapes and 80.1% mIOU with speed of 153.7 FPS on CamVid.

We introduce the FRactional-Order graph Neural Dynamical network (FROND), a new continuous graph neural network (GNN) framework. Unlike traditional continuous GNNs that rely on integer-order differential equations, FROND employs the Caputo fractional derivative to leverage the non-local properties of fractional calculus. This approach enables the capture of long-term dependencies in feature updates, moving beyond the Markovian update mechanisms in conventional integer-order models and offering enhanced capabilities in graph representation learning. We offer an interpretation of the node feature updating process in FROND from a non-Markovian random walk perspective when the feature updating is particularly governed by a diffusion process. We demonstrate analytically that oversmoothing can be mitigated in this setting. Experimentally, we validate the FROND framework by comparing the fractional adaptations of various established integer-order continuous GNNs, demonstrating their consistently improved performance and underscoring the framework's potential as an effective extension to enhance traditional continuous GNNs. The code is available at https://github.com/zknus/ICLR2024-FROND.

Discriminative approaches to classification often learn shortcuts that hold in-distribution but fail even under minor distribution shift. This failure mode stems from an overreliance on features that are spuriously correlated with the label. We show that generative classifiers, which use class-conditional generative models, can avoid this issue by modeling all features, both core and spurious, instead of mainly spurious ones. These generative classifiers are simple to train, avoiding the need for specialized augmentations, strong regularization, extra hyperparameters, or knowledge of the specific spurious correlations to avoid. We find that diffusion-based and autoregressive generative classifiers achieve state-of-the-art performance on five standard image and text distribution shift benchmarks and reduce the impact of spurious correlations in realistic applications, such as medical or satellite datasets. Finally, we carefully analyze a Gaussian toy setting to understand the inductive biases of generative classifiers, as well as the data properties that determine when generative classifiers outperform discriminative ones.

We study the cost of overfitting in noisy kernel ridge regression (KRR), which we define as the ratio between the test error of the interpolating ridgeless model and the test error of the optimally-tuned model. We take an "agnostic" view in the following sense: we consider the cost as a function of sample size for any target function, even if the sample size is not large enough for consistency or the target is outside the RKHS. We analyze the cost of overfitting under a Gaussian universality ansatz using recently derived (non-rigorous) risk estimates in terms of the task eigenstructure. Our analysis provides a more refined characterization of benign, tempered and catastrophic overfitting (cf. Mallinar et al. 2022).

Recent advances in volumetric super-resolution (SR) have demonstrated strong performance in medical and scientific imaging, with transformer- and CNN-based approaches achieving impressive results even at extreme scaling factors. In this work, we show that much of this performance stems from training on downsampled data rather than real low-resolution scans. This reliance on downsampling is partly driven by the scarcity of paired high- and low-resolution 3D datasets. To address this, we introduce VoDaSuRe, a large-scale volumetric dataset containing paired high- and low-resolution scans. When training models on VoDaSuRe, we reveal a significant discrepancy: SR models trained on downsampled data produce substantially sharper predictions than those trained on real low-resolution scans, which smooth fine structures. Conversely, applying models trained on downsampled data to real scans preserves more structure but is inaccurate. Our findings suggest that current SR methods are overstated - when applied to real data, they do not recover structures lost in low-resolution scans and instead predict a smoothed average. We argue that progress in deep learning-based volumetric SR requires datasets with paired real scans of high complexity, such as VoDaSuRe. Our dataset and code are publicly available through: https://augusthoeg.github.io/VoDaSuRe/

Neural networks trained by gradient descent (GD) have exhibited a number of surprising generalization behaviors. First, they can achieve a perfect fit to noisy training data and still generalize near-optimally, showing that overfitting can sometimes be benign. Second, they can undergo a period of classical, harmful overfitting -- achieving a perfect fit to training data with near-random performance on test data -- before transitioning ("grokking") to near-optimal generalization later in training. In this work, we show that both of these phenomena provably occur in two-layer ReLU networks trained by GD on XOR cluster data where a constant fraction of the training labels are flipped. In this setting, we show that after the first step of GD, the network achieves 100% training accuracy, perfectly fitting the noisy labels in the training data, but achieves near-random test accuracy. At a later training step, the network achieves near-optimal test accuracy while still fitting the random labels in the training data, exhibiting a "grokking" phenomenon. This provides the first theoretical result of benign overfitting in neural network classification when the data distribution is not linearly separable. Our proofs rely on analyzing the feature learning process under GD, which reveals that the network implements a non-generalizable linear classifier after one step and gradually learns generalizable features in later steps.

Single-step adversarial training (SSAT) has demonstrated the potential to achieve both efficiency and robustness. However, SSAT suffers from catastrophic overfitting (CO), a phenomenon that leads to a severely distorted classifier, making it vulnerable to multi-step adversarial attacks. In this work, we observe that some adversarial examples generated on the SSAT-trained network exhibit anomalous behaviour, that is, although these training samples are generated by the inner maximization process, their associated loss decreases instead, which we named abnormal adversarial examples (AAEs). Upon further analysis, we discover a close relationship between AAEs and classifier distortion, as both the number and outputs of AAEs undergo a significant variation with the onset of CO. Given this observation, we re-examine the SSAT process and uncover that before the occurrence of CO, the classifier already displayed a slight distortion, indicated by the presence of few AAEs. Furthermore, the classifier directly optimizing these AAEs will accelerate its distortion, and correspondingly, the variation of AAEs will sharply increase as a result. In such a vicious circle, the classifier rapidly becomes highly distorted and manifests as CO within a few iterations. These observations motivate us to eliminate CO by hindering the generation of AAEs. Specifically, we design a novel method, termed Abnormal Adversarial Examples Regularization (AAER), which explicitly regularizes the variation of AAEs to hinder the classifier from becoming distorted. Extensive experiments demonstrate that our method can effectively eliminate CO and further boost adversarial robustness with negligible additional computational overhead.

Fine-tuning is becoming widely used for leveraging the power of pre-trained foundation models in new downstream tasks. While there are many successes of fine-tuning on various tasks, recent studies have observed challenges in the generalization of fine-tuned models to unseen distributions (i.e., out-of-distribution; OOD). To improve OOD generalization, some previous studies identify the limitations of fine-tuning data and regulate fine-tuning to preserve the general representation learned from pre-training data. However, potential limitations in the pre-training data and models are often ignored. In this paper, we contend that overly relying on the pre-trained representation may hinder fine-tuning from learning essential representations for downstream tasks and thus hurt its OOD generalization. It can be especially catastrophic when new tasks are from different (sub)domains compared to pre-training data. To address the issues in both pre-training and fine-tuning data, we propose a novel generalizable fine-tuning method LEVI (Layer-wise Ensemble of different VIews), where the pre-trained model is adaptively ensembled layer-wise with a small task-specific model, while preserving its efficiencies. By combining two complementing models, LEVI effectively suppresses problematic features in both the fine-tuning data and pre-trained model and preserves useful features for new tasks. Broad experiments with large language and vision models show that LEVI greatly improves fine-tuning generalization via emphasizing different views from fine-tuning data and pre-trained features.

Detecting out-of-distribution (OOD) samples is crucial for ensuring the safety of machine learning systems and has shaped the field of OOD detection. Meanwhile, several other problems are closely related to OOD detection, including anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). To unify these problems, a generalized OOD detection framework was proposed, taxonomically categorizing these five problems. However, Vision Language Models (VLMs) such as CLIP have significantly changed the paradigm and blurred the boundaries between these fields, again confusing researchers. In this survey, we first present a generalized OOD detection v2, encapsulating the evolution of AD, ND, OSR, OOD detection, and OD in the VLM era. Our framework reveals that, with some field inactivity and integration, the demanding challenges have become OOD detection and AD. In addition, we also highlight the significant shift in the definition, problem settings, and benchmarks; we thus feature a comprehensive review of the methodology for OOD detection, including the discussion over other related tasks to clarify their relationship to OOD detection. Finally, we explore the advancements in the emerging Large Vision Language Model (LVLM) era, such as GPT-4V. We conclude this survey with open challenges and future directions.

Reliable detection of out-of-distribution (OOD) samples is crucial for the safe deployment of machine learning models. Neural networks often produce overconfident predictions for inputs that deviate from their training data, leading to significant degradation in performance. While many OOD detection methods focus on the final output layer, they neglect the rich hierarchical information present in intermediate network layers. This paper introduces a novel approach that leverages sparse autoencoders (SAEs) to learn interpretable features from these intermediate activations. We find that in-distribution (ID) and OOD data activate distinct sets of these sparse features. We propose a new OOD score derived from the cosine similarity between the sparse feature activations of a test sample and the mean activations of ID classes. Our post-hoc detection method not only achieves state-of-the-art performance on standard OOD detection benchmarks, but yields interpretable insights into how distribution shift affects learned representations.

In order to minimize the generalization error in neural networks, a novel technique to identify overfitting phenomena when training the learner is formally introduced. This enables support of a reliable and trustworthy early stopping condition, thus improving the predictive power of that type of modeling. Our proposal exploits the correlation over time in a collection of online indicators, namely characteristic functions for indicating if a set of hypotheses are met, associated with a range of independent stopping conditions built from a canary judgment to evaluate the presence of overfitting. That way, we provide a formal basis for decision making in terms of interrupting the learning process. As opposed to previous approaches focused on a single criterion, we take advantage of subsidiarities between independent assessments, thus seeking both a wider operating range and greater diagnostic reliability. With a view to illustrating the effectiveness of the halting condition described, we choose to work in the sphere of natural language processing, an operational continuum increasingly based on machine learning. As a case study, we focus on parser generation, one of the most demanding and complex tasks in the domain. The selection of cross-validation as a canary function enables an actual comparison with the most representative early stopping conditions based on overfitting identification, pointing to a promising start toward an optimal bias and variance control.

Text-to-Image (T2I) models have achieved remarkable success in generating visual content from text inputs. Although multiple safety alignment strategies have been proposed to prevent harmful outputs, they often lead to overly cautious behavior -- rejecting even benign prompts -- a phenomenon known as over-refusal that reduces the practical utility of T2I models. Despite over-refusal having been observed in practice, there is no large-scale benchmark that systematically evaluates this phenomenon for T2I models. In this paper, we present an automatic workflow to construct synthetic evaluation data, resulting in OVERT (OVEr-Refusal evaluation on Text-to-image models), the first large-scale benchmark for assessing over-refusal behaviors in T2I models. OVERT includes 4,600 seemingly harmful but benign prompts across nine safety-related categories, along with 1,785 genuinely harmful prompts (OVERT-unsafe) to evaluate the safety-utility trade-off. Using OVERT, we evaluate several leading T2I models and find that over-refusal is a widespread issue across various categories (Figure 1), underscoring the need for further research to enhance the safety alignment of T2I models without compromising their functionality. As a preliminary attempt to reduce over-refusal, we explore prompt rewriting; however, we find it often compromises faithfulness to the meaning of the original prompts. Finally, we demonstrate the flexibility of our generation framework in accommodating diverse safety requirements by generating customized evaluation data adapting to user-defined policies.

Parameter-efficient fine-tuning methods, represented by LoRA, play an essential role in adapting large-scale pre-trained models to downstream tasks. However, fine-tuning LoRA-series models also faces the risk of overfitting on the training dataset, and yet there's still a lack of theoretical guidance and practical mechanism to control overfitting on LoRA-based PEFT methods. In this paper, we propose a LoRA Dropout mechanism for the LoRA-based methods by introducing random noises to the learnable low-rank matrices and increasing parameter sparsity. We then demonstrate the theoretical mechanism of our LoRA Dropout mechanism from the perspective of sparsity regularization by providing a generalization error bound under this framework. Theoretical results show that appropriate sparsity would help tighten the gap between empirical and generalization risks and thereby control overfitting. Furthermore, based on the LoRA Dropout framework, we introduce a test-time ensemble strategy and provide theoretical evidence demonstrating that the ensemble method can further compress the error bound, and lead to better performance during inference time. Extensive experiments on various NLP tasks provide practical validations of the effectiveness of our LoRA Dropout framework in improving model accuracy and calibration.

Overfitting widely exists in adversarial robust training of deep networks. An effective remedy is adversarial weight perturbation, which injects the worst-case weight perturbation during network training by maximizing the classification loss on adversarial examples. Adversarial weight perturbation helps reduce the robust generalization gap; however, it also undermines the robustness improvement. A criterion that regulates the weight perturbation is therefore crucial for adversarial training. In this paper, we propose such a criterion, namely Loss Stationary Condition (LSC) for constrained perturbation. With LSC, we find that it is essential to conduct weight perturbation on adversarial data with small classification loss to eliminate robust overfitting. Weight perturbation on adversarial data with large classification loss is not necessary and may even lead to poor robustness. Based on these observations, we propose a robust perturbation strategy to constrain the extent of weight perturbation. The perturbation strategy prevents deep networks from overfitting while avoiding the side effect of excessive weight perturbation, significantly improving the robustness of adversarial training. Extensive experiments demonstrate the superiority of the proposed method over the state-of-the-art adversarial training methods.

The design of modern recommender systems relies on understanding which parts of the feature space are relevant for solving a given recommendation task. However, real-world data sets in this domain are often characterized by their large size, sparsity, and noise, making it challenging to identify meaningful signals. Feature ranking represents an efficient branch of algorithms that can help address these challenges by identifying the most informative features and facilitating the automated search for more compact and better-performing models (AutoML). We introduce OutRank, a system for versatile feature ranking and data quality-related anomaly detection. OutRank was built with categorical data in mind, utilizing a variant of mutual information that is normalized with regard to the noise produced by features of the same cardinality. We further extend the similarity measure by incorporating information on feature similarity and combined relevance. The proposed approach's feasibility is demonstrated by speeding up the state-of-the-art AutoML system on a synthetic data set with no performance loss. Furthermore, we considered a real-life click-through-rate prediction data set where it outperformed strong baselines such as random forest-based approaches. The proposed approach enables exploration of up to 300% larger feature spaces compared to AutoML-only approaches, enabling faster search for better models on off-the-shelf hardware.

Overfitting negatively impacts the generalization ability of deep neural networks (DNNs) in both natural and adversarial training. Existing methods struggle to consistently address different types of overfitting, typically designing strategies that focus separately on either natural or adversarial patterns. In this work, we adopt a unified perspective by solely focusing on natural patterns to explore different types of overfitting. Specifically, we examine the memorization effect in DNNs and reveal a shared behaviour termed over-memorization, which impairs their generalization capacity. This behaviour manifests as DNNs suddenly becoming high-confidence in predicting certain training patterns and retaining a persistent memory for them. Furthermore, when DNNs over-memorize an adversarial pattern, they tend to simultaneously exhibit high-confidence prediction for the corresponding natural pattern. These findings motivate us to holistically mitigate different types of overfitting by hindering the DNNs from over-memorization natural patterns. To this end, we propose a general framework, Distraction Over-Memorization (DOM), which explicitly prevents over-memorization by either removing or augmenting the high-confidence natural patterns. Extensive experiments demonstrate the effectiveness of our proposed method in mitigating overfitting across various training paradigms.

Recently, feature upsampling has gained increasing attention owing to its effectiveness in enhancing vision foundation models (VFMs) for pixel-level understanding tasks. Existing methods typically rely on high-resolution features from the same foundation model to achieve upsampling via self-reconstruction. However, relying solely on intra-model features forces the upsampler to overfit to the source model's inherent location misalignment and high-norm artifacts. To address this fundamental limitation, we propose DiveUp, a novel framework that breaks away from single-model dependency by introducing multi-VFM relational guidance. Instead of naive feature fusion, DiveUp leverages diverse VFMs as a panel of experts, utilizing their structural consensus to regularize the upsampler's learning process, effectively preventing the propagation of inaccurate spatial structures from the source model. To reconcile the unaligned feature spaces across different VFMs, we propose a universal relational feature representation, formulated as a local center-of-mass (COM) field, that extracts intrinsic geometric structures, enabling seamless cross-model interaction. Furthermore, we introduce a spikiness-aware selection strategy that evaluates the spatial reliability of each VFM, effectively filtering out high-norm artifacts to aggregate guidance from only the most reliable expert at each local region. DiveUp is a unified, encoder-agnostic framework; a jointly-trained model can universally upsample features from diverse VFMs without requiring per-model retraining. Extensive experiments demonstrate that DiveUp achieves state-of-the-art performance across various downstream dense prediction tasks, validating the efficacy of multi-expert relational guidance. Our code and models are available at: https://github.com/Xiaoqiong-Liu/DiveUp

Large Language Models (LLMs) require careful safety alignment to prevent malicious outputs. While significant research focuses on mitigating harmful content generation, the enhanced safety often come with the side effect of over-refusal, where LLMs may reject innocuous prompts and become less helpful. Although the issue of over-refusal has been empirically observed, a systematic measurement is challenging due to the difficulty of crafting prompts that appear harmful but are benign. This study proposes a novel method for automatically generating large-scale sets of "seemingly toxic prompts" (benign prompts likely rejected by LLMs). Leveraging this technique, we introduce OR-Bench, the first large-scale over-refusal benchmark. OR-Bench comprises 80,000 seemingly toxic prompts across 10 common rejection categories, a subset of around 1,000 hard prompts that are challenging even for state-of-the-art LLMs, and an additional 600 toxic prompts to prevent indiscriminate responses. We then conduct a comprehensive study to measure the over-refusal of 25 popular LLMs across 8 model families. Our datasets are available at https://huggingface.co/datasets/bench-llm/or-bench and the demo can be found at https://huggingface.co/spaces/bench-llm/or-bench. We hope this benchmark can help the community develop better safety aligned models.

Personalized LLMs with persistent memory are increasingly deployed, yet the faithfulness of their user models remains unexamined. We study over-inference (OI): the phenomenon where LLMs fabricate user attributes beyond what evidence supports. We introduce MirageBench, comprising 150 personas balanced across stereotypical, counter-stereotypical, and neutral profiles, 6 personalization tasks spanning an ``imagination gradient'', a four-way faithfulness taxonomy operationalized by an independent judge (validated against a blind human annotator on 400 claims: Cohen's kappa = 0.863 four-class, kappa = 0.900 binary), and a leaderboard of 12 models across 7 families on 143616 judged claims. We find that over-inference is pervasive: every one of the 12 models over-infers 35%--49% of its claims (cross-model mean 41.6%; claim-weighted 41.8%), with no model in this evaluation escaping it. Most strikingly, we surface a Self-Monitoring Inversion: at the model-selection level, models' self-assessed OI is negatively rank-correlated with their judge-measured OI (rho = -0.60, p = 0.044; exploratory, wide bootstrap CI [-0.90, +0.06], n = 12). The models that report the least over-inference tend to be flagged as fabricating the most, so self-reported confidence is a misleading signal for comparing models, even though within a single model self-audit still ranks that model's own claims moderately well (AUROC 0.58--0.83). We further show that OI is task-dependent (27%--59%) and that, in a multi-turn pilot, inferred attributes accumulate approximately linearly with little revision. MirageBench positions external verification, rather than model self-report, as a more reliable foundation for trustworthy personalization.

Out-of-distribution (OOD) detection is critical to ensure the safe deployment of deep learning models in critical applications. Deep learning models can often misidentify OOD samples as in-distribution (ID) samples. This vulnerability worsens in the presence of spurious correlation in the training set. Likewise, in fine-grained classification settings, detection of fine-grained OOD samples becomes inherently challenging due to their high similarity to ID samples. However, current research on OOD detection has largely ignored these challenging scenarios, focusing instead on relatively easier (conventional) cases. In this work, we present a unified Approach to Spurious, fine-grained, and Conventional OOD Detection (ASCOOD). First, we propose synthesizing virtual outliers from ID data by approximating the destruction of invariant features. To this end, we identify invariant features with the pixel attribution method using the model being learned. This approach eliminates the burden of curating external OOD datasets. Then, we simultaneously incentivize ID classification and predictive uncertainty towards virtual outliers leveraging standardized feature representation. Our approach effectively mitigates the impact of spurious correlations and encourages capturing fine-grained attributes. Extensive experiments across seven datasets demonstrate the merit of ASCOOD in spurious, fine-grained, and conventional settings. The code is available at: https://github.com/sudarshanregmi/ASCOOD/

The visual models pretrained on large-scale benchmarks encode general knowledge and prove effective in building more powerful representations for downstream tasks. Most existing approaches follow the fine-tuning paradigm, either by initializing or regularizing the downstream model based on the pretrained one. The former fails to retain the knowledge in the successive fine-tuning phase, thereby prone to be over-fitting, and the latter imposes strong constraints to the weights or feature maps of the downstream model without considering semantic drift, often incurring insufficient optimization. To deal with these issues, we propose a novel fine-tuning framework, namely distribution regularization with semantic calibration (DR-Tune). It employs distribution regularization by enforcing the downstream task head to decrease its classification error on the pretrained feature distribution, which prevents it from over-fitting while enabling sufficient training of downstream encoders. Furthermore, to alleviate the interference by semantic drift, we develop the semantic calibration (SC) module to align the global shape and class centers of the pretrained and downstream feature distributions. Extensive experiments on widely used image classification datasets show that DR-Tune consistently improves the performance when combing with various backbones under different pretraining strategies. Code is available at: https://github.com/weeknan/DR-Tune.

The pretrain-finetune paradigm has shown outstanding performance on many applications of deep learning, where a model is pre-trained on a upstream large dataset (e.g. ImageNet), and is then fine-tuned to different downstream tasks. Though for most cases, the pre-training stage is conducted based on supervised methods, recent works on self-supervised pre-training have shown powerful transferability and even outperform supervised pre-training on multiple downstream tasks. It thus remains an open question how to better generalize supervised pre-training model to downstream tasks. In this paper, we argue that the worse transferability of existing supervised pre-training methods arise from the negligence of valuable intra-class semantic difference. This is because these methods tend to push images from the same class close to each other despite of the large diversity in their visual contents, a problem to which referred as "overfit of upstream tasks". To alleviate this problem, we propose a new supervised pre-training method based on Leave-One-Out K-Nearest-Neighbor, or LOOK for short. It relieves the problem of overfitting upstream tasks by only requiring each image to share its class label with most of its k nearest neighbors, thus allowing each class to exhibit a multi-mode distribution and consequentially preserving part of intra-class difference for better transferring to downstream tasks. We developed efficient implementation of the proposed method that scales well to large datasets. Experimental studies on multiple downstream tasks show that LOOK outperforms other state-of-the-art methods for supervised and self-supervised pre-training.

Out-of-Distribution (OOD) detection is critical for safe deployment; however, existing detectors often struggle to generalize across datasets of varying scales and model architectures, and some can incur high computational costs in real-world applications. Inspired by the phenomenon of Neural Collapse, we propose a versatile and efficient OOD detection method. Specifically, we re-characterize prior observations that in-distribution (ID) samples form clusters, demonstrating that, with appropriate centering, these clusters align closely with model weight vectors. Additionally, we reveal that ID features tend to expand into a simplex Equiangular Tight Frame, explaining the common observation that ID features are situated farther from the origin than OOD features. Incorporating both insights from Neural Collapse, our OOD detector leverages feature proximity to weight vectors and complements this approach by using feature norms to effectively filter out OOD samples. Extensive experiments on off-the-shelf models demonstrate the robustness of our OOD detector across diverse scenarios, mitigating generalization discrepancies and enhancing overall performance, with inference latency comparable to that of the basic softmax-confidence detector. Code is available here: https://github.com/litianliu/NCI-OOD.

Large language models achieve strong performance across diverse tasks, but deployment remains costly because of memory, latency, and energy demands. Structured pruning reduces these costs by removing architectural components, yet its recovery stage is often limited by a mismatch between the recovery module's representational capacity and the complexity of the removed knowledge. We call this bottleneck the capacity-knowledge asymmetry and propose OverRep, an Overcomplete Reparameterization framework for structured LLM pruning. Following the principle of "train overcomplete, deploy compact", OverRep temporarily overparameterizes the recovery module during training to absorb complex knowledge distilled from the original model. After recovery, the overcomplete re-parameterization is algebraically merged into a mathematically equivalent compact module, preserving the pruned model's inference-time architecture and computational cost. OverRep further introduces an annealed activation that enables nonlinear training dynamics while converging to a linear regime for exact algebraic merging. Across three backbone families, OverRep improves retained reasoning performance over strong recovery baselines by up to 5.5 and 8.4 points at 25% and 50% pruning, respectively, while keeping memory usage and TFLOPs comparable to existing recovery methods. Our code is available at https://github.com/mmai-laboratory/OverRep.

Large Reasoning Models(LRMs) such as OpenAI o1 and DeepSeek-R1 have shown remarkable reasoning capabilities by scaling test-time compute and generating long Chain-of-Thought(CoT). Distillation--post-training on LRMs-generated data--is a straightforward yet effective method to enhance the reasoning abilities of smaller models, but faces a critical bottleneck: we found that distilled long CoT data poses learning difficulty for small models and leads to the inheritance of biases (i.e. over-thinking) when using Supervised Fine-tuning(SFT) and Reinforcement Learning(RL) methods. To alleviate this bottleneck, we propose constructing tree-based CoT data from scratch via Monte Carlo Tree Search(MCTS). We then exploit a set of CoT-aware approaches, including Thoughts Length Balance, Fine-grained DPO, and Joint Post-training Objective, to enhance SFT and RL on the construted data.

Training deep neural networks for classification often includes minimizing the training loss beyond the zero training error point. In this phase of training, a "neural collapse" behavior has been observed: the variability of features (outputs of the penultimate layer) of within-class samples decreases and the mean features of different classes approach a certain tight frame structure. Recent works analyze this behavior via idealized unconstrained features models where all the minimizers exhibit exact collapse. However, with practical networks and datasets, the features typically do not reach exact collapse, e.g., because deep layers cannot arbitrarily modify intermediate features that are far from being collapsed. In this paper, we propose a richer model that can capture this phenomenon by forcing the features to stay in the vicinity of a predefined features matrix (e.g., intermediate features). We explore the model in the small vicinity case via perturbation analysis and establish results that cannot be obtained by the previously studied models. For example, we prove reduction in the within-class variability of the optimized features compared to the predefined input features (via analyzing gradient flow on the "central-path" with minimal assumptions), analyze the minimizers in the near-collapse regime, and provide insights on the effect of regularization hyperparameters on the closeness to collapse. We support our theory with experiments in practical deep learning settings.

A collection of robust Mahalanobis distances for multivariate outlier detection is proposed, based on the notion of shrinkage. Robust intensity and scaling factors are optimally estimated to define the shrinkage. Some properties are investigated, such as affine equivariance and breakdown value. The performance of the proposal is illustrated through the comparison to other techniques from the literature, in a simulation study and with a real dataset. The behavior when the underlying distribution is heavy-tailed or skewed, shows the appropriateness of the method when we deviate from the common assumption of normality. The resulting high correct detection rates and low false detection rates in the vast majority of cases, as well as the significantly smaller computation time shows the advantages of our proposal.

We introduce four new real-world distribution shift datasets consisting of changes in image style, image blurriness, geographic location, camera operation, and more. With our new datasets, we take stock of previously proposed methods for improving out-of-distribution robustness and put them to the test. We find that using larger models and artificial data augmentations can improve robustness on real-world distribution shifts, contrary to claims in prior work. We find improvements in artificial robustness benchmarks can transfer to real-world distribution shifts, contrary to claims in prior work. Motivated by our observation that data augmentations can help with real-world distribution shifts, we also introduce a new data augmentation method which advances the state-of-the-art and outperforms models pretrained with 1000 times more labeled data. Overall we find that some methods consistently help with distribution shifts in texture and local image statistics, but these methods do not help with some other distribution shifts like geographic changes. Our results show that future research must study multiple distribution shifts simultaneously, as we demonstrate that no evaluated method consistently improves robustness.

Training compute is increasingly outpacing the availability of high-quality data. This shifts the central challenge from optimal compute allocation to extracting maximum value from limited data. The widely adopted Chinchilla scaling law assumes every training token is unique. This limits its ability to guide pretraining decisions in data-constrained regimes. We model the excess loss under repetition with a simple additive overfitting penalty and find that it accurately describes model behavior. Our scaling law yields qualitatively new compute-optimal allocation advice. Beyond a point, further repetition is counterproductive and compute is better spent on model capacity. We show that following our law's recommended configuration improves performance in data-constrained regimes. Finally, because our one-parameter form isolates overfitting in a single coefficient, it enables direct comparison across training configurations. As a case study, we show that strong weight decay (λ=1.0) reduces this coefficient by approximately 70%, providing a scaling-law explanation for recent findings that optimal weight decay in data-constrained regimes is an order of magnitude larger than standard practice.

It is well-known that the performance of well-trained deep neural networks may degrade significantly when they are applied to data with even slightly shifted distributions. Recent studies have shown that introducing certain perturbation on feature statistics (\eg, mean and standard deviation) during training can enhance the cross-domain generalization ability. Existing methods typically conduct such perturbation by utilizing the feature statistics within a mini-batch, limiting their representation capability. Inspired by the domain generalization objective, we introduce a novel Adversarial Style Augmentation (ASA) method, which explores broader style spaces by generating more effective statistics perturbation via adversarial training. Specifically, we first search for the most sensitive direction and intensity for statistics perturbation by maximizing the task loss. By updating the model against the adversarial statistics perturbation during training, we allow the model to explore the worst-case domain and hence improve its generalization performance. To facilitate the application of ASA, we design a simple yet effective module, namely AdvStyle, which instantiates the ASA method in a plug-and-play manner. We justify the efficacy of AdvStyle on tasks of cross-domain classification and instance retrieval. It achieves higher mean accuracy and lower performance fluctuation. Especially, our method significantly outperforms its competitors on the PACS dataset under the single source generalization setting, \eg, boosting the classification accuracy from 61.2\% to 67.1\% with a ResNet50 backbone. Our code will be available at https://github.com/YBZh/AdvStyle.

While implicit regularization facilitates benign overfitting in low-noise regimes, recent theoretical work predicts a sharp phase transition to harmful overfitting as the noise-to-signal ratio increases. We experimentally isolate the geometric mechanism of this transition: the Malignant Tail, a failure mode where networks functionally segregate signal and noise, reducing coherent semantic features into low-rank subspaces while pushing stochastic label noise into high-frequency orthogonal components, distinct from systematic or corruption-aligned noise. Through a Spectral Linear Probe of training dynamics, we demonstrate that Stochastic Gradient Descent (SGD) fails to suppress this noise, instead implicitly biasing it toward high-frequency orthogonal subspaces, effectively preserving signal-noise separability. We show that this geometric separation is distinct from simple variance reduction in untrained models. In trained networks, SGD actively segregates noise, allowing post-hoc Explicit Spectral Truncation (d << D) to surgically prune the noise-dominated subspace. This approach recovers the optimal generalization capability latent in the converged model. Unlike unstable temporal early stopping, Geometric Truncation provides a stable post-hoc intervention. Our findings suggest that under label noise, excess spectral capacity is not harmless redundancy but a latent structural liability that allows for noise memorization, necessitating explicit rank constraints to filter stochastic corruptions for robust generalization.

LLMs are now embedded in a wide range of everyday scenarios. However, their inherent hallucinations risk hiding misinformation in fluent responses, raising concerns about overreliance on AI. Detecting overreliance is challenging, as it often arises in complex, dynamic contexts and cannot be easily captured by post-hoc task outcomes. In this work, we aim to investigate how users' behavioral patterns correlate with overreliance. We collected interaction logs from 77 participants working with an LLM injected plausible misinformation across three real-world tasks and we assessed overreliance by whether participants detected and corrected these errors. By semantically encoding and clustering segments of user interactions, we identified five behavioral patterns linked to overreliance: users with low overreliance show careful task comprehension and fine-grained navigation; users with high overreliance show frequent copy-paste, skipping initial comprehension, repeated LLM references, coarse locating, and accepting misinformation despite hesitation. We discuss design implications for mitigation.

Object detection performance, as measured on the canonical PASCAL VOC dataset, has plateaued in the last few years. The best-performing methods are complex ensemble systems that typically combine multiple low-level image features with high-level context. In this paper, we propose a simple and scalable detection algorithm that improves mean average precision (mAP) by more than 30% relative to the previous best result on VOC 2012---achieving a mAP of 53.3%. Our approach combines two key insights: (1) one can apply high-capacity convolutional neural networks (CNNs) to bottom-up region proposals in order to localize and segment objects and (2) when labeled training data is scarce, supervised pre-training for an auxiliary task, followed by domain-specific fine-tuning, yields a significant performance boost. Since we combine region proposals with CNNs, we call our method R-CNN: Regions with CNN features. We also compare R-CNN to OverFeat, a recently proposed sliding-window detector based on a similar CNN architecture. We find that R-CNN outperforms OverFeat by a large margin on the 200-class ILSVRC2013 detection dataset. Source code for the complete system is available at http://www.cs.berkeley.edu/~rbg/rcnn.

This paper studies the prediction of a target z from a pair of random variables (x,y), where the ground-truth predictor is additive E[z mid x,y] = f_star(x) +g_{star}(y). We study the performance of empirical risk minimization (ERM) over functions f+g, f in F and g in G, fit on a given training distribution, but evaluated on a test distribution which exhibits covariate shift. We show that, when the class F is "simpler" than G (measured, e.g., in terms of its metric entropy), our predictor is more resilient to heterogenous covariate shifts in which the shift in x is much greater than that in y. These results rely on a novel H\"older style inequality for the Dudley integral which may be of independent interest. Moreover, we corroborate our theoretical findings with experiments demonstrating improved resilience to shifts in "simpler" features across numerous domains.

Modern language models can imitate complex patterns through few-shot learning, enabling them to complete challenging tasks without fine-tuning. However, imitation can also lead models to reproduce inaccuracies or harmful content if present in the context. We study harmful imitation through the lens of a model's internal representations, and identify two related phenomena: "overthinking" and "false induction heads". The first phenomenon, overthinking, appears when we decode predictions from intermediate layers, given correct vs. incorrect few-shot demonstrations. At early layers, both demonstrations induce similar model behavior, but the behavior diverges sharply at some "critical layer", after which the accuracy given incorrect demonstrations progressively decreases. The second phenomenon, false induction heads, are a possible mechanistic cause of overthinking: these are heads in late layers that attend to and copy false information from previous demonstrations, and whose ablation reduces overthinking. Beyond scientific understanding, our results suggest that studying intermediate model computations could be a promising avenue for understanding and guarding against harmful model behaviors.

Simplicity bias is the concerning tendency of deep networks to over-depend on simple, weakly predictive features, to the exclusion of stronger, more complex features. This is exacerbated in real-world applications by limited training data and spurious feature-label correlations, leading to biased, incorrect predictions. We propose a direct, interventional method for addressing simplicity bias in DNNs, which we call the feature sieve. We aim to automatically identify and suppress easily-computable spurious features in lower layers of the network, thereby allowing the higher network levels to extract and utilize richer, more meaningful representations. We provide concrete evidence of this differential suppression & enhancement of relevant features on both controlled datasets and real-world images, and report substantial gains on many real-world debiasing benchmarks (11.4% relative gain on Imagenet-A; 3.2% on BAR, etc). Crucially, we do not depend on prior knowledge of spurious attributes or features, and in fact outperform many baselines that explicitly incorporate such information. We believe that our feature sieve work opens up exciting new research directions in automated adversarial feature extraction and representation learning for deep networks.

Deep neural networks are susceptible to generating overconfident yet erroneous predictions when presented with data beyond known concepts. This challenge underscores the importance of detecting out-of-distribution (OOD) samples in the open world. In this work, we propose a novel feature-space OOD detection score based on class-specific and class-agnostic information. Specifically, the approach utilizes Whitened Linear Discriminant Analysis to project features into two subspaces - the discriminative and residual subspaces - for which the in-distribution (ID) classes are maximally separated and closely clustered, respectively. The OOD score is then determined by combining the deviation from the input data to the ID pattern in both subspaces. The efficacy of our method, named WDiscOOD, is verified on the large-scale ImageNet-1k benchmark, with six OOD datasets that cover a variety of distribution shifts. WDiscOOD demonstrates superior performance on deep classifiers with diverse backbone architectures, including CNN and vision transformer. Furthermore, we also show that WDiscOOD more effectively detects novel concepts in representation spaces trained with contrastive objectives, including supervised contrastive loss and multi-modality contrastive loss.

Neural networks require a careful design in order to perform properly on a given task. In particular, selecting a good activation function (possibly in a data-dependent fashion) is a crucial step, which remains an open problem in the research community. Despite a large amount of investigations, most current implementations simply select one fixed function from a small set of candidates, which is not adapted during training, and is shared among all neurons throughout the different layers. However, neither two of these assumptions can be supposed optimal in practice. In this paper, we present a principled way to have data-dependent adaptation of the activation functions, which is performed independently for each neuron. This is achieved by leveraging over past and present advances on cubic spline interpolation, allowing for local adaptation of the functions around their regions of use. The resulting algorithm is relatively cheap to implement, and overfitting is counterbalanced by the inclusion of a novel damping criterion, which penalizes unwanted oscillations from a predefined shape. Experimental results validate the proposal over two well-known benchmarks.

Catastrophic overfitting (CO) in single-step adversarial training (AT) results in abrupt drops in the adversarial test accuracy (even down to 0%). For models trained with multi-step AT, it has been observed that the loss function behaves locally linearly with respect to the input, this is however lost in single-step AT. To address CO in single-step AT, several methods have been proposed to enforce local linearity of the loss via regularization. However, these regularization terms considerably slow down training due to Double Backpropagation. Instead, in this work, we introduce a regularization term, called ELLE, to mitigate CO effectively and efficiently in classical AT evaluations, as well as some more difficult regimes, e.g., large adversarial perturbations and long training schedules. Our regularization term can be theoretically linked to curvature of the loss function and is computationally cheaper than previous methods by avoiding Double Backpropagation. Our thorough experimental validation demonstrates that our work does not suffer from CO, even in challenging settings where previous works suffer from it. We also notice that adapting our regularization parameter during training (ELLE-A) greatly improves the performance, specially in large epsilon setups. Our implementation is available in https://github.com/LIONS-EPFL/ELLE .

While deep learning models have shown remarkable performance in various tasks, they are susceptible to learning non-generalizable spurious features rather than the core features that are genuinely correlated to the true label. In this paper, beyond existing analyses of linear models, we theoretically examine the learning process of a two-layer nonlinear convolutional neural network in the presence of spurious features. Our analysis suggests that imbalanced data groups and easily learnable spurious features can lead to the dominance of spurious features during the learning process. In light of this, we propose a new training algorithm called PDE that efficiently enhances the model's robustness for a better worst-group performance. PDE begins with a group-balanced subset of training data and progressively expands it to facilitate the learning of the core features. Experiments on synthetic and real-world benchmark datasets confirm the superior performance of our method on models such as ResNets and Transformers. On average, our method achieves a 2.8% improvement in worst-group accuracy compared with the state-of-the-art method, while enjoying up to 10x faster training efficiency.

Spurious bias, a tendency to exploit spurious correlations between superficial input attributes and prediction targets, has revealed a severe robustness pitfall in classical machine learning problems. Multimodal Large Language Models (MLLMs), which leverage pretrained vision and language models, have recently demonstrated strong capability in joint vision-language understanding. However, both the presence and severity of spurious biases in MLLMs remain poorly understood. In this work, we address this gap by analyzing the spurious biases in the multimodal setting and uncovering the specific inference-time data patterns that can manifest this problem. To support this analysis, we introduce MM-SpuBench, a comprehensive, human-verified benchmark dataset consisting of image-class pairs annotated with core and spurious attributes, grounded in our taxonomy of nine distinct types of spurious correlations. The benchmark is constructed using human-interpretable attribute information to capture a wide range of spurious patterns reflective of real-world knowledge. Leveraging this benchmark, we conduct a comprehensive evaluation of the state-of-the-art open-source and proprietary MLLMs with both standard accuracy and the proposed Conditional Generation Likelihood Advantage (CGLA). Our findings highlight the persistence of reliance on spurious correlations and the difficulty of mitigation on our benchmark. We hope this work can inspire new technical strides to mitigate these biases. Our benchmark is publicly available at https://huggingface.co/datasets/mmbench/MM-SpuBench.

Learning representations that generalize under distribution shifts is critical for building robust machine learning models. However, despite significant efforts in recent years, algorithmic advances in this direction have been limited. In this work, we seek to understand the fundamental difficulty of out-of-distribution generalization with deep neural networks. We first empirically show that perhaps surprisingly, even allowing a neural network to explicitly fit the representations obtained from a teacher network that can generalize out-of-distribution is insufficient for the generalization of the student network. Then, by a theoretical study of two-layer ReLU networks optimized by stochastic gradient descent (SGD) under a structured feature model, we identify a fundamental yet unexplored feature learning proclivity of neural networks, feature contamination: neural networks can learn uncorrelated features together with predictive features, resulting in generalization failure under distribution shifts. Notably, this mechanism essentially differs from the prevailing narrative in the literature that attributes the generalization failure to spurious correlations. Overall, our results offer new insights into the non-linear feature learning dynamics of neural networks and highlight the necessity of considering inductive biases in out-of-distribution generalization.

Pre-trained Vision Foundation Models (VFMs) have become central to modern computer vision due to their powerful semantic representations and strong generalization ability. However, their patchified or pooled outputs are inherently low-resolution, limiting their effectiveness in tasks requiring fine-grained, pixel-level reasoning. Existing feature upsampling approaches either degrade semantic fidelity or rely on VFM-specific retraining and heavy architectures, hindering efficiency and scalability. To address these challenges, we propose RaysUp, an ultra-lightweight, task-agnostic, and VFM-agnostic feature upsampling framework that reconstructs high-resolution feature maps at arbitrary resolutions. Unlike conventional 2D interpolation or attention-based schemes, RaysUp lifts feature reconstruction into a geometry-aware ray domain. Specifically, we introduce a Spatially Decoupled Guidance Encoder for direction-aware guidance encoding, an Any-Resolution Cross-Attention mechanism for resolution-flexible reconstruction, and a novel Ray Positional Encoding (RayPE) that injects implicit 3D geometric priors via 6D Plucker ray coordinates. Finally, a Geometry-Aware Neighborhood Attention module further ensures content-adaptive bilateral aggregation while preserving geometric consistency. Extensive experiments across diverse dense prediction tasks demonstrate that RaysUp achieves state-of-the-art performance while using only 16% of the parameters of AnyUp and delivering approximately 7x faster inference. These results highlight a substantially improved accuracy-efficiency trade-off and establish RaysUp as a practical and scalable solution for universal feature upsampling. Code is available at https://github.com/MAP-RaysUp/RaysUp.

Modern machine learning models deployed in the wild can encounter both covariate and semantic shifts, giving rise to the problems of out-of-distribution (OOD) generalization and OOD detection respectively. While both problems have received significant research attention lately, they have been pursued independently. This may not be surprising, since the two tasks have seemingly conflicting goals. This paper provides a new unified approach that is capable of simultaneously generalizing to covariate shifts while robustly detecting semantic shifts. We propose a margin-based learning framework that exploits freely available unlabeled data in the wild that captures the environmental test-time OOD distributions under both covariate and semantic shifts. We show both empirically and theoretically that the proposed margin constraint is the key to achieving both OOD generalization and detection. Extensive experiments show the superiority of our framework, outperforming competitive baselines that specialize in either OOD generalization or OOD detection. Code is publicly available at https://github.com/deeplearning-wisc/scone.

The crux of effective out-of-distribution (OOD) detection lies in acquiring a robust in-distribution (ID) representation, distinct from OOD samples. While previous methods predominantly leaned on recognition-based techniques for this purpose, they often resulted in shortcut learning, lacking comprehensive representations. In our study, we conducted a comprehensive analysis, exploring distinct pretraining tasks and employing various OOD score functions. The results highlight that the feature representations pre-trained through reconstruction yield a notable enhancement and narrow the performance gap among various score functions. This suggests that even simple score functions can rival complex ones when leveraging reconstruction-based pretext tasks. Reconstruction-based pretext tasks adapt well to various score functions. As such, it holds promising potential for further expansion. Our OOD detection framework, MOODv2, employs the masked image modeling pretext task. Without bells and whistles, MOODv2 impressively enhances 14.30% AUROC to 95.68% on ImageNet and achieves 99.98% on CIFAR-10.

Grokking, the sudden generalization that occurs after prolonged overfitting, is a surprising phenomenon challenging our understanding of deep learning. Although significant progress has been made in understanding grokking, the reasons behind the delayed generalization and its dependence on regularization remain unclear. In this work, we argue that without regularization, grokking tasks push models to the edge of numerical stability, introducing floating point errors in the Softmax function, which we refer to as Softmax Collapse (SC). We demonstrate that SC prevents grokking and that mitigating SC enables grokking without regularization. Investigating the root cause of SC, we find that beyond the point of overfitting, the gradients strongly align with what we call the na\"ive loss minimization (NLM) direction. This component of the gradient does not alter the model's predictions but decreases the loss by scaling the logits, typically by scaling the weights along their current direction. We show that this scaling of the logits explains the delay in generalization characteristic of grokking and eventually leads to SC, halting further learning. To validate our hypotheses, we introduce two key contributions that address the challenges in grokking tasks: StableMax, a new activation function that prevents SC and enables grokking without regularization, and perpGrad, a training algorithm that promotes quick generalization in grokking tasks by preventing NLM altogether. These contributions provide new insights into grokking, elucidating its delayed generalization, reliance on regularization, and the effectiveness of existing grokking-inducing methods. Code for this paper is available at https://github.com/LucasPrietoAl/grokking-at-the-edge-of-numerical-stability.

We present Upsample Anything, a lightweight test-time optimization (TTO) framework that restores low-resolution features to high-resolution, pixel-wise outputs without any training. Although Vision Foundation Models demonstrate strong generalization across diverse downstream tasks, their representations are typically downsampled by 14x/16x (e.g., ViT), which limits their direct use in pixel-level applications. Existing feature upsampling approaches depend on dataset-specific retraining or heavy implicit optimization, restricting scalability and generalization. Upsample Anything addresses these issues through a simple per-image optimization that learns an anisotropic Gaussian kernel combining spatial and range cues, effectively bridging Gaussian Splatting and Joint Bilateral Upsampling. The learned kernel acts as a universal, edge-aware operator that transfers seamlessly across architectures and modalities, enabling precise high-resolution reconstruction of features, depth, or probability maps. It runs in only approx0.419 s per 224x224 image and achieves state-of-the-art performance on semantic segmentation, depth estimation, and both depth and probability map upsampling. Project page: https://seominseok0429.github.io/Upsample-Anything/{https://seominseok0429.github.io/Upsample-Anything/}

An approach to the construction of classifiers from imbalanced datasets is described. A dataset is imbalanced if the classification categories are not approximately equally represented. Often real-world data sets are predominately composed of "normal" examples with only a small percentage of "abnormal" or "interesting" examples. It is also the case that the cost of misclassifying an abnormal (interesting) example as a normal example is often much higher than the cost of the reverse error. Under-sampling of the majority (normal) class has been proposed as a good means of increasing the sensitivity of a classifier to the minority class. This paper shows that a combination of our method of over-sampling the minority (abnormal) class and under-sampling the majority (normal) class can achieve better classifier performance (in ROC space) than only under-sampling the majority class. This paper also shows that a combination of our method of over-sampling the minority class and under-sampling the majority class can achieve better classifier performance (in ROC space) than varying the loss ratios in Ripper or class priors in Naive Bayes. Our method of over-sampling the minority class involves creating synthetic minority class examples. Experiments are performed using C4.5, Ripper and a Naive Bayes classifier. The method is evaluated using the area under the Receiver Operating Characteristic curve (AUC) and the ROC convex hull strategy.

It is impossible today to pretend that the practice of machine learning is compatible with the idea that training and testing data follow the same distribution. Several authors have recently used ensemble techniques to show how scenarios involving multiple data distributions are best served by representations that are both richer than those obtained by regularizing for the best in-distribution performance, and richer than those obtained under the influence of the implicit sparsity bias of common stochastic gradient procedures. This contribution investigates the use of very high dropout rates instead of ensembles to obtain such rich representations. Although training a deep network from scratch using such dropout rates is virtually impossible, fine-tuning a large pre-trained model under such conditions is not only possible but also achieves out-of-distribution performances that exceed those of both ensembles and weight averaging methods such as model soups. This result has practical significance because the importance of the fine-tuning scenario has considerably grown in recent years. This result also provides interesting insights on the nature of rich representations and on the intrinsically linear nature of fine-tuning a large network using a comparatively small dataset.

Large reasoning models (LRMs) have achieved impressive performance in complex tasks, often outperforming conventional large language models (LLMs). However, the prevalent issue of overthinking severely limits their computational efficiency. Overthinking occurs when models generate excessive and redundant tokens that contribute little to accurate outcomes, especially in simple tasks, resulting in a significant waste of computational resources. To systematically investigate this issue, we introduce Think-Bench, a benchmark designed to evaluate the reasoning efficiency of LRMs. We also propose novel efficiency metrics and conduct a comprehensive evaluation of various LRMs across multiple dimensions, including the reasoning process, outcome quality, and chain-of-thought (CoT) characteristics. Our analysis reveals that most LRMs exhibit overthinking in handling easy questions, generating unnecessarily lengthy reasoning chains. While many LRMs demonstrate high CoT quality, several suffer from low efficiency. We hope that Think-Bench can serve as a robust foundation for advancing research into LRMs.

In this research, we aim to compare the performance of different classical machine learning models and neural networks in identifying the frequency of occurrence of each digit in a given number. It has various applications in machine learning and computer vision, e.g. for obtaining the frequency of a target object in a visual scene. We considered this problem as a hybrid of classification and regression tasks. We carefully create our own datasets to observe systematic differences between different methods. We evaluate each of the methods using different metrics across multiple datasets.The metrics of performance used were the root mean squared error and mean absolute error for regression evaluation, and accuracy for classification performance evaluation. We observe that decision trees and random forests overfit to the dataset, due to their inherent bias, and are not able to generalize well. We also observe that the neural networks significantly outperform the classical machine learning models in terms of both the regression and classification metrics for both the 6-digit and 10-digit number datasets. Dataset and code are available on github.

In this research. we analyze the potential of Feature Density (HD) as a way to comparatively estimate machine learning (ML) classifier performance prior to training. The goal of the study is to aid in solving the problem of resource-intensive training of ML models which is becoming a serious issue due to continuously increasing dataset sizes and the ever rising popularity of Deep Neural Networks (DNN). The issue of constantly increasing demands for more powerful computational resources is also affecting the environment, as training large-scale ML models are causing alarmingly-growing amounts of CO2, emissions. Our approach 1s to optimize the resource-intensive training of ML models for Natural Language Processing to reduce the number of required experiments iterations. We expand on previous attempts on improving classifier training efficiency with FD while also providing an insight to the effectiveness of various linguistically-backed feature preprocessing methods for dialog classification, specifically cyberbullying detection.

Deep neural networks are often seen as different from other model classes by defying conventional notions of generalization. Popular examples of anomalous generalization behaviour include benign overfitting, double descent, and the success of overparametrization. We argue that these phenomena are not distinct to neural networks, or particularly mysterious. Moreover, this generalization behaviour can be intuitively understood, and rigorously characterized, using long-standing generalization frameworks such as PAC-Bayes and countable hypothesis bounds. We present soft inductive biases as a key unifying principle in explaining these phenomena: rather than restricting the hypothesis space to avoid overfitting, embrace a flexible hypothesis space, with a soft preference for simpler solutions that are consistent with the data. This principle can be encoded in many model classes, and thus deep learning is not as mysterious or different from other model classes as it might seem. However, we also highlight how deep learning is relatively distinct in other ways, such as its ability for representation learning, phenomena such as mode connectivity, and its relative universality.

Deep features extracted from certain layers of a pre-trained deep model show superior performance over the conventional hand-crafted features. Compared with fine-tuning or linear probing that can explore diverse augmentations, \eg, random crop/flipping, in the original input space, the appropriate augmentations for learning with fixed deep features are more challenging and have been less investigated, which degenerates the performance. To unleash the potential of fixed deep features, we propose a novel semantic adversarial augmentation (SeA) in the feature space for optimization. Concretely, the adversarial direction implied by the gradient will be projected to a subspace spanned by other examples to preserve the semantic information. Then, deep features will be perturbed with the semantic direction, and augmented features will be applied to learn the classifier. Experiments are conducted on 11 benchmark downstream classification tasks with 4 popular pre-trained models. Our method is 2% better than the deep features without SeA on average. Moreover, compared to the expensive fine-tuning that is expected to give good performance, SeA shows a comparable performance on 6 out of 11 tasks, demonstrating the effectiveness of our proposal in addition to its efficiency. Code is available at https://github.com/idstcv/SeA.

Convolutional neural networks are capable of learning powerful representational spaces, which are necessary for tackling complex learning tasks. However, due to the model capacity required to capture such representations, they are often susceptible to overfitting and therefore require proper regularization in order to generalize well. In this paper, we show that the simple regularization technique of randomly masking out square regions of input during training, which we call cutout, can be used to improve the robustness and overall performance of convolutional neural networks. Not only is this method extremely easy to implement, but we also demonstrate that it can be used in conjunction with existing forms of data augmentation and other regularizers to further improve model performance. We evaluate this method by applying it to current state-of-the-art architectures on the CIFAR-10, CIFAR-100, and SVHN datasets, yielding new state-of-the-art results of 2.56%, 15.20%, and 1.30% test error respectively. Code is available at https://github.com/uoguelph-mlrg/Cutout

Standard training datasets for deep learning often contain objects in common settings (e.g., "a horse on grass" or "a ship in water") since they are usually collected by randomly scraping the web. Uncommon and rare settings (e.g., "a plane on water", "a car in snowy weather") are thus severely under-represented in the training data. This can lead to an undesirable bias in model predictions towards common settings and create a false sense of accuracy. In this paper, we introduce FOCUS (Familiar Objects in Common and Uncommon Settings), a dataset for stress-testing the generalization power of deep image classifiers. By leveraging the power of modern search engines, we deliberately gather data containing objects in common and uncommon settings in a wide range of locations, weather conditions, and time of day. We present a detailed analysis of the performance of various popular image classifiers on our dataset and demonstrate a clear drop in performance when classifying images in uncommon settings. By analyzing deep features of these models, we show that such errors can be due to the use of spurious features in model predictions. We believe that our dataset will aid researchers in understanding the inability of deep models to generalize well to uncommon settings and drive future work on improving their distributional robustness.

Deep neural network pruning and quantization techniques have demonstrated it is possible to achieve high levels of compression with surprisingly little degradation to test set accuracy. However, this measure of performance conceals significant differences in how different classes and images are impacted by model compression techniques. We find that models with radically different numbers of weights have comparable top-line performance metrics but diverge considerably in behavior on a narrow subset of the dataset. This small subset of data points, which we term Pruning Identified Exemplars (PIEs) are systematically more impacted by the introduction of sparsity. Compression disproportionately impacts model performance on the underrepresented long-tail of the data distribution. PIEs over-index on atypical or noisy images that are far more challenging for both humans and algorithms to classify. Our work provides intuition into the role of capacity in deep neural networks and the trade-offs incurred by compression. An understanding of this disparate impact is critical given the widespread deployment of compressed models in the wild.

Pretraining large language models (LLMs) is resource-intensive, often requiring months of training time even with high-end GPU clusters. There are two approaches of mitigating such computational demands: reusing smaller models to train larger ones (upcycling), and training computationally efficient models like mixture-of-experts (MoE). In this paper, we study the upcycling of LLMs to MoE models, of which the scaling behavior remains underexplored. Through extensive experiments, we identify empirical scaling laws that describe how performance depends on dataset size and model configuration. Particularly, we show that, while scaling these factors improves performance, there is a novel interaction term between the dense and upcycled training dataset that limits the efficiency of upcycling at large computational budgets. Based on these findings, we provide guidance to scale upcycling, and establish conditions under which upcycling outperforms from-scratch trainings within budget constraints.

Chain-of-Thought (CoT) reasoning has driven recent gains of large language models (LLMs) on reasoning-intensive tasks by externalizing intermediate steps. However, excessive or redundant reasoning -- so-called overthinking -- can increase inference costs and lead LLMs toward incorrect conclusions. In this paper, we present REFRAIN (REFlective-Redundancy for Adaptive INference), a training-free framework that adaptively determines when to stop reasoning to mitigate overthinking. REFRAIN integrates a two-stage stop discriminator to identify reflective yet redundant reasoning and a sliding-window Upper Confidence Bound (SW-UCB) multi-armed bandit controller to dynamically adjust stopping thresholds according to problem difficulty without supervision or fine-tuning. Across four representative benchmarks and two model families, REFRAIN reduces token usage by 20-55% while maintaining or improving accuracy compared to standard CoT prompting. Extensive ablation and robustness analyses demonstrate its stability across models, scorers, and prompt variations. In summary, our findings highlight when-to-stop as a new and practical axis of test-time scaling -- enabling models to reason not just more, but just enough.

Survey data can contain a high number of features while having a comparatively low quantity of examples. Machine learning models that attempt to predict outcomes from survey data under these conditions can overfit and result in poor generalizability. One remedy to this issue is feature selection, which attempts to select an optimal subset of features to learn upon. A relatively unexplored source of information in the feature selection process is the usage of textual names of features, which may be semantically indicative of which features are relevant to a target outcome. The relationships between feature names and target names can be evaluated using language models (LMs) to produce semantic textual similarity (STS) scores, which can then be used to select features. We examine the performance using STS to select features directly and in the minimal-redundancy-maximal-relevance (mRMR) algorithm. The performance of STS as a feature selection metric is evaluated against preliminary survey data collected as a part of a clinical study on persistent post-surgical pain (PPSP). The results suggest that features selected with STS can result in higher performance models compared to traditional feature selection algorithms.

Spurious correlations that degrade model generalization or lead the model to be right for the wrong reasons are one of the main robustness concerns for real-world deployments. However, mitigating these correlations during pre-training for large-scale models can be costly and impractical, particularly for those without access to high-performance computing resources. This paper proposes a novel approach to address spurious correlations during fine-tuning for a given domain of interest. With a focus on multi-modal models (e.g., CLIP), the proposed method leverages different modalities in these models to detect and explicitly set apart spurious attributes from the affected class, achieved through a multi-modal contrastive loss function that expresses spurious relationships through language. Our experimental results and in-depth visualizations on CLIP show that such an intervention can effectively i) improve the model's accuracy when spurious attributes are not present, and ii) directs the model's activation maps towards the actual class rather than the spurious attribute when present. In particular, on the Waterbirds dataset, our algorithm achieved a worst-group accuracy 23% higher than ERM on CLIP with a ResNet-50 backbone, and 32% higher on CLIP with a ViT backbone, while maintaining the same average accuracy as ERM.

The task of out-of-distribution (OOD) detection is notoriously ill-defined. Earlier works focused on new-class detection, aiming to identify label-altering data distribution shifts, also known as "semantic shift." However, recent works argue for a focus on failure detection, expanding the OOD evaluation framework to account for label-preserving data distribution shifts, also known as "covariate shift." Intriguingly, under this new framework, complex OOD detectors that were previously considered state-of-the-art now perform similarly to, or even worse than the simple maximum softmax probability baseline. This raises the question: what are the latest OOD detectors actually detecting? Deciphering the behavior of OOD detection algorithms requires evaluation datasets that decouples semantic shift and covariate shift. To aid our investigations, we present ImageNet-OOD, a clean semantic shift dataset that minimizes the interference of covariate shift. Through comprehensive experiments, we show that OOD detectors are more sensitive to covariate shift than to semantic shift, and the benefits of recent OOD detection algorithms on semantic shift detection is minimal. Our dataset and analyses provide important insights for guiding the design of future OOD detectors.

Benchmark performance of deep learning classifiers alone is not a reliable predictor for the performance of a deployed model. In particular, if the image classifier has picked up spurious features in the training data, its predictions can fail in unexpected ways. In this paper, we develop a framework that allows us to systematically identify spurious features in large datasets like ImageNet. It is based on our neural PCA components and their visualization. Previous work on spurious features often operates in toy settings or requires costly pixel-wise annotations. In contrast, we work with ImageNet and validate our results by showing that presence of the harmful spurious feature of a class alone is sufficient to trigger the prediction of that class. We introduce the novel dataset "Spurious ImageNet" which allows to measure the reliance of any ImageNet classifier on harmful spurious features. Moreover, we introduce SpuFix as a simple mitigation method to reduce the dependence of any ImageNet classifier on previously identified harmful spurious features without requiring additional labels or retraining of the model. We provide code and data at https://github.com/YanNeu/spurious_imagenet .

Large language models (LLMs) excel across diverse tasks but face significant deployment challenges due to high inference costs. LLM inference comprises prefill (compute-bound) and decode (memory-bound) stages, with decode dominating latency particularly for long sequences. Current decoder-only models handle both stages uniformly, despite their distinct computational profiles. We propose OverFill, which decouples these stages to optimize accuracy-efficiency tradeoffs. OverFill begins with a full model for prefill, processing system and user inputs in parallel. It then switches to a dense pruned model, while generating tokens sequentially. Leveraging more compute during prefill, OverFill improves generation quality with minimal latency overhead. Our 3B-to-1B OverFill configuration outperforms 1B pruned models by 83.2%, while the 8B-to-3B configuration improves over 3B pruned models by 79.2% on average across standard benchmarks. OverFill matches the performance of same-sized models trained from scratch, while using significantly less training data. Our code is available at https://github.com/friendshipkim/overfill.

Parallel thinking enhances LLM reasoning by multi-path sampling and aggregation. In system-level evaluations, a global parallelism level N is allocated to all samples, typically set large to maximize overall dataset accuracy. However, due to sample heterogeneity, some samples can achieve comparable performance with a smaller N'< N, causing budget redundancy. This incompatibility between system-level efficacy and sample-level efficiency constitutes the overscaling curse. In this paper, we formalize and quantify the overscaling curse, showing its universality and severity in practice, and analyze its trigger mechanism. We then propose a lightweight method, T2, to break the overscaling curse, which utilizes latent representations to estimate the optimal parallelism level for each sample before decoding. Experiments show that T2 significantly reduces cost while maintaining comparable performance, enabling more efficient parallel thinking.

The feature maps of vision encoders are fundamental to myriad modern AI tasks, ranging from core perception algorithms (e.g. semantic segmentation, object detection, depth perception, etc.) to modern multimodal understanding in vision-language models (VLMs). Currently, in computer vision, the frontier of general purpose vision backbones is Vision Transformers (ViT), typically trained using contrastive loss (e.g. CLIP). A key problem with most off-the-shelf ViTs, particularly CLIP, is that these models are inflexibly low resolution. Most run at 224 times 224px, while the "high-resolution" versions are around 378-448px, but still inflexible. We introduce a novel method to coherently and cheaply upsample the feature maps of low-resolution vision encoders while picking up on fine-grained details that would otherwise be lost due to resolution. We demonstrate the effectiveness of this approach on core perception tasks as well as within agglomerative model training using RADIO as a way of providing richer targets for distillation. Code available at https://github.com/NVlabs/FeatSharp .

Modern neural networks are known to give overconfident prediction for out-of-distribution inputs when deployed in the open world. It is common practice to leverage a surrogate outlier dataset to regularize the model during training, and recent studies emphasize the role of uncertainty in designing the sampling strategy for outlier dataset. However, the OOD samples selected solely based on predictive uncertainty can be biased towards certain types, which may fail to capture the full outlier distribution. In this work, we empirically show that diversity is critical in sampling outliers for OOD detection performance. Motivated by the observation, we propose a straightforward and novel sampling strategy named DOS (Diverse Outlier Sampling) to select diverse and informative outliers. Specifically, we cluster the normalized features at each iteration, and the most informative outlier from each cluster is selected for model training with absent category loss. With DOS, the sampled outliers efficiently shape a globally compact decision boundary between ID and OOD data. Extensive experiments demonstrate the superiority of DOS, reducing the average FPR95 by up to 25.79% on CIFAR-100 with TI-300K.

Classification tasks often suffer from imbal- anced data distribution, which presents chal- lenges in food hazard detection due to severe class imbalances, short and unstructured text, and overlapping semantic categories. In this paper, we present our system for SemEval- 2025 Task 9: Food Hazard Detection, which ad- dresses these issues by applying data augmenta- tion techniques to improve classification perfor- mance. We utilize transformer-based models, BERT and RoBERTa, as backbone classifiers and explore various data balancing strategies, including random oversampling, Easy Data Augmentation (EDA), and focal loss. Our ex- periments show that EDA effectively mitigates class imbalance, leading to significant improve- ments in accuracy and F1 scores. Furthermore, combining focal loss with oversampling and EDA further enhances model robustness, par- ticularly for hard-to-classify examples. These findings contribute to the development of more effective NLP-based classification models for food hazard detection.