Daily Papers

Line detection is a basic digital image processing operation used by higher-level processing methods. Recently, transformer-based methods for line detection have proven to be more accurate than methods based on CNNs, at the expense of significantly lower inference speeds. As a result, video analysis methods that require low latencies cannot benefit from current transformer-based methods for line detection. In addition, current transformer-based models require pretraining attention mechanisms on large datasets (e.g., COCO or Object360). This paper develops a new transformer-based method that is significantly faster without requiring pretraining the attention mechanism on large datasets. We eliminate the need to pre-train the attention mechanism using a new mechanism, Deformable Line Attention (DLA). We use the term LINEA to refer to our new transformer-based method based on DLA. Extensive experiments show that LINEA is significantly faster and outperforms previous models on sAP in out-of-distribution dataset testing.

We present OOD-Speech, the first out-of-distribution (OOD) benchmarking dataset for Bengali automatic speech recognition (ASR). Being one of the most spoken languages globally, Bengali portrays large diversity in dialects and prosodic features, which demands ASR frameworks to be robust towards distribution shifts. For example, islamic religious sermons in Bengali are delivered with a tonality that is significantly different from regular speech. Our training dataset is collected via massively online crowdsourcing campaigns which resulted in 1177.94 hours collected and curated from 22,645 native Bengali speakers from South Asia. Our test dataset comprises 23.03 hours of speech collected and manually annotated from 17 different sources, e.g., Bengali TV drama, Audiobook, Talk show, Online class, and Islamic sermons to name a few. OOD-Speech is jointly the largest publicly available speech dataset, as well as the first out-of-distribution ASR benchmarking dataset for Bengali.

Automated vulnerability detection research has made substantial progress, yet its real-world impact remains limited. Prior work found that current vulnerability datasets suffer from issues including label inaccuracy rates of 20%-71%, extensive duplication, and poor coverage of critical Common Weakness Enumeration (CWE). These issues create a significant generalization gap where models achieve misleading In-Distribution (ID) accuracies (testing on splits from the same dataset) by exploiting spurious correlations rather than learning true vulnerability patterns. To address these limitations, we present a three-part solution. First, we introduce BenchVul, which is a manually curated and balanced test dataset covering the MITRE Top 25 Most Dangerous CWEs, to enable fair model evaluation. Second, we construct a high-quality training dataset, TitanVul, comprising 38,548 functions by aggregating seven public sources and applying deduplication and validation using a novel multi-agent LLM pipeline. Third, we propose a Realistic Vulnerability Generation (RVG) pipeline, which synthesizes context-aware vulnerability examples for underrepresented but critical CWE types through simulated development workflows. Our evaluation reveals that In-Distribution (ID) performance does not reliably predict Out-of-Distribution (OOD) performance on BenchVul. For example, a model trained on BigVul achieves the highest 0.703 ID accuracy but fails on BenchVul's real-world samples (0.493 OOD accuracy). Conversely, a model trained on our TitanVul achieves the highest OOD performance on both the real-world (0.881) and synthesized (0.785) portions of BenchVul, improving upon the next-best performing dataset by 5.3% and 11.8% respectively, despite a modest ID score (0.590). Augmenting TitanVul with our RVG further boosts this leading OOD performance, improving accuracy on real-world data by 5.8% (to 0.932).

Pre-trained language models (PLMs) are known to improve the generalization performance of natural language understanding models by leveraging large amounts of data during the pre-training phase. However, the out-of-distribution (OOD) generalization problem remains a challenge in many NLP tasks, limiting the real-world deployment of these methods. This paper presents the first attempt at creating a unified benchmark named GLUE-X for evaluating OOD robustness in NLP models, highlighting the importance of OOD robustness and providing insights on how to measure the robustness of a model and how to improve it. The benchmark includes 13 publicly available datasets for OOD testing, and evaluations are conducted on 8 classic NLP tasks over 21 popularly used PLMs, including GPT-3 and GPT-3.5. Our findings confirm the need for improved OOD accuracy in NLP tasks, as significant performance degradation was observed in all settings compared to in-distribution (ID) accuracy.

Pre-training on large-scale datasets and then fine-tuning on downstream tasks have become a standard practice in deep learning. However, pre-training data often contain label noise that may adversely affect the generalization of the model. This paper aims to understand the nature of noise in pre-training datasets and to mitigate its impact on downstream tasks. More specifically, through extensive experiments of supervised pre-training models on synthetic noisy ImageNet-1K and YFCC15M datasets, we demonstrate that while slight noise in pre-training can benefit in-domain (ID) transfer performance, where the training and testing data share the same distribution, it always deteriorates out-of-domain (OOD) performance, where training and testing data distribution are different. We empirically verify that the reason behind is noise in pre-training shapes the feature space differently. We then propose a light-weight black-box tuning method (NMTune) to affine the feature space to mitigate the malignant effect of noise and improve generalization on both ID and OOD tasks, considering one may not be able to fully fine-tune or even access the pre-trained models. We conduct practical experiments on popular vision and language models that are pre-trained on noisy data for evaluation of our approach. Our analysis and results show the importance of this interesting and novel research direction, which we term Noisy Model Learning.

Accurate and generalizable object segmentation in ultrasound imaging remains a significant challenge due to anatomical variability, diverse imaging protocols, and limited annotated data. In this study, we propose a prompt-driven vision-language model (VLM) that integrates Grounding DINO with SAM2 to enable object segmentation across multiple ultrasound organs. A total of 18 public ultrasound datasets, encompassing the breast, thyroid, liver, prostate, kidney, and paraspinal muscle, were utilized. These datasets were divided into 15 for fine-tuning and validation of Grounding DINO using Low Rank Adaptation (LoRA) to the ultrasound domain, and 3 were held out entirely for testing to evaluate performance in unseen distributions. Comprehensive experiments demonstrate that our approach outperforms state-of-the-art segmentation methods, including UniverSeg, MedSAM, MedCLIP-SAM, BiomedParse, and SAMUS on most seen datasets while maintaining strong performance on unseen datasets without additional fine-tuning. These results underscore the promise of VLMs in scalable and robust ultrasound image analysis, reducing dependence on large, organ-specific annotated datasets. We will publish our code on code.sonography.ai after acceptance.

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.

Out-of-distribution (OOD) detection is the problem of identifying inputs which are unrelated to the in-distribution task. The OOD detection performance when the in-distribution (ID) is ImageNet-1K is commonly being tested on a small range of test OOD datasets. We find that most of the currently used test OOD datasets, including datasets from the open set recognition (OSR) literature, have severe issues: In some cases more than 50% of the dataset contains objects belonging to one of the ID classes. These erroneous samples heavily distort the evaluation of OOD detectors. As a solution, we introduce with NINCO a novel test OOD dataset, each sample checked to be ID free, which with its fine-grained range of OOD classes allows for a detailed analysis of an OOD detector's strengths and failure modes, particularly when paired with a number of synthetic "OOD unit-tests". We provide detailed evaluations across a large set of architectures and OOD detection methods on NINCO and the unit-tests, revealing new insights about model weaknesses and the effects of pretraining on OOD detection performance. We provide code and data at https://github.com/j-cb/NINCO.

Out-of-distribution (OOD) detection is a task that detects OOD samples during inference to ensure the safety of deployed models. However, conventional benchmarks have reached performance saturation, making it difficult to compare recent OOD detection methods. To address this challenge, we introduce three novel OOD detection benchmarks that enable a deeper understanding of method characteristics and reflect real-world conditions. First, we present ImageNet-X, designed to evaluate performance under challenging semantic shifts. Second, we propose ImageNet-FS-X for full-spectrum OOD detection, assessing robustness to covariate shifts (feature distribution shifts). Finally, we propose Wilds-FS-X, which extends these evaluations to real-world datasets, offering a more comprehensive testbed. Our experiments reveal that recent CLIP-based OOD detection methods struggle to varying degrees across the three proposed benchmarks, and none of them consistently outperforms the others. We hope the community goes beyond specific benchmarks and includes more challenging conditions reflecting real-world scenarios. The code is https://github.com/hoshi23/OOD-X-Benchmarks.

Out-of-distribution (OOD) detection aims to identify OOD inputs from unknown classes, which is important for the reliable deployment of machine learning models in the open world. Various scoring functions are proposed to distinguish it from in-distribution (ID) data. However, existing methods generally focus on excavating the discriminative information from a single input, which implicitly limits its representation dimension. In this work, we introduce a novel perspective, i.e., employing different common corruptions on the input space, to expand that. We reveal an interesting phenomenon termed confidence mutation, where the confidence of OOD data can decrease significantly under the corruptions, while the ID data shows a higher confidence expectation considering the resistance of semantic features. Based on that, we formalize a new scoring method, namely, Confidence aVerage (CoVer), which can capture the dynamic differences by simply averaging the scores obtained from different corrupted inputs and the original ones, making the OOD and ID distributions more separable in detection tasks. Extensive experiments and analyses have been conducted to understand and verify the effectiveness of CoVer. The code is publicly available at: https://github.com/tmlr-group/CoVer.

Out-of-distribution (OOD) detection aims to detect testing samples far away from the in-distribution (ID) training data, which is crucial for the safe deployment of machine learning models in the real world. Distance-based OOD detection methods have emerged with enhanced deep representation learning. They identify unseen OOD samples by measuring their distances from ID class centroids or prototypes. However, existing approaches learn the representation relying on oversimplified data assumptions, e.g, modeling ID data of each class with one centroid class prototype or using loss functions not designed for OOD detection, which overlook the natural diversities within the data. Naively enforcing data samples of each class to be compact around only one prototype leads to inadequate modeling of realistic data and limited performance. To tackle these issues, we propose PrototypicAl Learning with a Mixture of prototypes (PALM) which models each class with multiple prototypes to capture the sample diversities, and learns more faithful and compact samples embeddings to enhance OOD detection. Our method automatically identifies and dynamically updates prototypes, assigning each sample to a subset of prototypes via reciprocal neighbor soft assignment weights. PALM optimizes a maximum likelihood estimation (MLE) loss to encourage the sample embeddings to be compact around the associated prototypes, as well as a contrastive loss on all prototypes to enhance intra-class compactness and inter-class discrimination at the prototype level. Moreover, the automatic estimation of prototypes enables our approach to be extended to the challenging OOD detection task with unlabelled ID data. Extensive experiments demonstrate the superiority of PALM, achieving state-of-the-art average AUROC performance of 93.82 on the challenging CIFAR-100 benchmark. Code is available at https://github.com/jeff024/PALM.

When deploying machine learning models in high-stakes real-world environments such as health care, it is crucial to accurately assess the uncertainty concerning a model's prediction on abnormal inputs. However, there is a scarcity of literature analyzing this problem on medical data, especially on mixed-type tabular data such as Electronic Health Records. We close this gap by presenting a series of tests including a large variety of contemporary uncertainty estimation techniques, in order to determine whether they are able to identify out-of-distribution (OOD) patients. In contrast to previous work, we design tests on realistic and clinically relevant OOD groups, and run experiments on real-world medical data. We find that almost all techniques fail to achieve convincing results, partly disagreeing with earlier findings.

In many real-world applications, deployed models encounter inputs that differ from the data seen during training. Out-of-distribution detection identifies whether an input stems from an unseen distribution, while open-world recognition flags such inputs to ensure the system remains robust as ever-emerging, previously unknown categories appear and must be addressed without retraining. Foundation and vision-language models are pre-trained on large and diverse datasets with the expectation of broad generalization across domains, including medical imaging. However, benchmarking these models on test sets with only a few common outlier types silently collapses the evaluation back to a closed-set problem, masking failures on rare or truly novel conditions encountered in clinical use. We therefore present NOVA, a challenging, real-life evaluation-only benchmark of sim900 brain MRI scans that span 281 rare pathologies and heterogeneous acquisition protocols. Each case includes rich clinical narratives and double-blinded expert bounding-box annotations. Together, these enable joint assessment of anomaly localisation, visual captioning, and diagnostic reasoning. Because NOVA is never used for training, it serves as an extreme stress-test of out-of-distribution generalisation: models must bridge a distribution gap both in sample appearance and in semantic space. Baseline results with leading vision-language models (GPT-4o, Gemini 2.0 Flash, and Qwen2.5-VL-72B) reveal substantial performance drops across all tasks, establishing NOVA as a rigorous testbed for advancing models that can detect, localize, and reason about truly unknown anomalies.

Distribution shifts -- where the training distribution differs from the test distribution -- can substantially degrade the accuracy of machine learning (ML) systems deployed in the wild. Despite their ubiquity in the real-world deployments, these distribution shifts are under-represented in the datasets widely used in the ML community today. To address this gap, we present WILDS, a curated benchmark of 10 datasets reflecting a diverse range of distribution shifts that naturally arise in real-world applications, such as shifts across hospitals for tumor identification; across camera traps for wildlife monitoring; and across time and location in satellite imaging and poverty mapping. On each dataset, we show that standard training yields substantially lower out-of-distribution than in-distribution performance. This gap remains even with models trained by existing methods for tackling distribution shifts, underscoring the need for new methods for training models that are more robust to the types of distribution shifts that arise in practice. To facilitate method development, we provide an open-source package that automates dataset loading, contains default model architectures and hyperparameters, and standardizes evaluations. Code and leaderboards are available at https://wilds.stanford.edu.

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/

Identifying Out-of-distribution (OOD) data is becoming increasingly critical as the real-world applications of deep learning methods expand. Post-hoc methods modify softmax scores fine-tuned on outlier data or leverage intermediate feature layers to identify distinctive patterns between In-Distribution (ID) and OOD samples. Other methods focus on employing diverse OOD samples to learn discrepancies between ID and OOD. These techniques, however, are typically dependent on the quality of the outlier samples assumed. Density-based methods explicitly model class-conditioned distributions but this requires long training time or retraining the classifier. To tackle these issues, we introduce FlowCon, a new density-based OOD detection technique. Our main innovation lies in efficiently combining the properties of normalizing flow with supervised contrastive learning, ensuring robust representation learning with tractable density estimation. Empirical evaluation shows the enhanced performance of our method across common vision datasets such as CIFAR-10 and CIFAR-100 pretrained on ResNet18 and WideResNet classifiers. We also perform quantitative analysis using likelihood plots and qualitative visualization using UMAP embeddings and demonstrate the robustness of the proposed method under various OOD contexts. Code will be open-sourced post decision.

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.

Out-of-distribution (OOD) detection is an important building block in trustworthy image recognition systems as unknown classes may arise at test-time. OOD detection methods typically revolve around a single classifier, leading to a split in the research field between the classical supervised setting (e.g. ResNet18 classifier trained on CIFAR100) vs. the zero-shot setting (class names fed as prompts to CLIP). In both cases, an overarching challenge is that the OOD detection performance is implicitly constrained by the classifier's capabilities on in-distribution (ID) data. In this work, we show that given a little open-mindedness from both ends, remarkable OOD detection can be achieved by instead creating a heterogeneous ensemble - COOkeD combines the predictions of a closed-world classifier trained end-to-end on a specific dataset, a zero-shot CLIP classifier, and a linear probe classifier trained on CLIP image features. While bulky at first sight, this approach is modular, post-hoc and leverages the availability of pre-trained VLMs, thus introduces little overhead compared to training a single standard classifier. We evaluate COOkeD on popular CIFAR100 and ImageNet benchmarks, but also consider more challenging, realistic settings ranging from training-time label noise, to test-time covariate shift, to zero-shot shift which has been previously overlooked. Despite its simplicity, COOkeD achieves state-of-the-art performance and greater robustness compared to both classical and CLIP-based OOD detection methods. Code is available at https://github.com/glhr/COOkeD

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.

Distribution shifts are a major source of failure of deployed machine learning models. However, evaluating a model's reliability under distribution shifts can be challenging, especially since it may be difficult to acquire counterfactual examples that exhibit a specified shift. In this work, we introduce dataset interfaces: a framework which allows users to scalably synthesize such counterfactual examples from a given dataset. Specifically, we represent each class from the input dataset as a custom token within the text space of a text-to-image diffusion model. By incorporating these tokens into natural language prompts, we can then generate instantiations of objects in that dataset under desired distribution shifts. We demonstrate how applying our framework to the ImageNet dataset enables us to study model behavior across a diverse array of shifts, including variations in background, lighting, and attributes of the objects themselves. Code available at https://github.com/MadryLab/dataset-interfaces.

Many real-world scenarios in which DNN-based recognition systems are deployed have inherently fine-grained attributes (e.g., bird-species recognition, medical image classification). In addition to achieving reliable accuracy, a critical subtask for these models is to detect Out-of-distribution (OOD) inputs. Given the nature of the deployment environment, one may expect such OOD inputs to also be fine-grained w.r.t. the known classes (e.g., a novel bird species), which are thus extremely difficult to identify. Unfortunately, OOD detection in fine-grained scenarios remains largely underexplored. In this work, we aim to fill this gap by first carefully constructing four large-scale fine-grained test environments, in which existing methods are shown to have difficulties. Particularly, we find that even explicitly incorporating a diverse set of auxiliary outlier data during training does not provide sufficient coverage over the broad region where fine-grained OOD samples locate. We then propose Mixture Outlier Exposure (MixOE), which mixes ID data and training outliers to expand the coverage of different OOD granularities, and trains the model such that the prediction confidence linearly decays as the input transitions from ID to OOD. Extensive experiments and analyses demonstrate the effectiveness of MixOE for building up OOD detector in fine-grained environments. The code is available at https://github.com/zjysteven/MixOE.

Out-of-distribution (OOD) detection is an indispensable aspect of secure AI when deploying machine learning models in real-world applications. Previous paradigms either explore better scoring functions or utilize the knowledge of outliers to equip the models with the ability of OOD detection. However, few of them pay attention to the intrinsic OOD detection capability of the given model. In this work, we generally discover the existence of an intermediate stage of a model trained on in-distribution (ID) data having higher OOD detection performance than that of its final stage across different settings, and further identify one critical data-level attribution to be learning with the atypical samples. Based on such insights, we propose a novel method, Unleashing Mask, which aims to restore the OOD discriminative capabilities of the well-trained model with ID data. Our method utilizes a mask to figure out the memorized atypical samples, and then finetune the model or prune it with the introduced mask to forget them. Extensive experiments and analysis demonstrate the effectiveness of our method. The code is available at: https://github.com/tmlr-group/Unleashing-Mask.

Detecting out-of-distribution (OOD) samples is essential when deploying machine learning models in open-world scenarios. Zero-shot OOD detection, requiring no training on in-distribution (ID) data, has been possible with the advent of vision-language models like CLIP. Existing methods build a text-based classifier with only closed-set labels. However, this largely restricts the inherent capability of CLIP to recognize samples from large and open label space. In this paper, we propose to tackle this constraint by leveraging the expert knowledge and reasoning capability of large language models (LLM) to Envision potential Outlier Exposure, termed EOE, without access to any actual OOD data. Owing to better adaptation to open-world scenarios, EOE can be generalized to different tasks, including far, near, and fine-grained OOD detection. Technically, we design (1) LLM prompts based on visual similarity to generate potential outlier class labels specialized for OOD detection, as well as (2) a new score function based on potential outlier penalty to distinguish hard OOD samples effectively. Empirically, EOE achieves state-of-the-art performance across different OOD tasks and can be effectively scaled to the ImageNet-1K dataset. The code is publicly available at: https://github.com/tmlr-group/EOE.

A crucial requirement for reliable deployment of deep learning models for safety-critical applications is the ability to identify out-of-distribution (OOD) data points, samples which differ from the training data and on which a model might underperform. Previous work has attempted to tackle this problem using uncertainty estimation techniques. However, there is empirical evidence that a large family of these techniques do not detect OOD reliably in classification tasks. This paper gives a theoretical explanation for said experimental findings and illustrates it on synthetic data. We prove that such techniques are not able to reliably identify OOD samples in a classification setting, since their level of confidence is generalized to unseen areas of the feature space. This result stems from the interplay between the representation of ReLU networks as piece-wise affine transformations, the saturating nature of activation functions like softmax, and the most widely-used uncertainty metrics.

The usage of deep neural networks in safety-critical systems is limited by our ability to guarantee their correct behavior. Runtime monitors are components aiming to identify unsafe predictions and discard them before they can lead to catastrophic consequences. Several recent works on runtime monitoring have focused on out-of-distribution (OOD) detection, i.e., identifying inputs that are different from the training data. In this work, we argue that OOD detection is not a well-suited framework to design efficient runtime monitors and that it is more relevant to evaluate monitors based on their ability to discard incorrect predictions. We call this setting out-ofmodel-scope detection and discuss the conceptual differences with OOD. We also conduct extensive experiments on popular datasets from the literature to show that studying monitors in the OOD setting can be misleading: 1. very good OOD results can give a false impression of safety, 2. comparison under the OOD setting does not allow identifying the best monitor to detect errors. Finally, we also show that removing erroneous training data samples helps to train better monitors.

Post-hoc out-of-distribution (OOD) detection has garnered intensive attention in reliable machine learning. Many efforts have been dedicated to deriving score functions based on logits, distances, or rigorous data distribution assumptions to identify low-scoring OOD samples. Nevertheless, these estimate scores may fail to accurately reflect the true data density or impose impractical constraints. To provide a unified perspective on density-based score design, we propose a novel theoretical framework grounded in Bregman divergence, which extends distribution considerations to encompass an exponential family of distributions. Leveraging the conjugation constraint revealed in our theorem, we introduce a ConjNorm method, reframing density function design as a search for the optimal norm coefficient p against the given dataset. In light of the computational challenges of normalization, we devise an unbiased and analytically tractable estimator of the partition function using the Monte Carlo-based importance sampling technique. Extensive experiments across OOD detection benchmarks empirically demonstrate that our proposed ConjNorm has established a new state-of-the-art in a variety of OOD detection setups, outperforming the current best method by up to 13.25% and 28.19% (FPR95) on CIFAR-100 and ImageNet-1K, respectively.

The out-of-distribution (OOD) problem generally arises when neural networks encounter data that significantly deviates from the training data distribution, i.e., in-distribution (InD). In this paper, we study the OOD problem from a neuron activation view. We first formulate neuron activation states by considering both the neuron output and its influence on model decisions. Then, to characterize the relationship between neurons and OOD issues, we introduce the neuron activation coverage (NAC) -- a simple measure for neuron behaviors under InD data. Leveraging our NAC, we show that 1) InD and OOD inputs can be largely separated based on the neuron behavior, which significantly eases the OOD detection problem and beats the 21 previous methods over three benchmarks (CIFAR-10, CIFAR-100, and ImageNet-1K). 2) a positive correlation between NAC and model generalization ability consistently holds across architectures and datasets, which enables a NAC-based criterion for evaluating model robustness. Compared to prevalent InD validation criteria, we show that NAC not only can select more robust models, but also has a stronger correlation with OOD test performance.

Out-of-distribution (OOD) detection is critical for safety-sensitive machine learning applications and has been extensively studied, yielding a plethora of methods developed in the literature. However, most studies for OOD detection did not use pre-trained models and trained a backbone from scratch. In recent years, transferring knowledge from large pre-trained models to downstream tasks by lightweight tuning has become mainstream for training in-distribution (ID) classifiers. To bridge the gap between the practice of OOD detection and current classifiers, the unique and crucial problem is that the samples whose information networks know often come as OOD input. We consider that such data may significantly affect the performance of large pre-trained networks because the discriminability of these OOD data depends on the pre-training algorithm. Here, we define such OOD data as PT-OOD (Pre-Trained OOD) data. In this paper, we aim to reveal the effect of PT-OOD on the OOD detection performance of pre-trained networks from the perspective of pre-training algorithms. To achieve this, we explore the PT-OOD detection performance of supervised and self-supervised pre-training algorithms with linear-probing tuning, the most common efficient tuning method. Through our experiments and analysis, we find that the low linear separability of PT-OOD in the feature space heavily degrades the PT-OOD detection performance, and self-supervised models are more vulnerable to PT-OOD than supervised pre-trained models, even with state-of-the-art detection methods. To solve this vulnerability, we further propose a unique solution to large-scale pre-trained models: Leveraging powerful instance-by-instance discriminative representations of pre-trained models and detecting OOD in the feature space independent of the ID decision boundaries. The code will be available via https://github.com/AtsuMiyai/PT-OOD.

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.

Efficiency and trustworthiness are two eternal pursuits when applying deep learning in real-world applications. With regard to efficiency, dataset distillation (DD) endeavors to reduce training costs by distilling the large dataset into a tiny synthetic dataset. However, existing methods merely concentrate on in-distribution (InD) classification in a closed-world setting, disregarding out-of-distribution (OOD) samples. On the other hand, OOD detection aims to enhance models' trustworthiness, which is always inefficiently achieved in full-data settings. For the first time, we simultaneously consider both issues and propose a novel paradigm called Trustworthy Dataset Distillation (TrustDD). By distilling both InD samples and outliers, the condensed datasets are capable of training models competent in both InD classification and OOD detection. To alleviate the requirement of real outlier data, we further propose to corrupt InD samples to generate pseudo-outliers, namely Pseudo-Outlier Exposure (POE). Comprehensive experiments on various settings demonstrate the effectiveness of TrustDD, and POE surpasses the state-of-the-art method Outlier Exposure (OE). Compared with the preceding DD, TrustDD is more trustworthy and applicable to open-world scenarios. Our code is available at https://github.com/mashijie1028/TrustDD

The ability to detect unfamiliar or unexpected images is essential for safe deployment of computer vision systems. In the context of classification, the task of detecting images outside of a model's training domain is known as out-of-distribution (OOD) detection. While there has been a growing research interest in developing post-hoc OOD detection methods, there has been comparably little discussion around how these methods perform when the underlying classifier is not trained on a clean, carefully curated dataset. In this work, we take a closer look at 20 state-of-the-art OOD detection methods in the (more realistic) scenario where the labels used to train the underlying classifier are unreliable (e.g. crowd-sourced or web-scraped labels). Extensive experiments across different datasets, noise types & levels, architectures and checkpointing strategies provide insights into the effect of class label noise on OOD detection, and show that poor separation between incorrectly classified ID samples vs. OOD samples is an overlooked yet important limitation of existing methods. Code: https://github.com/glhr/ood-labelnoise

We develop techniques to quantify the degree to which a given (training or testing) example is an outlier in the underlying distribution. We evaluate five methods to score examples in a dataset by how well-represented the examples are, for different plausible definitions of "well-represented", and apply these to four common datasets: MNIST, Fashion-MNIST, CIFAR-10, and ImageNet. Despite being independent approaches, we find all five are highly correlated, suggesting that the notion of being well-represented can be quantified. Among other uses, we find these methods can be combined to identify (a) prototypical examples (that match human expectations); (b) memorized training examples; and, (c) uncommon submodes of the dataset. Further, we show how we can utilize our metrics to determine an improved ordering for curriculum learning, and impact adversarial robustness. We release all metric values on training and test sets we studied.

We present a new methodology for detecting out-of-distribution (OOD) images by utilizing norms of the score estimates at multiple noise scales. A score is defined to be the gradient of the log density with respect to the input data. Our methodology is completely unsupervised and follows a straight forward training scheme. First, we train a deep network to estimate scores for levels of noise. Once trained, we calculate the noisy score estimates for N in-distribution samples and take the L2-norms across the input dimensions (resulting in an NxL matrix). Then we train an auxiliary model (such as a Gaussian Mixture Model) to learn the in-distribution spatial regions in this L-dimensional space. This auxiliary model can now be used to identify points that reside outside the learned space. Despite its simplicity, our experiments show that this methodology significantly outperforms the state-of-the-art in detecting out-of-distribution images. For example, our method can effectively separate CIFAR-10 (inlier) and SVHN (OOD) images, a setting which has been previously shown to be difficult for deep likelihood models.

We introduce two challenging datasets that reliably cause machine learning model performance to substantially degrade. The datasets are collected with a simple adversarial filtration technique to create datasets with limited spurious cues. Our datasets' real-world, unmodified examples transfer to various unseen models reliably, demonstrating that computer vision models have shared weaknesses. The first dataset is called ImageNet-A and is like the ImageNet test set, but it is far more challenging for existing models. We also curate an adversarial out-of-distribution detection dataset called ImageNet-O, which is the first out-of-distribution detection dataset created for ImageNet models. On ImageNet-A a DenseNet-121 obtains around 2% accuracy, an accuracy drop of approximately 90%, and its out-of-distribution detection performance on ImageNet-O is near random chance levels. We find that existing data augmentation techniques hardly boost performance, and using other public training datasets provides improvements that are limited. However, we find that improvements to computer vision architectures provide a promising path towards robust models.

Out-of-distribution (OOD) detection is crucial to modern deep learning applications by identifying and alerting about the OOD samples that should not be tested or used for making predictions. Current OOD detection methods have made significant progress when in-distribution (ID) and OOD samples are drawn from static distributions. However, this can be unrealistic when applied to real-world systems which often undergo continuous variations and shifts in ID and OOD distributions over time. Therefore, for an effective application in real-world systems, the development of OOD detection methods that can adapt to these dynamic and evolving distributions is essential. In this paper, we propose a novel and more realistic setting called continuously adaptive out-of-distribution (CAOOD) detection which targets on developing an OOD detection model that enables dynamic and quick adaptation to a new arriving distribution, with insufficient ID samples during deployment time. To address CAOOD, we develop meta OOD learning (MOL) by designing a learning-to-adapt diagram such that a good initialized OOD detection model is learned during the training process. In the testing process, MOL ensures OOD detection performance over shifting distributions by quickly adapting to new distributions with a few adaptations. Extensive experiments on several OOD benchmarks endorse the effectiveness of our method in preserving both ID classification accuracy and OOD detection performance on continuously shifting distributions.

Out-of-distribution (OOD) detection refers to training the model on an in-distribution (ID) dataset to classify whether the input images come from unknown classes. Considerable effort has been invested in designing various OOD detection methods based on either convolutional neural networks or transformers. However, zero-shot OOD detection methods driven by CLIP, which only require class names for ID, have received less attention. This paper presents a novel method, namely CLIP saying no (CLIPN), which empowers the logic of saying no within CLIP. Our key motivation is to equip CLIP with the capability of distinguishing OOD and ID samples using positive-semantic prompts and negation-semantic prompts. Specifically, we design a novel learnable no prompt and a no text encoder to capture negation semantics within images. Subsequently, we introduce two loss functions: the image-text binary-opposite loss and the text semantic-opposite loss, which we use to teach CLIPN to associate images with no prompts, thereby enabling it to identify unknown samples. Furthermore, we propose two threshold-free inference algorithms to perform OOD detection by utilizing negation semantics from no prompts and the text encoder. Experimental results on 9 benchmark datasets (3 ID datasets and 6 OOD datasets) for the OOD detection task demonstrate that CLIPN, based on ViT-B-16, outperforms 7 well-used algorithms by at least 2.34% and 11.64% in terms of AUROC and FPR95 for zero-shot OOD detection on ImageNet-1K. Our CLIPN can serve as a solid foundation for effectively leveraging CLIP in downstream OOD tasks. The code is available on https://github.com/xmed-lab/CLIPN.

Using unlabeled data to regularize the machine learning models has demonstrated promise for improving safety and reliability in detecting out-of-distribution (OOD) data. Harnessing the power of unlabeled in-the-wild data is non-trivial due to the heterogeneity of both in-distribution (ID) and OOD data. This lack of a clean set of OOD samples poses significant challenges in learning an optimal OOD classifier. Currently, there is a lack of research on formally understanding how unlabeled data helps OOD detection. This paper bridges the gap by introducing a new learning framework SAL (Separate And Learn) that offers both strong theoretical guarantees and empirical effectiveness. The framework separates candidate outliers from the unlabeled data and then trains an OOD classifier using the candidate outliers and the labeled ID data. Theoretically, we provide rigorous error bounds from the lens of separability and learnability, formally justifying the two components in our algorithm. Our theory shows that SAL can separate the candidate outliers with small error rates, which leads to a generalization guarantee for the learned OOD classifier. Empirically, SAL achieves state-of-the-art performance on common benchmarks, reinforcing our theoretical insights. Code is publicly available at https://github.com/deeplearning-wisc/sal.

Understanding how machine learning models respond to distributional shifts is a key research challenge. Mazes serve as an excellent testbed due to varied generation algorithms offering a nuanced platform to simulate both subtle and pronounced distributional shifts. To enable systematic investigations of model behavior on out-of-distribution data, we present maze-dataset, a comprehensive library for generating, processing, and visualizing datasets consisting of maze-solving tasks. With this library, researchers can easily create datasets, having extensive control over the generation algorithm used, the parameters fed to the algorithm of choice, and the filters that generated mazes must satisfy. Furthermore, it supports multiple output formats, including rasterized and text-based, catering to convolutional neural networks and autoregressive transformer models. These formats, along with tools for visualizing and converting between them, ensure versatility and adaptability in research applications.

Out-of-distribution (OOD) detection plays a crucial role in ensuring the safe deployment of deep neural network (DNN) classifiers. While a myriad of methods have focused on improving the performance of OOD detectors, a critical gap remains in interpreting their decisions. We help bridge this gap by providing explanations for OOD detectors based on learned high-level concepts. We first propose two new metrics for assessing the effectiveness of a particular set of concepts for explaining OOD detectors: 1) detection completeness, which quantifies the sufficiency of concepts for explaining an OOD-detector's decisions, and 2) concept separability, which captures the distributional separation between in-distribution and OOD data in the concept space. Based on these metrics, we propose an unsupervised framework for learning a set of concepts that satisfy the desired properties of high detection completeness and concept separability, and demonstrate its effectiveness in providing concept-based explanations for diverse off-the-shelf OOD detectors. We also show how to identify prominent concepts contributing to the detection results, and provide further reasoning about their decisions.

Real-world classifiers can benefit from the option of abstaining from predicting on samples where they have low confidence. Such abstention is particularly useful on samples which are close to the learned decision boundary, or which are outliers with respect to the training sample. These settings have been the subject of extensive but disjoint study in the selective classification (SC) and out-of-distribution (OOD) detection literature. Recent work on selective classification with OOD detection (SCOD) has argued for the unified study of these problems; however, the formal underpinnings of this problem are still nascent, and existing techniques are heuristic in nature. In this paper, we propose new plugin estimators for SCOD that are theoretically grounded, effective, and generalise existing approaches from the SC and OOD detection literature. In the course of our analysis, we formally explicate how na\"{i}ve use of existing SC and OOD detection baselines may be inadequate for SCOD. We empirically demonstrate that our approaches yields competitive SC and OOD detection performance compared to baselines from both literatures.

Out-of-distribution (OOD) detection is a critical requirement for the deployment of deep neural networks. This paper introduces the HEAT model, a new post-hoc OOD detection method estimating the density of in-distribution (ID) samples using hybrid energy-based models (EBM) in the feature space of a pre-trained backbone. HEAT complements prior density estimators of the ID density, e.g. parametric models like the Gaussian Mixture Model (GMM), to provide an accurate yet robust density estimation. A second contribution is to leverage the EBM framework to provide a unified density estimation and to compose several energy terms. Extensive experiments demonstrate the significance of the two contributions. HEAT sets new state-of-the-art OOD detection results on the CIFAR-10 / CIFAR-100 benchmark as well as on the large-scale Imagenet benchmark. The code is available at: https://github.com/MarcLafon/heatood.

Detecting test samples drawn sufficiently far away from the training distribution statistically or adversarially is a fundamental requirement for deploying a good classifier in many real-world machine learning applications. However, deep neural networks with the softmax classifier are known to produce highly overconfident posterior distributions even for such abnormal samples. In this paper, we propose a simple yet effective method for detecting any abnormal samples, which is applicable to any pre-trained softmax neural classifier. We obtain the class conditional Gaussian distributions with respect to (low- and upper-level) features of the deep models under Gaussian discriminant analysis, which result in a confidence score based on the Mahalanobis distance. While most prior methods have been evaluated for detecting either out-of-distribution or adversarial samples, but not both, the proposed method achieves the state-of-the-art performances for both cases in our experiments. Moreover, we found that our proposed method is more robust in harsh cases, e.g., when the training dataset has noisy labels or small number of samples. Finally, we show that the proposed method enjoys broader usage by applying it to class-incremental learning: whenever out-of-distribution samples are detected, our classification rule can incorporate new classes well without further training deep models.

Deep learning has achieved tremendous success with independent and identically distributed (i.i.d.) data. However, the performance of neural networks often degenerates drastically when encountering out-of-distribution (OoD) data, i.e., when training and test data are sampled from different distributions. While a plethora of algorithms have been proposed for OoD generalization, our understanding of the data used to train and evaluate these algorithms remains stagnant. In this work, we first identify and measure two distinct kinds of distribution shifts that are ubiquitous in various datasets. Next, through extensive experiments, we compare OoD generalization algorithms across two groups of benchmarks, each dominated by one of the distribution shifts, revealing their strengths on one shift as well as limitations on the other shift. Overall, we position existing datasets and algorithms from different research areas seemingly unconnected into the same coherent picture. It may serve as a foothold that can be resorted to by future OoD generalization research. Our code is available at https://github.com/ynysjtu/ood_bench.

Modern machine learning research relies on relatively few carefully curated datasets. Even in these datasets, and typically in `untidy' or raw data, practitioners are faced with significant issues of data quality and diversity which can be prohibitively labor intensive to address. Existing methods for dealing with these challenges tend to make strong assumptions about the particular issues at play, and often require a priori knowledge or metadata such as domain labels. Our work is orthogonal to these methods: we instead focus on providing a unified and efficient framework for Metadata Archaeology -- uncovering and inferring metadata of examples in a dataset. We curate different subsets of data that might exist in a dataset (e.g. mislabeled, atypical, or out-of-distribution examples) using simple transformations, and leverage differences in learning dynamics between these probe suites to infer metadata of interest. Our method is on par with far more sophisticated mitigation methods across different tasks: identifying and correcting mislabeled examples, classifying minority-group samples, prioritizing points relevant for training and enabling scalable human auditing of relevant examples.

Out-of-distribution (OOD) detection is the task of identifying inputs that deviate from the training data distribution. This capability is essential for safely deploying deep computer vision models in open-world environments. In this work, we propose a post-hoc method, Perturbation-Rectified OOD detection (PRO), based on the insight that prediction confidence for OOD inputs is more susceptible to reduction under perturbation than in-distribution (IND) inputs. Based on the observation, we propose an adversarial score function that searches for the local minimum scores near the original inputs by applying gradient descent. This procedure enhances the separability between IND and OOD samples. Importantly, the approach improves OOD detection performance without complex modifications to the underlying model architectures. We conduct extensive experiments using the OpenOOD benchmark~yang2022openood. Our approach further pushes the limit of softmax-based OOD detection and is the leading post-hoc method for small-scale models. On a CIFAR-10 model with adversarial training, PRO effectively detects near-OOD inputs, achieving a reduction of more than 10\% on FPR@95 compared to state-of-the-art methods.

As deep neural networks become adopted in high-stakes domains, it is crucial to be able to identify when inference inputs are Out-of-Distribution (OOD) so that users can be alerted of likely drops in performance and calibration despite high confidence. Among many others, existing methods use the following two scores to do so without training on any apriori OOD examples: a learned temperature and an energy score. In this paper we introduce Ablated Learned Temperature Energy (or "AbeT" for short), a method which combines these prior methods in novel ways with effective modifications. Due to these contributions, AbeT lowers the False Positive Rate at 95% True Positive Rate (FPR@95) by 35.39% in classification (averaged across all ID and OOD datasets measured) compared to state of the art without training networks in multiple stages or requiring hyperparameters or test-time backward passes. We additionally provide empirical insights as to how our model learns to distinguish between In-Distribution (ID) and OOD samples while only being explicitly trained on ID samples via exposure to misclassified ID examples at training time. Lastly, we show the efficacy of our method in identifying predicted bounding boxes and pixels corresponding to OOD objects in object detection and semantic segmentation, respectively - with an AUROC increase of 5.15% in object detection and both a decrease in FPR@95 of 41.48% and an increase in AUPRC of 34.20% on average in semantic segmentation compared to previous state of the art.

Detecting out-of-distribution (OOD) inputs is a central challenge for safely deploying machine learning models in the real world. Existing solutions are mainly driven by small datasets, with low resolution and very few class labels (e.g., CIFAR). As a result, OOD detection for large-scale image classification tasks remains largely unexplored. In this paper, we bridge this critical gap by proposing a group-based OOD detection framework, along with a novel OOD scoring function termed MOS. Our key idea is to decompose the large semantic space into smaller groups with similar concepts, which allows simplifying the decision boundaries between in- vs. out-of-distribution data for effective OOD detection. Our method scales substantially better for high-dimensional class space than previous approaches. We evaluate models trained on ImageNet against four carefully curated OOD datasets, spanning diverse semantics. MOS establishes state-of-the-art performance, reducing the average FPR95 by 14.33% while achieving 6x speedup in inference compared to the previous best method.

Out-of-distribution (OOD) detection empowers the model trained on the closed image set to identify unknown data in the open world. Though many prior techniques have yielded considerable improvements in this research direction, two crucial obstacles still remain. Firstly, a unified perspective has yet to be presented to view the developed arts with individual designs, which is vital for providing insights into future work. Secondly, we expect sufficient natural OOD supervision to promote the generation of compact boundaries between the in-distribution (ID) and OOD data without collecting explicit OOD samples. To tackle these issues, we propose a general probabilistic framework to interpret many existing methods and an OOD-data-free model, namely Self-supervised Sampling for OOD Detection (SSOD). SSOD efficiently exploits natural OOD signals from the ID data based on the local property of convolution. With these supervisions, it jointly optimizes the OOD detection and conventional ID classification in an end-to-end manner. Extensive experiments reveal that SSOD establishes competitive state-of-the-art performance on many large-scale benchmarks, outperforming the best previous method by a large margin, \eg, reporting -6.28\% FPR95 and +0.77\% AUROC on ImageNet, -19.01\% FPR95 and +3.04\% AUROC on CIFAR-10, and top-ranked performance on hard OOD datasets, \ie, ImageNet-O and OpenImage-O.

Standard test sets for supervised learning evaluate in-distribution generalization. Unfortunately, when a dataset has systematic gaps (e.g., annotation artifacts), these evaluations are misleading: a model can learn simple decision rules that perform well on the test set but do not capture a dataset's intended capabilities. We propose a new annotation paradigm for NLP that helps to close systematic gaps in the test data. In particular, after a dataset is constructed, we recommend that the dataset authors manually perturb the test instances in small but meaningful ways that (typically) change the gold label, creating contrast sets. Contrast sets provide a local view of a model's decision boundary, which can be used to more accurately evaluate a model's true linguistic capabilities. We demonstrate the efficacy of contrast sets by creating them for 10 diverse NLP datasets (e.g., DROP reading comprehension, UD parsing, IMDb sentiment analysis). Although our contrast sets are not explicitly adversarial, model performance is significantly lower on them than on the original test sets---up to 25\% in some cases. We release our contrast sets as new evaluation benchmarks and encourage future dataset construction efforts to follow similar annotation processes.

Out-of-distribution (OOD) detection is crucial for model reliability, as it identifies samples from unknown classes and reduces errors due to unexpected inputs. Vision-Language Models (VLMs) such as CLIP are emerging as powerful tools for OOD detection by integrating multi-modal information. However, the practical application of such systems is challenged by manual prompt engineering, which demands domain expertise and is sensitive to linguistic nuances. In this paper, we introduce Label-driven Automated Prompt Tuning (LAPT), a novel approach to OOD detection that reduces the need for manual prompt engineering. We develop distribution-aware prompts with in-distribution (ID) class names and negative labels mined automatically. Training samples linked to these class labels are collected autonomously via image synthesis and retrieval methods, allowing for prompt learning without manual effort. We utilize a simple cross-entropy loss for prompt optimization, with cross-modal and cross-distribution mixing strategies to reduce image noise and explore the intermediate space between distributions, respectively. The LAPT framework operates autonomously, requiring only ID class names as input and eliminating the need for manual intervention. With extensive experiments, LAPT consistently outperforms manually crafted prompts, setting a new standard for OOD detection. Moreover, LAPT not only enhances the distinction between ID and OOD samples, but also improves the ID classification accuracy and strengthens the generalization robustness to covariate shifts, resulting in outstanding performance in challenging full-spectrum OOD detection tasks. Codes are available at https://github.com/YBZh/LAPT.

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.

Detecting out-of-distribution (OOD) data is a critical challenge in machine learning due to model overconfidence, often without awareness of their epistemological limits. We hypothesize that ``neural collapse'', a phenomenon affecting in-distribution data for models trained beyond loss convergence, also influences OOD data. To benefit from this interplay, we introduce NECO, a novel post-hoc method for OOD detection, which leverages the geometric properties of ``neural collapse'' and of principal component spaces to identify OOD data. Our extensive experiments demonstrate that NECO achieves state-of-the-art results on both small and large-scale OOD detection tasks while exhibiting strong generalization capabilities across different network architectures. Furthermore, we provide a theoretical explanation for the effectiveness of our method in OOD detection. Code is available at https://gitlab.com/drti/neco

Distributional discrepancy between training and test data can lead models to make inaccurate predictions when encountering out-of-distribution (OOD) samples in real-world applications. Although existing graph OOD detection methods leverage data-centric techniques to extract effective representations, their performance remains compromised by structural redundancy that induces semantic shifts. To address this dilemma, we propose RedOUT, an unsupervised framework that integrates structural entropy into test-time OOD detection for graph classification. Concretely, we introduce the Redundancy-aware Graph Information Bottleneck (ReGIB) and decompose the objective into essential information and irrelevant redundancy. By minimizing structural entropy, the decoupled redundancy is reduced, and theoretically grounded upper and lower bounds are proposed for optimization. Extensive experiments on real-world datasets demonstrate the superior performance of RedOUT on OOD detection. Specifically, our method achieves an average improvement of 6.7%, significantly surpassing the best competitor by 17.3% on the ClinTox/LIPO dataset pair.

Deep Neural Networks (DNNs) are becoming a crucial component of modern software systems, but they are prone to fail under conditions that are different from the ones observed during training (out-of-distribution inputs) or on inputs that are truly ambiguous, i.e., inputs that admit multiple classes with nonzero probability in their ground truth labels. Recent work proposed DNN supervisors to detect high-uncertainty inputs before their possible misclassification leads to any harm. To test and compare the capabilities of DNN supervisors, researchers proposed test generation techniques, to focus the testing effort on high-uncertainty inputs that should be recognized as anomalous by supervisors. However, existing test generators can only produce out-of-distribution inputs. No existing model- and supervisor-independent technique supports the generation of truly ambiguous test inputs. In this paper, we propose a novel way to generate ambiguous inputs to test DNN supervisors and used it to empirically compare several existing supervisor techniques. In particular, we propose AmbiGuess to generate ambiguous samples for image classification problems. AmbiGuess is based on gradient-guided sampling in the latent space of a regularized adversarial autoencoder. Moreover, we conducted what is - to the best of our knowledge - the most extensive comparative study of DNN supervisors, considering their capabilities to detect 4 distinct types of high-uncertainty inputs, including truly ambiguous ones.

Out-of-distribution (OOD) problems in few-shot classification (FSC) occur when novel classes sampled from testing distributions differ from base classes drawn from training distributions, which considerably degrades the performance of deep learning models deployed in real-world applications. Recent studies suggest that the OOD problems in FSC mainly including: (a) cross-domain few-shot classification (CD-FSC) and (b) spurious-correlation few-shot classification (SC-FSC). Specifically, CD-FSC occurs when a classifier learns transferring knowledge from base classes drawn from seen training distributions but recognizes novel classes sampled from unseen testing distributions. In contrast, SC-FSC arises when a classifier relies on non-causal features (or contexts) that happen to be correlated with the labels (or concepts) in base classes but such relationships no longer hold during the model deployment. Despite CD-FSC has been extensively studied, SC-FSC remains understudied due to lack of the corresponding evaluation benchmarks. To this end, we present Meta Concept Context (MetaCoCo), a benchmark with spurious-correlation shifts collected from real-world scenarios. Moreover, to quantify the extent of spurious-correlation shifts of the presented MetaCoCo, we further propose a metric by using CLIP as a pre-trained vision-language model. Extensive experiments on the proposed benchmark are performed to evaluate the state-of-the-art methods in FSC, cross-domain shifts, and self-supervised learning. The experimental results show that the performance of the existing methods degrades significantly in the presence of spurious-correlation shifts. We open-source all codes of our benchmark and hope that the proposed MetaCoCo can facilitate future research on spurious-correlation shifts problems in FSC. The code is available at: https://github.com/remiMZ/MetaCoCo-ICLR24.

The core of out-of-distribution (OOD) detection is to learn the in-distribution (ID) representation, which is distinguishable from OOD samples. Previous work applied recognition-based methods to learn the ID features, which tend to learn shortcuts instead of comprehensive representations. In this work, we find surprisingly that simply using reconstruction-based methods could boost the performance of OOD detection significantly. We deeply explore the main contributors of OOD detection and find that reconstruction-based pretext tasks have the potential to provide a generally applicable and efficacious prior, which benefits the model in learning intrinsic data distributions of the ID dataset. Specifically, we take Masked Image Modeling as a pretext task for our OOD detection framework (MOOD). Without bells and whistles, MOOD outperforms previous SOTA of one-class OOD detection by 5.7%, multi-class OOD detection by 3.0%, and near-distribution OOD detection by 2.1%. It even defeats the 10-shot-per-class outlier exposure OOD detection, although we do not include any OOD samples for our detection

Supervised learning datasets may contain multiple cues that explain the training set equally well, i.e., learning any of them would lead to the correct predictions on the training data. However, many of them can be spurious, i.e., lose their predictive power under a distribution shift and consequently fail to generalize to out-of-distribution (OOD) data. Recently developed "diversification" methods (Lee et al., 2023; Pagliardini et al., 2023) approach this problem by finding multiple diverse hypotheses that rely on different features. This paper aims to study this class of methods and identify the key components contributing to their OOD generalization abilities. We show that (1) diversification methods are highly sensitive to the distribution of the unlabeled data used for diversification and can underperform significantly when away from a method-specific sweet spot. (2) Diversification alone is insufficient for OOD generalization. The choice of the used learning algorithm, e.g., the model's architecture and pretraining, is crucial. In standard experiments (classification on Waterbirds and Office-Home datasets), using the second-best choice leads to an up to 20\% absolute drop in accuracy. (3) The optimal choice of learning algorithm depends on the unlabeled data and vice versa i.e. they are co-dependent. (4) Finally, we show that, in practice, the above pitfalls cannot be alleviated by increasing the number of diverse hypotheses, the major feature of diversification methods. These findings provide a clearer understanding of the critical design factors influencing the OOD generalization abilities of diversification methods. They can guide practitioners in how to use the existing methods best and guide researchers in developing new, better ones.

Out-of-distribution (OOD) detection is a critical task for reliable predictions over text. Fine-tuning with pre-trained language models has been a de facto procedure to derive OOD detectors with respect to in-distribution (ID) data. Despite its common use, the understanding of the role of fine-tuning and its necessity for OOD detection is largely unexplored. In this paper, we raise the question: is fine-tuning necessary for OOD detection? We present a study investigating the efficacy of directly leveraging pre-trained language models for OOD detection, without any model fine-tuning on the ID data. We compare the approach with several competitive fine-tuning objectives, and offer new insights under various types of distributional shifts. Extensive evaluations on 8 diverse ID-OOD dataset pairs demonstrate near-perfect OOD detection performance (with 0% FPR95 in many cases), strongly outperforming its fine-tuned counterparts. We show that using distance-based detection methods, pre-trained language models are near-perfect OOD detectors when the distribution shift involves a domain change. Furthermore, we study the effect of fine-tuning on OOD detection and identify how to balance ID accuracy with OOD detection performance. Our code is publically available at https://github.com/Uppaal/lm-ood.

We present a straightforward statistical test to detect certain violations of the assumption that the data are Independent and Identically Distributed (IID). The specific form of violation considered is common across real-world applications: whether the examples are ordered in the dataset such that almost adjacent examples tend to have more similar feature values (e.g. due to distributional drift, or attractive interactions between datapoints). Based on a k-Nearest Neighbors estimate, our approach can be used to audit any multivariate numeric data as well as other data types (image, text, audio, etc.) that can be numerically represented, perhaps with model embeddings. Compared with existing methods to detect drift or auto-correlation, our approach is both applicable to more types of data and also able to detect a wider variety of IID violations in practice. Code: https://github.com/cleanlab/cleanlab

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

Determining whether inputs are out-of-distribution (OOD) is an essential building block for safely deploying machine learning models in the open world. However, previous methods relying on the softmax confidence score suffer from overconfident posterior distributions for OOD data. We propose a unified framework for OOD detection that uses an energy score. We show that energy scores better distinguish in- and out-of-distribution samples than the traditional approach using the softmax scores. Unlike softmax confidence scores, energy scores are theoretically aligned with the probability density of the inputs and are less susceptible to the overconfidence issue. Within this framework, energy can be flexibly used as a scoring function for any pre-trained neural classifier as well as a trainable cost function to shape the energy surface explicitly for OOD detection. On a CIFAR-10 pre-trained WideResNet, using the energy score reduces the average FPR (at TPR 95%) by 18.03% compared to the softmax confidence score. With energy-based training, our method outperforms the state-of-the-art on common benchmarks.

Out-of-Distribution (OOD) detection is critical for the reliable operation of open-world intelligent systems. Despite the emergence of an increasing number of OOD detection methods, the evaluation inconsistencies present challenges for tracking the progress in this field. OpenOOD v1 initiated the unification of the OOD detection evaluation but faced limitations in scalability and usability. In response, this paper presents OpenOOD v1.5, a significant improvement from its predecessor that ensures accurate, standardized, and user-friendly evaluation of OOD detection methodologies. Notably, OpenOOD v1.5 extends its evaluation capabilities to large-scale datasets such as ImageNet, investigates full-spectrum OOD detection which is important yet underexplored, and introduces new features including an online leaderboard and an easy-to-use evaluator. This work also contributes in-depth analysis and insights derived from comprehensive experimental results, thereby enriching the knowledge pool of OOD detection methodologies. With these enhancements, OpenOOD v1.5 aims to drive advancements and offer a more robust and comprehensive evaluation benchmark for OOD detection research.

Reliable out-of-distribution (OOD) detection is fundamental to implementing safer modern machine learning (ML) systems. In this paper, we introduce Igeood, an effective method for detecting OOD samples. Igeood applies to any pre-trained neural network, works under various degrees of access to the ML model, does not require OOD samples or assumptions on the OOD data but can also benefit (if available) from OOD samples. By building on the geodesic (Fisher-Rao) distance between the underlying data distributions, our discriminator can combine confidence scores from the logits outputs and the learned features of a deep neural network. Empirically, we show that Igeood outperforms competing state-of-the-art methods on a variety of network architectures and datasets.

Quality benchmarks are essential for fairly and accurately tracking scientific progress and enabling practitioners to make informed methodological choices. Outlier detection (OD) on tabular data underpins numerous real-world applications, yet existing OD benchmarks remain limited. The prominent OD benchmark AdBench is the de facto standard in the literature, yet comprises only 57 datasets. In addition to other shortcomings discussed in this work, its small scale severely restricts diversity and statistical power. We introduce MacrOData, a large-scale benchmark suite for tabular OD comprising three carefully curated components: OddBench, with 790 datasets containing real-world semantic anomalies; OvrBench, with 856 datasets featuring real-world statistical outliers; and SynBench, with 800 synthetically generated datasets spanning diverse data priors and outlier archetypes. Owing to its scale and diversity, MacrOData enables comprehensive and statistically robust evaluation of tabular OD methods. Our benchmarks further satisfy several key desiderata: We provide standardized train/test splits for all datasets, public/private benchmark partitions with held-out test labels for the latter reserved toward an online leaderboard, and annotate our datasets with semantic metadata. We conduct extensive experiments across all benchmarks, evaluating a broad range of OD methods comprising classical, deep, and foundation models, over diverse hyperparameter configurations. We report detailed empirical findings, practical guidelines, as well as individual performances as references for future research. All benchmarks containing 2,446 datasets combined are open-sourced, along with a publicly accessible leaderboard hosted at https://huggingface.co/MacrOData-CMU.

Detecting out-of-distribution inputs for visual recognition models has become critical in safe deep learning. This paper proposes a novel hierarchical visual category modeling scheme to separate out-of-distribution data from in-distribution data through joint representation learning and statistical modeling. We learn a mixture of Gaussian models for each in-distribution category. There are many Gaussian mixture models to model different visual categories. With these Gaussian models, we design an in-distribution score function by aggregating multiple Mahalanobis-based metrics. We don't use any auxiliary outlier data as training samples, which may hurt the generalization ability of out-of-distribution detection algorithms. We split the ImageNet-1k dataset into ten folds randomly. We use one fold as the in-distribution dataset and the others as out-of-distribution datasets to evaluate the proposed method. We also conduct experiments on seven popular benchmarks, including CIFAR, iNaturalist, SUN, Places, Textures, ImageNet-O, and OpenImage-O. Extensive experiments indicate that the proposed method outperforms state-of-the-art algorithms clearly. Meanwhile, we find that our visual representation has a competitive performance when compared with features learned by classical methods. These results demonstrate that the proposed method hasn't weakened the discriminative ability of visual recognition models and keeps high efficiency in detecting out-of-distribution samples.

We consider the two related problems of detecting if an example is misclassified or out-of-distribution. We present a simple baseline that utilizes probabilities from softmax distributions. Correctly classified examples tend to have greater maximum softmax probabilities than erroneously classified and out-of-distribution examples, allowing for their detection. We assess performance by defining several tasks in computer vision, natural language processing, and automatic speech recognition, showing the effectiveness of this baseline across all. We then show the baseline can sometimes be surpassed, demonstrating the room for future research on these underexplored detection tasks.

Uncertainty estimation is critical for cost-sensitive deep-learning applications (i.e. disease diagnosis). It is very challenging partly due to the inaccessibility of uncertainty groundtruth in most datasets. Previous works proposed to estimate the uncertainty from softmax calibration, Monte Carlo sampling, subjective logic and so on. However, these existing methods tend to be over-confident about their predictions with unreasonably low overall uncertainty, which originates from the imbalance between positive (correct classifications) and negative (incorrect classifications) samples. For this issue, we firstly propose the distributional imbalance to model the imbalance in uncertainty estimation as two kinds of distribution biases, and secondly propose Balanced True Class Probability (BTCP) framework, which learns an uncertainty estimator with a novel Distributional Focal Loss (DFL) objective. Finally, we evaluate the BTCP in terms of failure prediction and out-of-distribution (OOD) detection on multiple datasets. The experimental results show that BTCP outperforms other uncertainty estimation methods especially in identifying incorrect classifications.

Distinguishing in- and out-of-distribution (OOD) inputs is crucial for reliable deployment of classification systems. However, OOD data is typically unavailable or difficult to collect, posing a significant challenge for accurate OOD detection. In this work, we present a method that harnesses the generative capabilities of Large Language Models (LLMs) to create high-quality synthetic OOD proxies, eliminating the dependency on any external OOD data source. We study the efficacy of our method on classical text classification tasks such as toxicity detection and sentiment classification as well as classification tasks arising in LLM development and deployment, such as training a reward model for RLHF and detecting misaligned generations. Extensive experiments on nine InD-OOD dataset pairs and various model sizes show that our approach dramatically lowers false positive rates (achieving a perfect zero in some cases) while maintaining high accuracy on in-distribution tasks, outperforming baseline methods by a significant margin.

Detecting out-of-distribution (OOD) samples is important for deploying machine learning models in safety-critical applications such as autonomous driving and robot-assisted surgery. Existing research has mainly focused on unimodal scenarios on image data. However, real-world applications are inherently multimodal, which makes it essential to leverage information from multiple modalities to enhance the efficacy of OOD detection. To establish a foundation for more realistic Multimodal OOD Detection, we introduce the first-of-its-kind benchmark, MultiOOD, characterized by diverse dataset sizes and varying modality combinations. We first evaluate existing unimodal OOD detection algorithms on MultiOOD, observing that the mere inclusion of additional modalities yields substantial improvements. This underscores the importance of utilizing multiple modalities for OOD detection. Based on the observation of Modality Prediction Discrepancy between in-distribution (ID) and OOD data, and its strong correlation with OOD performance, we propose the Agree-to-Disagree (A2D) algorithm to encourage such discrepancy during training. Moreover, we introduce a novel outlier synthesis method, NP-Mix, which explores broader feature spaces by leveraging the information from nearest neighbor classes and complements A2D to strengthen OOD detection performance. Extensive experiments on MultiOOD demonstrate that training with A2D and NP-Mix improves existing OOD detection algorithms by a large margin. Our source code and MultiOOD benchmark are available at https://github.com/donghao51/MultiOOD.

Before deployment in the real-world deep neural networks require thorough evaluation of how they handle both knowns, inputs represented in the training data, and unknowns (anomalies). This is especially important for scene understanding tasks with safety critical applications, such as in autonomous driving. Existing datasets allow evaluation of only knowns or unknowns - but not both, which is required to establish "in the wild" suitability of deep neural network models. To bridge this gap, we propose a novel anomaly segmentation dataset, ISSU, that features a diverse set of anomaly inputs from cluttered real-world environments. The dataset is twice larger than existing anomaly segmentation datasets, and provides a training, validation and test set for controlled in-domain evaluation. The test set consists of a static and temporal part, with the latter comprised of videos. The dataset provides annotations for both closed-set (knowns) and anomalies, enabling closed-set and open-set evaluation. The dataset covers diverse conditions, such as domain and cross-sensor shift, illumination variation and allows ablation of anomaly detection methods with respect to these variations. Evaluation results of current state-of-the-art methods confirm the need for improvements especially in domain-generalization, small and large object segmentation.

Out-of-distribution (OOD) detection is critical for ensuring the reliability of deep learning models in open-world applications. While post-hoc methods are favored for their efficiency and ease of deployment, existing approaches often underexploit the rich information embedded in the model's logits space. In this paper, we propose LogitGap, a novel post-hoc OOD detection method that explicitly exploits the relationship between the maximum logit and the remaining logits to enhance the separability between in-distribution (ID) and OOD samples. To further improve its effectiveness, we refine LogitGap by focusing on a more compact and informative subset of the logit space. Specifically, we introduce a training-free strategy that automatically identifies the most informative logits for scoring. We provide both theoretical analysis and empirical evidence to validate the effectiveness of our approach. Extensive experiments on both vision-language and vision-only models demonstrate that LogitGap consistently achieves state-of-the-art performance across diverse OOD detection scenarios and benchmarks. Code is available at https://github.com/GIT-LJc/LogitGap.

Unit testing is an essential part of the software development process, which helps to identify issues with source code in early stages of development and prevent regressions. Machine learning has emerged as viable approach to help software developers generate automated unit tests. However, generating reliable unit test cases that are semantically correct and capable of catching software bugs or unintended behavior via machine learning requires large, metadata-rich, datasets. In this paper we present Methods2Test: A dataset of focal methods mapped to test cases: a large, supervised dataset of test cases mapped to corresponding methods under test (i.e., focal methods). This dataset contains 780,944 pairs of JUnit tests and focal methods, extracted from a total of 91,385 Java open source projects hosted on GitHub with licenses permitting re-distribution. The main challenge behind the creation of the Methods2Test was to establish a reliable mapping between a test case and the relevant focal method. To this aim, we designed a set of heuristics, based on developers' best practices in software testing, which identify the likely focal method for a given test case. To facilitate further analysis, we store a rich set of metadata for each method-test pair in JSON-formatted files. Additionally, we extract textual corpus from the dataset at different context levels, which we provide both in raw and tokenized forms, in order to enable researchers to train and evaluate machine learning models for Automated Test Generation. Methods2Test is publicly available at: https://github.com/microsoft/methods2test

Test-time adaptation (TTA) aims to address the distribution shift between the training and test data with only unlabeled data at test time. Existing TTA methods often focus on improving recognition performance specifically for test data associated with classes in the training set. However, during the open-world inference process, there are inevitably test data instances from unknown classes, commonly referred to as outliers. This paper pays attention to the problem that conducts both sample recognition and outlier rejection during inference while outliers exist. To address this problem, we propose a new approach called STAble Memory rePlay (STAMP), which performs optimization over a stable memory bank instead of the risky mini-batch. In particular, the memory bank is dynamically updated by selecting low-entropy and label-consistent samples in a class-balanced manner. In addition, we develop a self-weighted entropy minimization strategy that assigns higher weight to low-entropy samples. Extensive results demonstrate that STAMP outperforms existing TTA methods in terms of both recognition and outlier detection performance. The code is released at https://github.com/yuyongcan/STAMP.

Out-of-distribution (OOD) detection aims at identifying samples from unknown classes, playing a crucial role in trustworthy models against errors on unexpected inputs. Extensive research has been dedicated to exploring OOD detection in the vision modality. Vision-language models (VLMs) can leverage both textual and visual information for various multi-modal applications, whereas few OOD detection methods take into account information from the text modality. In this paper, we propose a novel post hoc OOD detection method, called NegLabel, which takes a vast number of negative labels from extensive corpus databases. We design a novel scheme for the OOD score collaborated with negative labels. Theoretical analysis helps to understand the mechanism of negative labels. Extensive experiments demonstrate that our method NegLabel achieves state-of-the-art performance on various OOD detection benchmarks and generalizes well on multiple VLM architectures. Furthermore, our method NegLabel exhibits remarkable robustness against diverse domain shifts. The codes are available at https://github.com/tmlr-group/NegLabel.

Out-of-distribution (OOD) detection holds significant importance across many applications. While semantic and domain-shift OOD problems are well-studied, this work focuses on covariate shifts - subtle variations in the data distribution that can degrade machine learning performance. We hypothesize that detecting these subtle shifts can improve our understanding of in-distribution boundaries, ultimately improving OOD detection. In adversarial discriminators trained with Batch Normalization (BN), real and adversarial samples form distinct domains with unique batch statistics - a property we exploit for OOD detection. We introduce DisCoPatch, an unsupervised Adversarial Variational Autoencoder (VAE) framework that harnesses this mechanism. During inference, batches consist of patches from the same image, ensuring a consistent data distribution that allows the model to rely on batch statistics. DisCoPatch uses the VAE's suboptimal outputs (generated and reconstructed) as negative samples to train the discriminator, thereby improving its ability to delineate the boundary between in-distribution samples and covariate shifts. By tightening this boundary, DisCoPatch achieves state-of-the-art results in public OOD detection benchmarks. The proposed model not only excels in detecting covariate shifts, achieving 95.5% AUROC on ImageNet-1K(-C) but also outperforms all prior methods on public Near-OOD (95.0%) benchmarks. With a compact model size of 25MB, it achieves high OOD detection performance at notably lower latency than existing methods, making it an efficient and practical solution for real-world OOD detection applications. The code is publicly available.

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.

Large language models are trained on vast amounts of internet data, prompting concerns and speculation that they have memorized public benchmarks. Going from speculation to proof of contamination is challenging, as the pretraining data used by proprietary models are often not publicly accessible. We show that it is possible to provide provable guarantees of test set contamination in language models without access to pretraining data or model weights. Our approach leverages the fact that when there is no data contamination, all orderings of an exchangeable benchmark should be equally likely. In contrast, the tendency for language models to memorize example order means that a contaminated language model will find certain canonical orderings to be much more likely than others. Our test flags potential contamination whenever the likelihood of a canonically ordered benchmark dataset is significantly higher than the likelihood after shuffling the examples. We demonstrate that our procedure is sensitive enough to reliably prove test set contamination in challenging situations, including models as small as 1.4 billion parameters, on small test sets of only 1000 examples, and datasets that appear only a few times in the pretraining corpus. Using our test, we audit five popular publicly accessible language models for test set contamination and find little evidence for pervasive contamination.

Out-of-Distribution (OOD) detection, aiming to distinguish outliers from known categories, has gained prominence in practical scenarios. Recently, the advent of vision-language models (VLM) has heightened interest in enhancing OOD detection for VLM through few-shot tuning. However, existing methods mainly focus on optimizing global prompts, ignoring refined utilization of local information with regard to outliers. Motivated by this, we freeze global prompts and introduce Local-Prompt, a novel coarse-to-fine tuning paradigm to emphasize regional enhancement with local prompts. Our method comprises two integral components: global prompt guided negative augmentation and local prompt enhanced regional regularization. The former utilizes frozen, coarse global prompts as guiding cues to incorporate negative augmentation, thereby leveraging local outlier knowledge. The latter employs trainable local prompts and a regional regularization to capture local information effectively, aiding in outlier identification. We also propose regional-related metric to empower the enrichment of OOD detection. Moreover, since our approach explores enhancing local prompts only, it can be seamlessly integrated with trained global prompts during inference to boost the performance. Comprehensive experiments demonstrate the effectiveness and potential of our method. Notably, our method reduces average FPR95 by 5.17% against state-of-the-art method in 4-shot tuning on challenging ImageNet-1k dataset, even outperforming 16-shot results of previous methods. Code is released at https://github.com/AuroraZengfh/Local-Prompt.

Most of the existing Out-Of-Distribution (OOD) detection algorithms depend on single input source: the feature, the logit, or the softmax probability. However, the immense diversity of the OOD examples makes such methods fragile. There are OOD samples that are easy to identify in the feature space while hard to distinguish in the logit space and vice versa. Motivated by this observation, we propose a novel OOD scoring method named Virtual-logit Matching (ViM), which combines the class-agnostic score from feature space and the In-Distribution (ID) class-dependent logits. Specifically, an additional logit representing the virtual OOD class is generated from the residual of the feature against the principal space, and then matched with the original logits by a constant scaling. The probability of this virtual logit after softmax is the indicator of OOD-ness. To facilitate the evaluation of large-scale OOD detection in academia, we create a new OOD dataset for ImageNet-1K, which is human-annotated and is 8.8x the size of existing datasets. We conducted extensive experiments, including CNNs and vision transformers, to demonstrate the effectiveness of the proposed ViM score. In particular, using the BiT-S model, our method gets an average AUROC 90.91% on four difficult OOD benchmarks, which is 4% ahead of the best baseline. Code and dataset are available at https://github.com/haoqiwang/vim.

Pre-trained vision-language models have exhibited remarkable abilities in detecting out-of-distribution (OOD) samples. However, some challenging OOD samples, which lie close to in-distribution (InD) data in image feature space, can still lead to misclassification. The emergence of foundation models like diffusion models and multimodal large language models (MLLMs) offers a potential solution to this issue. In this work, we propose SynOOD, a novel approach that harnesses foundation models to generate synthetic, challenging OOD data for fine-tuning CLIP models, thereby enhancing boundary-level discrimination between InD and OOD samples. Our method uses an iterative in-painting process guided by contextual prompts from MLLMs to produce nuanced, boundary-aligned OOD samples. These samples are refined through noise adjustments based on gradients from OOD scores like the energy score, effectively sampling from the InD/OOD boundary. With these carefully synthesized images, we fine-tune the CLIP image encoder and negative label features derived from the text encoder to strengthen connections between near-boundary OOD samples and a set of negative labels. Finally, SynOOD achieves state-of-the-art performance on the large-scale ImageNet benchmark, with minimal increases in parameters and runtime. Our approach significantly surpasses existing methods, and the code is available at https://github.com/Jarvisgivemeasuit/SynOOD.

Out-of-distribution (OOD) object detection is a challenging task due to the absence of open-set OOD data. Inspired by recent advancements in text-to-image generative models, such as Stable Diffusion, we study the potential of generative models trained on large-scale open-set data to synthesize OOD samples, thereby enhancing OOD object detection. We introduce SyncOOD, a simple data curation method that capitalizes on the capabilities of large foundation models to automatically extract meaningful OOD data from text-to-image generative models. This offers the model access to open-world knowledge encapsulated within off-the-shelf foundation models. The synthetic OOD samples are then employed to augment the training of a lightweight, plug-and-play OOD detector, thus effectively optimizing the in-distribution (ID)/OOD decision boundaries. Extensive experiments across multiple benchmarks demonstrate that SyncOOD significantly outperforms existing methods, establishing new state-of-the-art performance with minimal synthetic data usage.

Large datasets have become commonplace in NLP research. However, the increased emphasis on data quantity has made it challenging to assess the quality of data. We introduce Data Maps---a model-based tool to characterize and diagnose datasets. We leverage a largely ignored source of information: the behavior of the model on individual instances during training (training dynamics) for building data maps. This yields two intuitive measures for each example---the model's confidence in the true class, and the variability of this confidence across epochs---obtained in a single run of training. Experiments across four datasets show that these model-dependent measures reveal three distinct regions in the data map, each with pronounced characteristics. First, our data maps show the presence of "ambiguous" regions with respect to the model, which contribute the most towards out-of-distribution generalization. Second, the most populous regions in the data are "easy to learn" for the model, and play an important role in model optimization. Finally, data maps uncover a region with instances that the model finds "hard to learn"; these often correspond to labeling errors. Our results indicate that a shift in focus from quantity to quality of data could lead to robust models and improved out-of-distribution generalization.

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.

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.

Outliers introduce significant training challenges in neural networks by propagating erroneous gradients, which can degrade model performance and generalization. We propose the Z-Error Loss, a statistically principled approach that minimizes outlier influence during training by masking the contribution of data points identified as out-of-distribution within each batch. This method leverages batch-level statistics to automatically detect and exclude anomalous samples, allowing the model to focus its learning on the true underlying data structure. Our approach is robust, adaptive to data quality, and provides valuable diagnostics for data curation and cleaning.

While there has been a growing research interest in developing out-of-distribution (OOD) detection methods, there has been comparably little discussion around how these methods should be evaluated. Given their relevance for safe(r) AI, it is important to examine whether the basis for comparing OOD detection methods is consistent with practical needs. In this work, we take a closer look at the go-to metrics for evaluating OOD detection, and question the approach of exclusively reducing OOD detection to a binary classification task with little consideration for the detection threshold. We illustrate the limitations of current metrics (AUROC & its friends) and propose a new metric - Area Under the Threshold Curve (AUTC), which explicitly penalizes poor separation between ID and OOD samples. Scripts and data are available at https://github.com/glhr/beyond-auroc

Out-of-distribution (OOD) detection is crucial for the safe deployment of neural networks. Existing CLIP-based approaches perform OOD detection by devising novel scoring functions or sophisticated fine-tuning methods. In this work, we propose SeTAR, a novel, training-free OOD detection method that leverages selective low-rank approximation of weight matrices in vision-language and vision-only models. SeTAR enhances OOD detection via post-hoc modification of the model's weight matrices using a simple greedy search algorithm. Based on SeTAR, we further propose SeTAR+FT, a fine-tuning extension optimizing model performance for OOD detection tasks. Extensive evaluations on ImageNet1K and Pascal-VOC benchmarks show SeTAR's superior performance, reducing the relatively false positive rate by up to 18.95% and 36.80% compared to zero-shot and fine-tuning baselines. Ablation studies further validate SeTAR's effectiveness, robustness, and generalizability across different model backbones. Our work offers a scalable, efficient solution for OOD detection, setting a new state-of-the-art in this area.

Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets improve model accuracy and generalization but are computationally expensive to produce and train on, while smaller datasets risk discarding rare but important atomic environments and compromising MLIP accuracy/reliability. Here, we develop an information-theoretical framework to quantify the efficiency of dataset compression methods and propose an algorithm that maximizes this efficiency. By framing atomistic dataset compression as an instance of the minimum set cover (MSC) problem over atom-centered environments, our method identifies the smallest subset of structures that contains as much information as possible from the original dataset while pruning redundant information. The approach is extensively demonstrated on the GAP-20 and TM23 datasets, and validated on 64 varied datasets from the ColabFit repository. Across all cases, MSC consistently retains outliers, preserves dataset diversity, and reproduces the long-tail distributions of forces even at high compression rates, outperforming other subsampling methods. Furthermore, MLIPs trained on MSC-compressed datasets exhibit reduced error for out-of-distribution data even in low-data regimes. We explain these results using an outlier analysis and show that such quantitative conclusions could not be achieved with conventional dimensionality reduction methods. The algorithm is implemented in the open-source QUESTS package and can be used for several tasks in atomistic modeling, from data subsampling, outlier detection, and training improved MLIPs at a lower cost.

This paper introduces misinfo-general, a benchmark dataset for evaluating misinformation models' ability to perform out-of-distribution generalisation. Misinformation changes rapidly, much quicker than moderators can annotate at scale, resulting in a shift between the training and inference data distributions. As a result, misinformation models need to be able to perform out-of-distribution generalisation, an understudied problem in existing datasets. We identify 6 axes of generalisation-time, event, topic, publisher, political bias, misinformation type-and design evaluation procedures for each. We also analyse some baseline models, highlighting how these fail important desiderata.

The training data for many Large Language Models (LLMs) is contaminated with test data. This means that public benchmarks used to assess LLMs are compromised, suggesting a performance gap between benchmark scores and actual capabilities. Ideally, a private holdout set could be used to accurately verify scores. Unfortunately, such datasets do not exist for most benchmarks, and post-hoc construction of sufficiently similar datasets is non-trivial. To address these issues, we introduce a systematic methodology for (i) retrospectively constructing a holdout dataset for a target dataset, (ii) demonstrating the statistical indistinguishability of this retro-holdout dataset, and (iii) comparing LLMs on the two datasets to quantify the performance gap due to the dataset's public availability. Applying these methods to TruthfulQA, we construct and release Retro-Misconceptions, on which we evaluate twenty LLMs and find that some have inflated scores by as much as 16 percentage points. Our results demonstrate that public benchmark scores do not always accurately assess model properties, and underscore the importance of improved data practices in the field.

Detecting out-of-distribution (OOD) data is crucial in machine learning applications to mitigate the risk of model overconfidence, thereby enhancing the reliability and safety of deployed systems. The majority of existing OOD detection methods predominantly address uni-modal inputs, such as images or texts. In the context of multi-modal documents, there is a notable lack of extensive research on the performance of these methods, which have primarily been developed with a focus on computer vision tasks. We propose a novel methodology termed as attention head masking (AHM) for multi-modal OOD tasks in document classification systems. Our empirical results demonstrate that the proposed AHM method outperforms all state-of-the-art approaches and significantly decreases the false positive rate (FPR) compared to existing solutions up to 7.5\%. This methodology generalizes well to multi-modal data, such as documents, where visual and textual information are modeled under the same Transformer architecture. To address the scarcity of high-quality publicly available document datasets and encourage further research on OOD detection for documents, we introduce FinanceDocs, a new document AI dataset. Our code and dataset are publicly available.

The proliferation of large language models (LLMs) in the real world has come with a rise in copyright cases against companies for training their models on unlicensed data from the internet. Recent works have presented methods to identify if individual text sequences were members of the model's training data, known as membership inference attacks (MIAs). We demonstrate that the apparent success of these MIAs is confounded by selecting non-members (text sequences not used for training) belonging to a different distribution from the members (e.g., temporally shifted recent Wikipedia articles compared with ones used to train the model). This distribution shift makes membership inference appear successful. However, most MIA methods perform no better than random guessing when discriminating between members and non-members from the same distribution (e.g., in this case, the same period of time). Even when MIAs work, we find that different MIAs succeed at inferring membership of samples from different distributions. Instead, we propose a new dataset inference method to accurately identify the datasets used to train large language models. This paradigm sits realistically in the modern-day copyright landscape, where authors claim that an LLM is trained over multiple documents (such as a book) written by them, rather than one particular paragraph. While dataset inference shares many of the challenges of membership inference, we solve it by selectively combining the MIAs that provide positive signal for a given distribution, and aggregating them to perform a statistical test on a given dataset. Our approach successfully distinguishes the train and test sets of different subsets of the Pile with statistically significant p-values < 0.1, without any false positives.

Ensembles of independently trained neural networks are a state-of-the-art approach to estimate predictive uncertainty in Deep Learning, and can be interpreted as an approximation of the posterior distribution via a mixture of delta functions. The training of ensembles relies on non-convexity of the loss landscape and random initialization of their individual members, making the resulting posterior approximation uncontrolled. This paper proposes a novel and principled method to tackle this limitation, minimizing an f-divergence between the true posterior and a kernel density estimator (KDE) in a function space. We analyze this objective from a combinatorial point of view, and show that it is submodular with respect to mixture components for any f. Subsequently, we consider the problem of greedy ensemble construction. From the marginal gain on the negative f-divergence, which quantifies an improvement in posterior approximation yielded by adding a new component into the KDE, we derive a novel diversity term for ensemble methods. The performance of our approach is demonstrated on computer vision out-of-distribution detection benchmarks in a range of architectures trained on multiple datasets. The source code of our method is made publicly available at https://github.com/Oulu-IMEDS/greedy_ensembles_training.

In monocular depth estimation, uncertainty estimation approaches mainly target the data uncertainty introduced by image noise. In contrast to prior work, we address the uncertainty due to lack of knowledge, which is relevant for the detection of data not represented by the training distribution, the so-called out-of-distribution (OOD) data. Motivated by anomaly detection, we propose to detect OOD images from an encoder-decoder depth estimation model based on the reconstruction error. Given the features extracted with the fixed depth encoder, we train an image decoder for image reconstruction using only in-distribution data. Consequently, OOD images result in a high reconstruction error, which we use to distinguish between in- and out-of-distribution samples. We built our experiments on the standard NYU Depth V2 and KITTI benchmarks as in-distribution data. Our post hoc method performs astonishingly well on different models and outperforms existing uncertainty estimation approaches without modifying the trained encoder-decoder depth estimation model.

Typical neural network trainings have substantial variance in test-set performance between repeated runs, impeding hyperparameter comparison and training reproducibility. We present the following results towards understanding this variation. (1) Despite having significant variance on their test-sets, we demonstrate that standard CIFAR-10 and ImageNet trainings have very little variance in their performance on the test-distributions from which those test-sets are sampled, suggesting that variance is less of a practical issue than previously thought. (2) We present a simplifying statistical assumption which closely approximates the structure of the test-set accuracy distribution. (3) We argue that test-set variance is inevitable in the following two senses. First, we show that variance is largely caused by high sensitivity of the training process to initial conditions, rather than by specific sources of randomness like the data order and augmentations. Second, we prove that variance is unavoidable given the observation that ensembles of trained networks are well-calibrated. (4) We conduct preliminary studies of distribution-shift, fine-tuning, data augmentation and learning rate through the lens of variance between runs.

Dataset Distillation has emerged as a technique for compressing large datasets into smaller synthetic counterparts, facilitating downstream training tasks. In this paper, we study the impact of bias inside the original dataset on the performance of dataset distillation. With a comprehensive empirical evaluation on canonical datasets with color, corruption and background biases, we found that color and background biases in the original dataset will be amplified through the distillation process, resulting in a notable decline in the performance of models trained on the distilled dataset, while corruption bias is suppressed through the distillation process. To reduce bias amplification in dataset distillation, we introduce a simple yet highly effective approach based on a sample reweighting scheme utilizing kernel density estimation. Empirical results on multiple real-world and synthetic datasets demonstrate the effectiveness of the proposed method. Notably, on CMNIST with 5% bias-conflict ratio and IPC 50, our method achieves 91.5% test accuracy compared to 23.8% from vanilla DM, boosting the performance by 67.7%, whereas applying state-of-the-art debiasing method on the same dataset only achieves 53.7% accuracy. Our findings highlight the importance of addressing biases in dataset distillation and provide a promising avenue to address bias amplification in the process.

Outlier detection refers to the identification of data points that deviate from a general data distribution. Existing unsupervised approaches often suffer from high computational cost, complex hyperparameter tuning, and limited interpretability, especially when working with large, high-dimensional datasets. To address these issues, we present a simple yet effective algorithm called ECOD (Empirical-Cumulative-distribution-based Outlier Detection), which is inspired by the fact that outliers are often the "rare events" that appear in the tails of a distribution. In a nutshell, ECOD first estimates the underlying distribution of the input data in a nonparametric fashion by computing the empirical cumulative distribution per dimension of the data. ECOD then uses these empirical distributions to estimate tail probabilities per dimension for each data point. Finally, ECOD computes an outlier score of each data point by aggregating estimated tail probabilities across dimensions. Our contributions are as follows: (1) we propose a novel outlier detection method called ECOD, which is both parameter-free and easy to interpret; (2) we perform extensive experiments on 30 benchmark datasets, where we find that ECOD outperforms 11 state-of-the-art baselines in terms of accuracy, efficiency, and scalability; and (3) we release an easy-to-use and scalable (with distributed support) Python implementation for accessibility and reproducibility.

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.

Diagnosing and cleaning data is a crucial step for building robust machine learning systems. However, identifying problems within large-scale datasets with real-world distributions is challenging due to the presence of complex issues such as label errors, under-representation, and outliers. In this paper, we propose a unified approach for identifying the problematic data by utilizing a largely ignored source of information: a relational structure of data in the feature-embedded space. To this end, we present scalable and effective algorithms for detecting label errors and outlier data based on the relational graph structure of data. We further introduce a visualization tool that provides contextual information of a data point in the feature-embedded space, serving as an effective tool for interactively diagnosing data. We evaluate the label error and outlier/out-of-distribution (OOD) detection performances of our approach on the large-scale image, speech, and language domain tasks, including ImageNet, ESC-50, and SST2. Our approach achieves state-of-the-art detection performance on all tasks considered and demonstrates its effectiveness in debugging large-scale real-world datasets across various domains. We release codes at https://github.com/snu-mllab/Neural-Relation-Graph.

The ability of the deep learning model to recognize when a sample falls outside its learned distribution is critical for safe and reliable deployment. Recent state-of-the-art out-of-distribution (OOD) detection methods leverage activation shaping to improve the separation between in-distribution (ID) and OOD inputs. These approaches resort to sample-specific scaling but apply a static percentile threshold across all samples regardless of their nature, resulting in suboptimal ID-OOD separability. In this work, we propose AdaSCALE, an adaptive scaling procedure that dynamically adjusts the percentile threshold based on a sample's estimated OOD likelihood. This estimation leverages our key observation: OOD samples exhibit significantly more pronounced activation shifts at high-magnitude activations under minor perturbation compared to ID samples. AdaSCALE enables stronger scaling for likely ID samples and weaker scaling for likely OOD samples, yielding highly separable energy scores. Our approach achieves state-of-the-art OOD detection performance, outperforming the latest rival OptFS by 14.94 in near-OOD and 21.67 in far-OOD datasets in average FPR@95 metric on the ImageNet-1k benchmark across eight diverse architectures. The code is available at: https://github.com/sudarshanregmi/AdaSCALE/

Dataset summarisation is a fruitful approach to dataset inspection. However, when applied to a single dataset the discovery of visual concepts is restricted to those most prominent. We argue that a comparative approach can expand upon this paradigm to enable richer forms of dataset inspection that go beyond the most prominent concepts. To enable dataset comparison we present a module that learns concept-level prototypes across datasets. We leverage self-supervised learning to discover these prototypes without supervision, and we demonstrate the benefits of our approach in two case-studies. Our findings show that dataset comparison extends dataset inspection and we hope to encourage more works in this direction. Code and usage instructions available at https://github.com/Nanne/ProtoSim

Due to the expanding capabilities and pre-training data, Large Language Models (LLMs) are facing increasingly serious evaluation challenges. On one hand, the data leakage issue cause over-estimation on existing benchmarks. On the other hand, periodically curating datasets manually is costly. In this paper, we propose to automate dataset updates for reliable and timely evaluation. The basic idea is to generate unseen and high-quality testing samples based on existing ones to mitigate leakage issues. In specific, we propose two strategies with systematically verification. First, the mimicking strategy employs LLMs to create new samples resembling existing ones, to the maximum extent preserving the stylistic of the original dataset. Our experiments demonstrate its evaluation stability across multiple instantiations and its effectiveness in dealing with data leakage issues in most cases. Second, for the cases that mimicking dataset works poorly, we design an extending strategy that adjusts the difficulty of the generated samples according to varying cognitive levels. This not only makes our evaluation more systematic, but also, with a balanced difficulty, even discern model capabilities better at fine-grained levels.

Rapid advancement of machine learning solutions has often coincided with the production of a test public data set. Such datasets reduce the largest barrier to entry for tackling a problem -- procuring data -- while also providing a benchmark to compare different solutions. Furthermore, large datasets have been used to train high-performing feature finders which are then used in new approaches to problems beyond that initially defined. In order to encourage the rapid development in the analysis of data collected using liquid argon time projection chambers, a class of particle detectors used in high energy physics experiments, we have produced the PILArNet, first 2D and 3D open dataset to be used for a couple of key analysis tasks. The initial dataset presented in this paper contains 300,000 samples simulated and recorded in three different volume sizes. The dataset is stored efficiently in sparse 2D and 3D matrix format with auxiliary information about simulated particles in the volume, and is made available for public research use. In this paper we describe the dataset, tasks, and the method used to procure the sample.

Detecting out-of-distribution (OOD) samples in medical imaging plays an important role for downstream medical diagnosis. However, existing OOD detectors are demonstrated on natural images composed of inter-classes and have difficulty generalizing to medical images. The key issue is the granularity of OOD data in the medical domain, where intra-class OOD samples are predominant. We focus on the generalizability of OOD detection for medical images and propose a self-supervised Cascade Variational autoencoder-based Anomaly Detector (CVAD). We use a variational autoencoders' cascade architecture, which combines latent representation at multiple scales, before being fed to a discriminator to distinguish the OOD data from the in-distribution (ID) data. Finally, both the reconstruction error and the OOD probability predicted by the binary discriminator are used to determine the anomalies. We compare the performance with the state-of-the-art deep learning models to demonstrate our model's efficacy on various open-access medical imaging datasets for both intra- and inter-class OOD. Further extensive results on datasets including common natural datasets show our model's effectiveness and generalizability. The code is available at https://github.com/XiaoyuanGuo/CVAD.

NLP models often rely on superficial cues known as dataset biases to achieve impressive performance, and can fail on examples where these biases do not hold. Recent work sought to develop robust, unbiased models by filtering biased examples from training sets. In this work, we argue that such filtering can obscure the true capabilities of models to overcome biases, which might never be removed in full from the dataset. We suggest that in order to drive the development of models robust to subtle biases, dataset biases should be amplified in the training set. We introduce an evaluation framework defined by a bias-amplified training set and an anti-biased test set, both automatically extracted from existing datasets. Experiments across three notions of bias, four datasets and two models show that our framework is substantially more challenging for models than the original data splits, and even more challenging than hand-crafted challenge sets. Our evaluation framework can use any existing dataset, even those considered obsolete, to test model robustness. We hope our work will guide the development of robust models that do not rely on superficial biases and correlations. To this end, we publicly release our code and data.

Effective out-of-distribution (OOD) detection is crucial for reliable machine learning models, yet most current methods are limited in practical use due to requirements like access to training data or intervention in training. We present a novel method for detecting OOD data in Transformers based on transformation smoothness between intermediate layers of a network (BLOOD), which is applicable to pre-trained models without access to training data. BLOOD utilizes the tendency of between-layer representation transformations of in-distribution (ID) data to be smoother than the corresponding transformations of OOD data, a property that we also demonstrate empirically. We evaluate BLOOD on several text classification tasks with Transformer networks and demonstrate that it outperforms methods with comparable resource requirements. Our analysis also suggests that when learning simpler tasks, OOD data transformations maintain their original sharpness, whereas sharpness increases with more complex tasks.

In recent years, active learning has been successfully applied to an array of NLP tasks. However, prior work often assumes that training and test data are drawn from the same distribution. This is problematic, as in real-life settings data may stem from several sources of varying relevance and quality. We show that four popular active learning schemes fail to outperform random selection when applied to unlabelled pools comprised of multiple data sources on the task of natural language inference. We reveal that uncertainty-based strategies perform poorly due to the acquisition of collective outliers, i.e., hard-to-learn instances that hamper learning and generalization. When outliers are removed, strategies are found to recover and outperform random baselines. In further analysis, we find that collective outliers vary in form between sources, and show that hard-to-learn data is not always categorically harmful. Lastly, we leverage dataset cartography to introduce difficulty-stratified testing and find that different strategies are affected differently by example learnability and difficulty.

A key challenge in graph out-of-distribution (OOD) detection lies in the absence of ground-truth OOD samples during training. Existing methods are typically optimized to capture features within the in-distribution (ID) data and calculate OOD scores, which often limits pre-trained models from representing distributional boundaries, leading to unreliable OOD detection. Moreover, the latent structure of graph data is often governed by multiple underlying factors, which remains less explored. To address these challenges, we propose a novel test-time graph OOD detection method, termed BaCa, that calibrates OOD scores using dual dynamically updated dictionaries without requiring fine-tuning the pre-trained model. Specifically, BaCa estimates graphons and applies a mix-up strategy solely with test samples to generate diverse boundary-aware discriminative topologies, eliminating the need for exposing auxiliary datasets as outliers. We construct dual dynamic dictionaries via priority queues and attention mechanisms to adaptively capture latent ID and OOD representations, which are then utilized for boundary-aware OOD score calibration. To the best of our knowledge, extensive experiments on real-world datasets show that BaCa significantly outperforms existing state-of-the-art methods in OOD detection.

We identify label errors in the test sets of 10 of the most commonly-used computer vision, natural language, and audio datasets, and subsequently study the potential for these label errors to affect benchmark results. Errors in test sets are numerous and widespread: we estimate an average of at least 3.3% errors across the 10 datasets, where for example label errors comprise at least 6% of the ImageNet validation set. Putative label errors are identified using confident learning algorithms and then human-validated via crowdsourcing (51% of the algorithmically-flagged candidates are indeed erroneously labeled, on average across the datasets). Traditionally, machine learning practitioners choose which model to deploy based on test accuracy - our findings advise caution here, proposing that judging models over correctly labeled test sets may be more useful, especially for noisy real-world datasets. Surprisingly, we find that lower capacity models may be practically more useful than higher capacity models in real-world datasets with high proportions of erroneously labeled data. For example, on ImageNet with corrected labels: ResNet-18 outperforms ResNet-50 if the prevalence of originally mislabeled test examples increases by just 6%. On CIFAR-10 with corrected labels: VGG-11 outperforms VGG-19 if the prevalence of originally mislabeled test examples increases by just 5%. Test set errors across the 10 datasets can be viewed at https://labelerrors.com and all label errors can be reproduced by https://github.com/cleanlab/label-errors.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

Machine learning systems deployed in the wild are often trained on a source distribution but deployed on a different target distribution. Unlabeled data can be a powerful point of leverage for mitigating these distribution shifts, as it is frequently much more available than labeled data and can often be obtained from distributions beyond the source distribution as well. However, existing distribution shift benchmarks with unlabeled data do not reflect the breadth of scenarios that arise in real-world applications. In this work, we present the WILDS 2.0 update, which extends 8 of the 10 datasets in the WILDS benchmark of distribution shifts to include curated unlabeled data that would be realistically obtainable in deployment. These datasets span a wide range of applications (from histology to wildlife conservation), tasks (classification, regression, and detection), and modalities (photos, satellite images, microscope slides, text, molecular graphs). The update maintains consistency with the original WILDS benchmark by using identical labeled training, validation, and test sets, as well as the evaluation metrics. On these datasets, we systematically benchmark state-of-the-art methods that leverage unlabeled data, including domain-invariant, self-training, and self-supervised methods, and show that their success on WILDS is limited. To facilitate method development and evaluation, we provide an open-source package that automates data loading and contains all of the model architectures and methods used in this paper. Code and leaderboards are available at https://wilds.stanford.edu.

Out-of-distribution (OOD) prediction is often approached by restricting models to causal or invariant covariates, avoiding non-causal spurious associations that may be unstable across environments. Despite its theoretical appeal, this strategy frequently underperforms empirical risk minimization (ERM) in practice. We investigate the source of this gap and show that such failures naturally arise when only a subset of the true causes of the outcome is observed. In these settings, non-causal spurious covariates can serve as informative proxies for unobserved causes and substantially improve prediction, except under distribution shifts that break these proxy relationships. Consequently, the optimal set of predictive covariates is neither universal nor necessarily exhibits invariant relationships with the outcome across all environments, but instead depends on the specific type of shift encountered. Crucially, we observe that different covariate shifts induce distinct, observable signatures in the covariate distribution itself. Moreover, these signatures can be extracted from unlabeled data in the target OOD environment and used to assess when proxy covariates remain reliable and when they fail. Building on this observation, we propose an environment-adaptive covariate selection (EACS) algorithm that maps environment-level covariate summaries to environment-specific covariate sets, while allowing the incorporation of prior causal knowledge as constraints. Across simulations and applied datasets, EACS consistently outperforms static causal, invariant, and ERM-based predictors under diverse distribution shifts.

Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.

Deep generative models have been demonstrated as state-of-the-art density estimators. Yet, recent work has found that they often assign a higher likelihood to data from outside the training distribution. This seemingly paradoxical behavior has caused concerns over the quality of the attained density estimates. In the context of hierarchical variational autoencoders, we provide evidence to explain this behavior by out-of-distribution data having in-distribution low-level features. We argue that this is both expected and desirable behavior. With this insight in hand, we develop a fast, scalable and fully unsupervised likelihood-ratio score for OOD detection that requires data to be in-distribution across all feature-levels. We benchmark the method on a vast set of data and model combinations and achieve state-of-the-art results on out-of-distribution detection.

Anomaly detection (AD) is a crucial machine learning task that aims to learn patterns from a set of normal training samples to identify abnormal samples in test data. Most existing AD studies assume that the training and test data are drawn from the same data distribution, but the test data can have large distribution shifts arising in many real-world applications due to different natural variations such as new lighting conditions, object poses, or background appearances, rendering existing AD methods ineffective in such cases. In this paper, we consider the problem of anomaly detection under distribution shift and establish performance benchmarks on three widely-used AD and out-of-distribution (OOD) generalization datasets. We demonstrate that simple adaptation of state-of-the-art OOD generalization methods to AD settings fails to work effectively due to the lack of labeled anomaly data. We further introduce a novel robust AD approach to diverse distribution shifts by minimizing the distribution gap between in-distribution and OOD normal samples in both the training and inference stages in an unsupervised way. Our extensive empirical results on the three datasets show that our approach substantially outperforms state-of-the-art AD methods and OOD generalization methods on data with various distribution shifts, while maintaining the detection accuracy on in-distribution data.

Many machine learning algorithms are trained and evaluated by splitting data from a single source into training and test sets. While such focus on in-distribution learning scenarios has led to interesting advancement, it has not been able to tell if models are relying on dataset biases as shortcuts for successful prediction (e.g., using snow cues for recognising snowmobiles), resulting in biased models that fail to generalise when the bias shifts to a different class. The cross-bias generalisation problem has been addressed by de-biasing training data through augmentation or re-sampling, which are often prohibitive due to the data collection cost (e.g., collecting images of a snowmobile on a desert) and the difficulty of quantifying or expressing biases in the first place. In this work, we propose a novel framework to train a de-biased representation by encouraging it to be different from a set of representations that are biased by design. This tactic is feasible in many scenarios where it is much easier to define a set of biased representations than to define and quantify bias. We demonstrate the efficacy of our method across a variety of synthetic and real-world biases; our experiments show that the method discourages models from taking bias shortcuts, resulting in improved generalisation. Source code is available at https://github.com/clovaai/rebias.

In this paper we consider contamination by code generation test sets, in particular in their use in modern large language models. We discuss three possible sources of such contamination and show findings supporting each of them: (i) direct data leakage, (ii) indirect data leakage through the use of synthetic data and (iii) overfitting to evaluation sets during model selection. Key to our findings is a new dataset of 161 prompts with their associated python solutions, dataset which is released at https://huggingface.co/datasets/CohereForAI/lbpp .

Clinically deployed deep learning-based segmentation models are known to fail on data outside of their training distributions. While clinicians review the segmentations, these models tend to perform well in most instances, which could exacerbate automation bias. Therefore, detecting out-of-distribution images at inference is critical to warn the clinicians that the model likely failed. This work applied the Mahalanobis distance (MD) post hoc to the bottleneck features of four Swin UNETR and nnU-net models that segmented the liver on T1-weighted magnetic resonance imaging and computed tomography. By reducing the dimensions of the bottleneck features with either principal component analysis or uniform manifold approximation and projection, images the models failed on were detected with high performance and minimal computational load. In addition, this work explored a non-parametric alternative to the MD, a k-th nearest neighbors distance (KNN). KNN drastically improved scalability and performance over MD when both were applied to raw and average-pooled bottleneck features.

Machine learning is now used in many applications thanks to its ability to predict, generate, or discover patterns from large quantities of data. However, the process of collecting and transforming data for practical use is intricate. Even in today's digital era, where substantial data is generated daily, it is uncommon for it to be readily usable; most often, it necessitates meticulous manual data preparation. The haste in developing new models can frequently result in various shortcomings, potentially posing risks when deployed in real-world scenarios (eg social discrimination, critical failures), leading to the failure or substantial escalation of costs in AI-based projects. This chapter provides a comprehensive overview of established methodological tools, enriched by our practical experience, in the development of datasets for machine learning. Initially, we develop the tasks involved in dataset development and offer insights into their effective management (including requirements, design, implementation, evaluation, distribution, and maintenance). Then, we provide more details about the implementation process which includes data collection, transformation, and quality evaluation. Finally, we address practical considerations regarding dataset distribution and maintenance.

With increasingly more data and computation involved in their training, machine learning models constitute valuable intellectual property. This has spurred interest in model stealing, which is made more practical by advances in learning with partial, little, or no supervision. Existing defenses focus on inserting unique watermarks in a model's decision surface, but this is insufficient: the watermarks are not sampled from the training distribution and thus are not always preserved during model stealing. In this paper, we make the key observation that knowledge contained in the stolen model's training set is what is common to all stolen copies. The adversary's goal, irrespective of the attack employed, is always to extract this knowledge or its by-products. This gives the original model's owner a strong advantage over the adversary: model owners have access to the original training data. We thus introduce dataset inference, the process of identifying whether a suspected model copy has private knowledge from the original model's dataset, as a defense against model stealing. We develop an approach for dataset inference that combines statistical testing with the ability to estimate the distance of multiple data points to the decision boundary. Our experiments on CIFAR10, SVHN, CIFAR100 and ImageNet show that model owners can claim with confidence greater than 99% that their model (or dataset as a matter of fact) was stolen, despite only exposing 50 of the stolen model's training points. Dataset inference defends against state-of-the-art attacks even when the adversary is adaptive. Unlike prior work, it does not require retraining or overfitting the defended model.