Daily Papers

Generalizing to out-of-distribution (OOD) data or unseen domain, termed OOD generalization, still lacks appropriate theoretical guarantees. Canonical OOD bounds focus on different distance measurements between source and target domains but fail to consider the optimization property of the learned model. As empirically shown in recent work, the sharpness of learned minima influences OOD generalization. To bridge this gap between optimization and OOD generalization, we study the effect of sharpness on how a model tolerates data change in domain shift which is usually captured by "robustness" in generalization. In this paper, we give a rigorous connection between sharpness and robustness, which gives better OOD guarantees for robust algorithms. It also provides a theoretical backing for "flat minima leads to better OOD generalization". Overall, we propose a sharpness-based OOD generalization bound by taking robustness into consideration, resulting in a tighter bound than non-robust guarantees. Our findings are supported by the experiments on a ridge regression model, as well as the experiments on deep learning classification tasks.

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.

Kinodynamic motion planning is concerned with computing collision-free trajectories while abiding by the robot's dynamic constraints. This critical problem is often tackled using sampling-based planners (SBPs) that explore the robot's high-dimensional state space by constructing a search tree via action propagations. Although SBPs can offer global guarantees on completeness and solution quality, their performance is often hindered by slow exploration due to uninformed action sampling. Learning-based approaches can yield significantly faster runtimes, yet they fail to generalize to out-of-distribution (OOD) scenarios and lack critical guarantees, e.g., safety, thus limiting their deployment on physical robots. We present Diffusion Tree (DiTree): a provably-generalizable framework leveraging diffusion policies (DPs) as informed samplers to efficiently guide state-space search within SBPs. DiTree combines DP's ability to model complex distributions of expert trajectories, conditioned on local observations, with the completeness of SBPs to yield provably-safe solutions within a few action propagation iterations for complex dynamical systems. We demonstrate DiTree's power with an implementation combining the popular RRT planner with a DP action sampler trained on a single environment. In comprehensive evaluations on OOD scenarios, % DiTree has comparable runtimes to a standalone DP (3x faster than classical SBPs), while improving the average success rate over DP and SBPs. DiTree is on average 3x faster than classical SBPs, and outperforms all other approaches by achieving roughly 30\% higher success rate. Project webpage: https://sites.google.com/view/ditree.

Despite the remarkable versatility of Large Language Models (LLMs) and Multimodal LLMs (MLLMs) to generalize across both language and vision tasks, LLMs and MLLMs have shown vulnerability to jailbreaking, generating textual outputs that undermine safety, ethical, and bias standards when exposed to harmful or sensitive inputs. With the recent advancement of safety alignment via preference-tuning from human feedback, LLMs and MLLMs have been equipped with safety guardrails to yield safe, ethical, and fair responses with regard to harmful inputs. However, despite the significance of safety alignment, research on the vulnerabilities remains largely underexplored. In this paper, we investigate the unexplored vulnerability of the safety alignment, examining its ability to consistently provide safety guarantees for out-of-distribution(OOD)-ifying harmful inputs that may fall outside the aligned data distribution. Our key observation is that OOD-ifying the vanilla harmful inputs highly increases the uncertainty of the model to discern the malicious intent within the input, leading to a higher chance of being jailbroken. Exploiting this vulnerability, we propose JOOD, a new Jailbreak framework via OOD-ifying inputs beyond the safety alignment. We explore various off-the-shelf visual and textual transformation techniques for OOD-ifying the harmful inputs. Notably, we observe that even simple mixing-based techniques such as image mixup prove highly effective in increasing the uncertainty of the model, thereby facilitating the bypass of the safety alignment. Experiments across diverse jailbreak scenarios demonstrate that JOOD effectively jailbreaks recent proprietary LLMs and MLLMs such as GPT-4 and o1 with high attack success rate, which previous attack approaches have consistently struggled to jailbreak. Code is available at https://github.com/naver-ai/JOOD.

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.

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.

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 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 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.

Class incremental learning (CIL) is a challenging setting of continual learning, which learns a series of tasks sequentially. Each task consists of a set of unique classes. The key feature of CIL is that no task identifier (or task-id) is provided at test time. Predicting the task-id for each test sample is a challenging problem. An emerging theory-guided approach (called TIL+OOD) is to train a task-specific model for each task in a shared network for all tasks based on a task-incremental learning (TIL) method to deal with catastrophic forgetting. The model for each task is an out-of-distribution (OOD) detector rather than a conventional classifier. The OOD detector can perform both within-task (in-distribution (IND)) class prediction and OOD detection. The OOD detection capability is the key to task-id prediction during inference. However, this paper argues that using a traditional OOD detector for task-id prediction is sub-optimal because additional information (e.g., the replay data and the learned tasks) available in CIL can be exploited to design a better and principled method for task-id prediction. We call the new method TPL (Task-id Prediction based on Likelihood Ratio). TPL markedly outperforms strong CIL baselines and has negligible catastrophic forgetting. The code of TPL is publicly available at https://github.com/linhaowei1/TPL.

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

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.

When applying offline reinforcement learning (RL) in healthcare scenarios, the out-of-distribution (OOD) issues pose significant risks, as inappropriate generalization beyond clinical expertise can result in potentially harmful recommendations. While existing methods like conservative Q-learning (CQL) attempt to address the OOD issue, their effectiveness is limited by only constraining action selection by suppressing uncertain actions. This action-only regularization imitates clinician actions that prioritize short-term rewards, but it fails to regulate downstream state trajectories, thereby limiting the discovery of improved long-term treatment strategies. To safely improve policy beyond clinician recommendations while ensuring that state-action trajectories remain in-distribution, we propose Offline Guarded Safe Reinforcement Learning (OGSRL), a theoretically grounded model-based offline RL framework. OGSRL introduces a novel dual constraint mechanism for improving policy with reliability and safety. First, the OOD guardian is established to specify clinically validated regions for safe policy exploration. By constraining optimization within these regions, it enables the reliable exploration of treatment strategies that outperform clinician behavior by leveraging the full patient state history, without drifting into unsupported state-action trajectories. Second, we introduce a safety cost constraint that encodes medical knowledge about physiological safety boundaries, providing domain-specific safeguards even in areas where training data might contain potentially unsafe interventions. Notably, we provide theoretical guarantees on safety and near-optimality: policies that satisfy these constraints remain in safe and reliable regions and achieve performance close to the best possible policy supported by the data.

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 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.

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 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.

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 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/

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.

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.

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.

Open World Object Detection (OWOD) is a new and challenging computer vision task that bridges the gap between classic object detection (OD) benchmarks and object detection in the real world. In addition to detecting and classifying seen/labeled objects, OWOD algorithms are expected to detect novel/unknown objects - which can be classified and incrementally learned. In standard OD, object proposals not overlapping with a labeled object are automatically classified as background. Therefore, simply applying OD methods to OWOD fails as unknown objects would be predicted as background. The challenge of detecting unknown objects stems from the lack of supervision in distinguishing unknown objects and background object proposals. Previous OWOD methods have attempted to overcome this issue by generating supervision using pseudo-labeling - however, unknown object detection has remained low. Probabilistic/generative models may provide a solution for this challenge. Herein, we introduce a novel probabilistic framework for objectness estimation, where we alternate between probability distribution estimation and objectness likelihood maximization of known objects in the embedded feature space - ultimately allowing us to estimate the objectness probability of different proposals. The resulting Probabilistic Objectness transformer-based open-world detector, PROB, integrates our framework into traditional object detection models, adapting them for the open-world setting. Comprehensive experiments on OWOD benchmarks show that PROB outperforms all existing OWOD methods in both unknown object detection (sim 2times unknown recall) and known object detection (sim 10% mAP). Our code will be made available upon publication at https://github.com/orrzohar/PROB.

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.

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.

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.

The inability of deep learning models to handle data drawn from unseen distributions has sparked much interest in unsupervised out-of-distribution (U-OOD) detection, as it is crucial for reliable deep learning models. Despite considerable attention, theoretically-motivated approaches are few and far between, with most methods building on top of some form of heuristic. Recently, U-OOD was formalized in the context of data invariants, allowing a clearer understanding of how to characterize U-OOD, and methods leveraging affine invariants have attained state-of-the-art results on large-scale benchmarks. Nevertheless, the restriction to affine invariants hinders the expressiveness of the approach. In this work, we broaden the affine invariants formulation to a more general case and propose a framework consisting of a normalizing flow-like architecture capable of learning non-linear invariants. Our novel approach achieves state-of-the-art results on an extensive U-OOD benchmark, and we demonstrate its further applicability to tabular data. Finally, we show our method has the same desirable properties as those based on affine invariants.

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.

Open set label shift (OSLS) occurs when label distributions change from a source to a target distribution, and the target distribution has an additional out-of-distribution (OOD) class. In this work, we build estimators for both source and target open set label distributions using a source domain in-distribution (ID) classifier and an ID/OOD classifier. With reasonable assumptions on the ID/OOD classifier, the estimators are assembled into a sequence of three stages: 1) an estimate of the source label distribution of the OOD class, 2) an EM algorithm for Maximum Likelihood estimates (MLE) of the target label distribution, and 3) an estimate of the target label distribution of OOD class under relaxed assumptions on the OOD classifier. The sampling errors of estimates in 1) and 3) are quantified with a concentration inequality. The estimation result allows us to correct the ID classifier trained on the source distribution to the target distribution without retraining. Experiments on a variety of open set label shift settings demonstrate the effectiveness of our model. Our code is available at https://github.com/ChangkunYe/OpenSetLabelShift.

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

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.

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.

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

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

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.

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.

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.

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

Closed-loop decision-making systems (e.g., lending, screening, or recidivism risk assessment) often operate under fairness and service constraints while inducing feedback effects: decisions change who appears in the future, yielding non-stationary data and potentially amplifying disparities. We study online learning of a one-dimensional threshold policy from bandit feedback under demographic parity (DP) and, optionally, service-rate constraints. The learner observes only a scalar score each round and selects a threshold; reward and constraint residuals are revealed only for the chosen threshold. We propose Optimistic Feasible Search (OFS), a simple grid-based method that maintains confidence bounds for reward and constraint residuals for each candidate threshold. At each round, OFS selects a threshold that appears feasible under confidence bounds and, among those, maximizes optimistic reward; if no threshold appears feasible, OFS selects the threshold minimizing optimistic constraint violation. This design directly targets feasible high-utility thresholds and is particularly effective for low-dimensional, interpretable policy classes where discretization is natural. We evaluate OFS on (i) a synthetic closed-loop benchmark with stable contraction dynamics and (ii) two semi-synthetic closed-loop benchmarks grounded in German Credit and COMPAS, constructed by training a score model and feeding group-dependent acceptance decisions back into population composition. Across all environments, OFS achieves higher reward with smaller cumulative constraint violation than unconstrained and primal-dual bandit baselines, and is near-oracle relative to the best feasible fixed threshold under the same sweep procedure. Experiments are reproducible and organized with double-blind-friendly relative outputs.

Several studies have compared the in-distribution (ID) and out-of-distribution (OOD) performance of models in computer vision and NLP. They report a frequent positive correlation and some surprisingly never even observe an inverse correlation indicative of a necessary trade-off. The possibility of inverse patterns is important to determine whether ID performance can serve as a proxy for OOD generalization capabilities. This paper shows with multiple datasets that inverse correlations between ID and OOD performance do happen in real-world data - not only in theoretical worst-case settings. We also explain theoretically how these cases can arise even in a minimal linear setting, and why past studies could miss such cases due to a biased selection of models. Our observations lead to recommendations that contradict those found in much of the current literature. - High OOD performance sometimes requires trading off ID performance. - Focusing on ID performance alone may not lead to optimal OOD performance. It may produce diminishing (eventually negative) returns in OOD performance. - In these cases, studies on OOD generalization that use ID performance for model selection (a common recommended practice) will necessarily miss the best-performing models, making these studies blind to a whole range of phenomena.

Large language models (LLMs) often struggle with maintaining accuracy across a sequence of intermediate reasoning steps in mathematical reasoning, leading to error propagation that undermines the final result. The current methodology to mitigate this issue primarily involves using a verifier model to assess the correctness of generated solution candidates, focusing either on the overall reasoning path or on an incomplete reasoning path. By rethinking this approach, we argue that assessing potentials of incomplete reasoning paths could be more advantageous as it guides towards correct final answers, transforming the task into a planning problem. Our proposed verifier, the Outcome-supervision Value Model (OVM), employs outcome supervision for training, offering an efficient and intuitive method for planning by prioritizing steps that lead to accurate conclusions over mere per-step correctness. Furthermore, the OVM eschews the need for labor-intensive annotations on step-level correctness, enhancing its scalability. Our experiments on two multi-step mathematical reasoning datasets, GSM8K and Game of 24, demonstrate the superior performance of the OVM model. Notably, in GSM8K, our OVM-7B model achieves state-of-the-art results among LLMs up to 13B parameters; especially it does not utilize GPT-4 or code execution. These findings offer a novel perspective on the role of outcome supervision in training verifiers for multi-step reasoning tasks and provide theoretical justification for its advantage in value estimation for planning.

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.

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.

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.

Large Language Models have demonstrated remarkable capabilities in code generation, yet they often struggle with complex programming tasks that require deep algorithmic reasoning. While process supervision through learned reward models shows promise in guiding reasoning steps, it requires expensive training data and suffers from unreliable evaluation. We propose Outcome-Refining Process Supervision, a novel paradigm that treats outcome refinement itself as the process to be supervised. Our framework leverages concrete execution signals to ground the supervision of reasoning steps, while using tree-structured exploration to maintain multiple solution trajectories simultaneously. Experiments demonstrate that our approach enables even smaller models to achieve high success accuracy and performance metrics on competitive programming tasks, creates more reliable verification than traditional reward models without requiring training PRMs. Our approach achieves significant improvements across 5 models and 3 datasets: an average of 26.9% increase in correctness and 42.2% in efficiency. The results suggest that providing structured reasoning space with concrete verification signals is crucial for solving complex programming tasks. We open-source all our code and data at: https://github.com/zhuohaoyu/ORPS

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.

In real-world applications where confidence is key, like autonomous driving, the accurate detection and appropriate handling of classes differing from those used during training are crucial. Despite the proposal of various unknown object detection approaches, we have observed widespread inconsistencies among them regarding the datasets, metrics, and scenarios used, alongside a notable absence of a clear definition for unknown objects, which hampers meaningful evaluation. To counter these issues, we introduce two benchmarks: a unified VOC-COCO evaluation, and the new OpenImagesRoad benchmark which provides clear hierarchical object definition besides new evaluation metrics. Complementing the benchmark, we exploit recent self-supervised Vision Transformers performance, to improve pseudo-labeling-based OpenSet Object Detection (OSOD), through OW-DETR++. State-of-the-art methods are extensively evaluated on the proposed benchmarks. This study provides a clear problem definition, ensures consistent evaluations, and draws new conclusions about effectiveness of OSOD strategies.

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.

We present a novel vision-language prompt learning approach for few-shot out-of-distribution (OOD) detection. Few-shot OOD detection aims to detect OOD images from classes that are unseen during training using only a few labeled in-distribution (ID) images. While prompt learning methods such as CoOp have shown effectiveness and efficiency in few-shot ID classification, they still face limitations in OOD detection due to the potential presence of ID-irrelevant information in text embeddings. To address this issue, we introduce a new approach called Local regularized Context Optimization (LoCoOp), which performs OOD regularization that utilizes the portions of CLIP local features as OOD features during training. CLIP's local features have a lot of ID-irrelevant nuisances (e.g., backgrounds), and by learning to push them away from the ID class text embeddings, we can remove the nuisances in the ID class text embeddings and enhance the separation between ID and OOD. Experiments on the large-scale ImageNet OOD detection benchmarks demonstrate the superiority of our LoCoOp over zero-shot, fully supervised detection methods and prompt learning methods. Notably, even in a one-shot setting -- just one label per class, LoCoOp outperforms existing zero-shot and fully supervised detection methods. The code will be available via https://github.com/AtsuMiyai/LoCoOp.

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.

We present the OMG-CMDP! algorithm for regret minimization in adversarial Contextual MDPs. The algorithm operates under the minimal assumptions of realizable function class and access to online least squares and log loss regression oracles. Our algorithm is efficient (assuming efficient online regression oracles), simple and robust to approximation errors. It enjoys an O(H^{2.5} T|S||A| ( mathcal{R(O) + H log(delta^{-1}) )}) regret guarantee, with T being the number of episodes, S the state space, A the action space, H the horizon and R(O) = R(O_{sq}^F) + R(O_{log}^P) is the sum of the regression oracles' regret, used to approximate the context-dependent rewards and dynamics, respectively. To the best of our knowledge, our algorithm is the first efficient rate optimal regret minimization algorithm for adversarial CMDPs that operates under the minimal standard assumption of online function approximation.

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.

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.

We revisit the likelihood ratio between a pretrained large language model (LLM) and its finetuned variant as a criterion for out-of-distribution (OOD) detection. The intuition behind such a criterion is that, the pretrained LLM has the prior knowledge about OOD data due to its large amount of training data, and once finetuned with the in-distribution data, the LLM has sufficient knowledge to distinguish their difference. Leveraging the power of LLMs, we show that, the likelihood ratio can serve as an effective OOD detection criterion. Moreover, we apply the proposed LLM-based likelihood ratio to detect OOD questions in question-answering (QA) systems, which can be used to improve the performance of specialized LLMs for general questions. Given that likelihood can be easily obtained by the loss functions within contemporary neural network frameworks, it is straightforward to implement this approach in practice. Since both the pretrained LLMs and its various finetuned models are widely available from online platforms such as Hugging Face, our proposed criterion can be effortlessly incorporated for OOD detection without the need for further training. We conduct comprehensive evaluation across on multiple settings, including far OOD, near OOD, spam detection, and QA scenarios, to demonstrate the effectiveness of the method. Code can be found at https://github.com/andiac/LLMOODratio

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 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.

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.

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.

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.

The rapid evolution of generative models has led to a continuous emergence of multimodal safety risks, exposing the limitations of existing defense methods. To address these challenges, we propose ProGuard, a vision-language proactive guard that identifies and describes out-of-distribution (OOD) safety risks without the need for model adjustments required by traditional reactive approaches. We first construct a modality-balanced dataset of 87K samples, each annotated with both binary safety labels and risk categories under a hierarchical multimodal safety taxonomy, effectively mitigating modality bias and ensuring consistent moderation across text, image, and text-image inputs. Based on this dataset, we train our vision-language base model purely through reinforcement learning (RL) to achieve efficient and concise reasoning. To approximate proactive safety scenarios in a controlled setting, we further introduce an OOD safety category inference task and augment the RL objective with a synonym-bank-based similarity reward that encourages the model to generate concise descriptions for unseen unsafe categories. Experimental results show that ProGuard achieves performance comparable to closed-source large models on binary safety classification, substantially outperforms existing open-source guard models on unsafe content categorization. Most notably, ProGuard delivers a strong proactive moderation ability, improving OOD risk detection by 52.6% and OOD risk description by 64.8%.

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.

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.

Large Language Model (LLM) safety is one of the most pressing challenges for enabling wide-scale deployment. While most studies and global discussions focus on generic harms, such as models assisting users in harming themselves or others, enterprises face a more fundamental concern: whether LLM-based agents are safe for their intended use case. To address this, we introduce operational safety, defined as an LLM's ability to appropriately accept or refuse user queries when tasked with a specific purpose. We further propose OffTopicEval, an evaluation suite and benchmark for measuring operational safety both in general and within specific agentic use cases. Our evaluations on six model families comprising 20 open-weight LLMs reveal that while performance varies across models, all of them remain highly operationally unsafe. Even the strongest models -- Qwen-3 (235B) with 77.77\% and Mistral (24B) with 79.96\% -- fall far short of reliable operational safety, while GPT models plateau in the 62--73\% range, Phi achieves only mid-level scores (48--70\%), and Gemma and Llama-3 collapse to 39.53\% and 23.84\%, respectively. While operational safety is a core model alignment issue, to suppress these failures, we propose prompt-based steering methods: query grounding (Q-ground) and system-prompt grounding (P-ground), which substantially improve OOD refusal. Q-ground provides consistent gains of up to 23\%, while P-ground delivers even larger boosts, raising Llama-3.3 (70B) by 41\% and Qwen-3 (30B) by 27\%. These results highlight both the urgent need for operational safety interventions and the promise of prompt-based steering as a first step toward more reliable LLM-based agents.

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.

Improving out-of-distribution (OOD) generalization during in-distribution (ID) adaptation is a primary goal of robust fine-tuning of zero-shot models beyond naive fine-tuning. However, despite decent OOD generalization performance from recent robust fine-tuning methods, confidence calibration for reliable model output has not been fully addressed. This work proposes a robust fine-tuning method that improves both OOD accuracy and confidence calibration simultaneously in vision language models. Firstly, we show that both OOD classification and OOD calibration errors have a shared upper bound consisting of two terms of ID data: 1) ID calibration error and 2) the smallest singular value of the ID input covariance matrix. Based on this insight, we design a novel framework that conducts fine-tuning with a constrained multimodal contrastive loss enforcing a larger smallest singular value, which is further guided by the self-distillation of a moving-averaged model to achieve calibrated prediction as well. Starting from empirical evidence supporting our theoretical statements, we provide extensive experimental results on ImageNet distribution shift benchmarks that demonstrate the effectiveness of our theorem and its practical implementation.

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.

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.

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.

This paper presents a quantitative program verification infrastructure for discrete probabilistic programs. Our infrastructure can be viewed as the probabilistic analogue of Boogie: its central components are an intermediate verification language (IVL) together with a real-valued logic. Our IVL provides a programming-language-style for expressing verification conditions whose validity implies the correctness of a program under investigation. As our focus is on verifying quantitative properties such as bounds on expected outcomes, expected run-times, or termination probabilities, off-the-shelf IVLs based on Boolean first-order logic do not suffice. Instead, a paradigm shift from the standard Boolean to a real-valued domain is required. Our IVL features quantitative generalizations of standard verification constructs such as assume- and assert-statements. Verification conditions are generated by a weakest-precondition-style semantics, based on our real-valued logic. We show that our verification infrastructure supports natural encodings of numerous verification techniques from the literature. With our SMT-based implementation, we automatically verify a variety of benchmarks. To the best of our knowledge, this establishes the first deductive verification infrastructure for expectation-based reasoning about probabilistic programs.

Large language models (LLMs) typically deploy safety mechanisms to prevent harmful content generation. Most current approaches focus narrowly on risks posed by malicious actors, often framing risks as adversarial events and relying on defensive refusals. However, in real-world settings, risks also come from non-malicious users seeking help while under psychological distress (e.g., self-harm intentions). In such cases, the model's response can strongly influence the user's next actions. Simple refusals may lead them to repeat, escalate, or move to unsafe platforms, creating worse outcomes. We introduce Constructive Safety Alignment (CSA), a human-centric paradigm that protects against malicious misuse while actively guiding vulnerable users toward safe and helpful results. Implemented in Oyster-I (Oy1), CSA combines game-theoretic anticipation of user reactions, fine-grained risk boundary discovery, and interpretable reasoning control, turning safety into a trust-building process. Oy1 achieves state-of-the-art safety among open models while retaining high general capabilities. On our Constructive Benchmark, it shows strong constructive engagement, close to GPT-5, and unmatched robustness on the Strata-Sword jailbreak dataset, nearing GPT-o1 levels. By shifting from refusal-first to guidance-first safety, CSA redefines the model-user relationship, aiming for systems that are not just safe, but meaningfully helpful. We release Oy1, code, and the benchmark to support responsible, user-centered AI.

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.

Out-of-distribution (OOD) generalization, where the model needs to handle distribution shifts from training, is a major challenge of machine learning. Recently, contrastive language-image pre-training (CLIP) models have shown impressive zero-shot ability, revealing a promising path toward OOD generalization. However, to boost upon zero-shot performance, further adaptation of CLIP on downstream tasks is indispensable but undesirably degrades OOD generalization ability. In this paper, we aim at generalizing CLIP to out-of-distribution test data on downstream tasks. Beyond the two canonical OOD situations, domain shift and open class, we tackle a more general but difficult in-the-wild setting where both OOD situations may occur on the unseen test data. We propose CLIPood, a simple fine-tuning method that can adapt CLIP models to all OOD situations. To exploit semantic relations between classes from the text modality, CLIPood introduces a new training objective, margin metric softmax (MMS), with class adaptive margins for fine-tuning. Moreover, to incorporate both the pre-trained zero-shot model and the fine-tuned task-adaptive model, CLIPood proposes a new Beta moving average (BMA) to maintain a temporal ensemble according to Beta distribution. Experiments on diverse datasets with different OOD scenarios show that CLIPood consistently outperforms existing generalization techniques.

We present olmOCR 2, the latest in our family of powerful OCR systems for converting digitized print documents, like PDFs, into clean, naturally ordered plain text. olmOCR 2 is powered by olmOCR-2-7B-1025, a specialized, 7B vision language model (VLM) trained using reinforcement learning with verifiable rewards (RLVR), where our rewards are a diverse set of binary unit tests. To scale unit test creation, we develop a pipeline for generating synthetic documents with diverse and challenging layouts, known ground-truth HTML source code, and extracted test cases. We show that RL training on these test cases results in state-of-the-art performance on olmOCR-Bench, our English-language OCR benchmark, with the largest improvements in math formula conversion, table parsing, and multi-column layouts compared to previous versions. We release our model, data and code under permissive open licenses.

Open-vocabulary object detection (OVD), detecting specific classes of objects using only their linguistic descriptions (e.g., class names) without any image samples, has garnered significant attention. However, in real-world applications, the target class concepts is often hard to describe in text and the only way to specify target objects is to provide their image examples, yet it is often challenging to obtain a good number of samples. Thus, there is a high demand from practitioners for few-shot object detection (FSOD). A natural question arises: Can the benefits of OVD extend to FSOD for object classes that are difficult to describe in text? Compared to traditional methods that learn only predefined classes (referred to in this paper as closed-set object detection, COD), can the extra cost of OVD be justified? To answer these questions, we propose a method to quantify the ``text-describability'' of object detection datasets using the zero-shot image classification accuracy with CLIP. This allows us to categorize various OD datasets with different text-describability and emprically evaluate the FSOD performance of OVD and COD methods within each category. Our findings reveal that: i) there is little difference between OVD and COD for object classes with low text-describability under equal conditions in OD pretraining; and ii) although OVD can learn from more diverse data than OD-specific data, thereby increasing the volume of training data, it can be counterproductive for classes with low-text-describability. These findings provide practitioners with valuable guidance amidst the recent advancements of OVD methods.

Counterexample-guided repair aims at creating neural networks with mathematical safety guarantees, facilitating the application of neural networks in safety-critical domains. However, whether counterexample-guided repair is guaranteed to terminate remains an open question. We approach this question by showing that counterexample-guided repair can be viewed as a robust optimisation algorithm. While termination guarantees for neural network repair itself remain beyond our reach, we prove termination for more restrained machine learning models and disprove termination in a general setting. We empirically study the practical implications of our theoretical results, demonstrating the suitability of common verifiers and falsifiers for repair despite a disadvantageous theoretical result. Additionally, we use our theoretical insights to devise a novel algorithm for repairing linear regression models based on quadratic programming, surpassing existing approaches.

Reinforcement learning from human feedback (RLHF) has demonstrated great promise in aligning large language models (LLMs) with human preference. Depending on the availability of preference data, both online and offline RLHF are active areas of investigation. A key bottleneck is understanding how to incorporate uncertainty estimation in the reward function learned from the preference data for RLHF, regardless of how the preference data is collected. While the principles of optimism or pessimism under uncertainty are well-established in standard reinforcement learning (RL), a practically-implementable and theoretically-grounded form amenable to large language models is not yet available, as standard techniques for constructing confidence intervals become intractable under arbitrary policy parameterizations. In this paper, we introduce a unified approach to online and offline RLHF -- value-incentivized preference optimization (VPO) -- which regularizes the maximum-likelihood estimate of the reward function with the corresponding value function, modulated by a sign to indicate whether the optimism or pessimism is chosen. VPO also directly optimizes the policy with implicit reward modeling, and therefore shares a simpler RLHF pipeline similar to direct preference optimization. Theoretical guarantees of VPO are provided for both online and offline settings, matching the rates of their standard RL counterparts. Moreover, experiments on text summarization and dialog verify the practicality and effectiveness of VPO.

Given a matrix Ain R^{ntimes d} and a vector bin R^n, we consider the regression problem with ell_infty guarantees: finding a vector x'in R^d such that |x'-x^*|_infty leq epsilon{d}cdot |Ax^*-b|_2cdot |A^dagger| where x^*=argmin_{xin R^d}|Ax-b|_2. One popular approach for solving such ell_2 regression problem is via sketching: picking a structured random matrix Sin R^{mtimes n} with mll n and SA can be quickly computed, solve the ``sketched'' regression problem argmin_{xin R^d} |SAx-Sb|_2. In this paper, we show that in order to obtain such ell_infty guarantee for ell_2 regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with m=epsilon^{-2}dlog^3(n/delta) such that solving the sketched regression problem gives the ell_infty guarantee, with probability at least 1-delta. Moreover, the matrix SA can be computed in time O(ndlog n). Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in d rows, m=Omega(epsilon^{-2}d^{1+gamma}) for gamma=Theta(frac{loglog n{log d}}) is required. We also develop a novel analytical framework for ell_infty guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

Conventional wisdom suggests that neural network predictions tend to be unpredictable and overconfident when faced with out-of-distribution (OOD) inputs. Our work reassesses this assumption for neural networks with high-dimensional inputs. Rather than extrapolating in arbitrary ways, we observe that neural network predictions often tend towards a constant value as input data becomes increasingly OOD. Moreover, we find that this value often closely approximates the optimal constant solution (OCS), i.e., the prediction that minimizes the average loss over the training data without observing the input. We present results showing this phenomenon across 8 datasets with different distributional shifts (including CIFAR10-C and ImageNet-R, S), different loss functions (cross entropy, MSE, and Gaussian NLL), and different architectures (CNNs and transformers). Furthermore, we present an explanation for this behavior, which we first validate empirically and then study theoretically in a simplified setting involving deep homogeneous networks with ReLU activations. Finally, we show how one can leverage our insights in practice to enable risk-sensitive decision-making in the presence of OOD inputs.

Recursive self-improvement is moving from theory to practice: modern systems can critique, revise, and evaluate their own outputs, yet iterative self-modification risks subtle alignment drift. We introduce SAHOO, a practical framework to monitor and control drift through three safeguards: (i) the Goal Drift Index (GDI), a learned multi-signal detector combining semantic, lexical, structural, and distributional measures; (ii) constraint preservation checks that enforce safety-critical invariants such as syntactic correctness and non-hallucination; and (iii) regression-risk quantification to flag improvement cycles that undo prior gains. Across 189 tasks in code generation, mathematical reasoning, and truthfulness, SAHOO produces substantial quality gains, including 18.3 percent improvement in code tasks and 16.8 percent in reasoning, while preserving constraints in two domains and maintaining low violations in truthfulness. Thresholds are calibrated on a small validation set of 18 tasks across three cycles. We further map the capability-alignment frontier, showing efficient early improvement cycles but rising alignment costs later and exposing domain-specific tensions such as fluency versus factuality. SAHOO therefore makes alignment preservation during recursive self-improvement measurable, deployable, and systematically validated at scale.

Accuracy is an important concern for suppliers of artificial intelligence (AI) services, but considerations beyond accuracy, such as safety (which includes fairness and explainability), security, and provenance, are also critical elements to engender consumers' trust in a service. Many industries use transparent, standardized, but often not legally required documents called supplier's declarations of conformity (SDoCs) to describe the lineage of a product along with the safety and performance testing it has undergone. SDoCs may be considered multi-dimensional fact sheets that capture and quantify various aspects of the product and its development to make it worthy of consumers' trust. Inspired by this practice, we propose FactSheets to help increase trust in AI services. We envision such documents to contain purpose, performance, safety, security, and provenance information to be completed by AI service providers for examination by consumers. We suggest a comprehensive set of declaration items tailored to AI and provide examples for two fictitious AI services in the appendix of the paper.

We resolve an open problem of Hanneke on the subject of universally consistent online learning with non-i.i.d. processes and unbounded losses. The notion of an optimistically universal learning rule was defined by Hanneke in an effort to study learning theory under minimal assumptions. A given learning rule is said to be optimistically universal if it achieves a low long-run average loss whenever the data generating process makes this goal achievable by some learning rule. Hanneke posed as an open problem whether, for every unbounded loss, the family of processes admitting universal learning are precisely those having a finite number of distinct values almost surely. In this paper, we completely resolve this problem, showing that this is indeed the case. As a consequence, this also offers a dramatically simpler formulation of an optimistically universal learning rule for any unbounded loss: namely, the simple memorization rule already suffices. Our proof relies on constructing random measurable partitions of the instance space and could be of independent interest for solving other open questions. We extend the results to the non-realizable setting thereby providing an optimistically universal Bayes consistent learning rule.

A practical approach to learning robot skills, often termed sim2real, is to train control policies in simulation and then deploy them on a real robot. Popular techniques to improve the sim2real transfer build on domain randomization (DR) -- training the policy on a diverse set of randomly generated domains with the hope of better generalization to the real world. Due to the large number of hyper-parameters in both the policy learning and DR algorithms, one often ends up with a large number of trained policies, where choosing the best policy among them demands costly evaluation on the real robot. In this work we ask - can we rank the policies without running them in the real world? Our main idea is that a predefined set of real world data can be used to evaluate all policies, using out-of-distribution detection (OOD) techniques. In a sense, this approach can be seen as a `unit test' to evaluate policies before any real world execution. However, we find that by itself, the OOD score can be inaccurate and very sensitive to the particular OOD method. Our main contribution is a simple-yet-effective policy score that combines OOD with an evaluation in simulation. We show that our score - VSDR - can significantly improve the accuracy of policy ranking without requiring additional real world data. We evaluate the effectiveness of VSDR on sim2real transfer in a robotic grasping task with image inputs. We extensively evaluate different DR parameters and OOD methods, and show that VSDR improves policy selection across the board. More importantly, our method achieves significantly better ranking, and uses significantly less data compared to baselines. Project website is available at https://sites.google.com/view/vsdr/home.

Generative models can now produce photorealistic synthetic data which is virtually indistinguishable from the real data used to train it. This is a significant evolution over previous models which could produce reasonable facsimiles of the training data, but ones which could be visually distinguished from the training data by human evaluation. Recent work on OOD detection has raised doubts that generative model likelihoods are optimal OOD detectors due to issues involving likelihood misestimation, entropy in the generative process, and typicality. We speculate that generative OOD detectors also failed because their models focused on the pixels rather than the semantic content of the data, leading to failures in near-OOD cases where the pixels may be similar but the information content is significantly different. We hypothesize that estimating typical sets using self-supervised learners leads to better OOD detectors. We introduce a novel approach that leverages representation learning, and informative summary statistics based on manifold estimation, to address all of the aforementioned issues. Our method outperforms other unsupervised approaches and achieves state-of-the art performance on well-established challenging benchmarks, and new synthetic data detection tasks.

Out-of-distribution (OOD) detection is critical to building reliable machine learning systems in the open world. Researchers have proposed various strategies to reduce model overconfidence on OOD data. Among them, ReAct is a typical and effective technique to deal with model overconfidence, which truncates high activations to increase the gap between in-distribution and OOD. Despite its promising results, is this technique the best choice for widening the gap? To answer this question, we leverage the variational method to find the optimal operation and verify the necessity of suppressing abnormally low and high activations and amplifying intermediate activations in OOD detection, rather than focusing only on high activations like ReAct. This motivates us to propose a novel technique called ``Variational Rectified Activation (VRA)'', which simulates these suppression and amplification operations using piecewise functions. Experimental results on multiple benchmark datasets demonstrate that our method outperforms existing post-hoc strategies. Meanwhile, VRA is compatible with different scoring functions and network architectures. \textcolor[rgb]{0.93,0.0,0.47}{Our code can be found in Supplementary Material}.

Information Technology (IT) Operations (Ops), particularly Artificial Intelligence for IT Operations (AIOps), is the guarantee for maintaining the orderly and stable operation of existing information systems. According to Gartner's prediction, the use of AI technology for automated IT operations has become a new trend. Large language models (LLMs) that have exhibited remarkable capabilities in NLP-related tasks, are showing great potential in the field of AIOps, such as in aspects of root cause analysis of failures, generation of operations and maintenance scripts, and summarizing of alert information. Nevertheless, the performance of current LLMs in Ops tasks is yet to be determined. In this paper, we present OpsEval, a comprehensive task-oriented Ops benchmark designed for LLMs. For the first time, OpsEval assesses LLMs' proficiency in various crucial scenarios at different ability levels. The benchmark includes 7184 multi-choice questions and 1736 question-answering (QA) formats in English and Chinese. By conducting a comprehensive performance evaluation of the current leading large language models, we show how various LLM techniques can affect the performance of Ops, and discussed findings related to various topics, including model quantification, QA evaluation, and hallucination issues. To ensure the credibility of our evaluation, we invite dozens of domain experts to manually review our questions. At the same time, we have open-sourced 20% of the test QA to assist current researchers in preliminary evaluations of their OpsLLM models. The remaining 80% of the data, which is not disclosed, is used to eliminate the issue of the test set leakage. Additionally, we have constructed an online leaderboard that is updated in real-time and will continue to be updated, ensuring that any newly emerging LLMs will be evaluated promptly. Both our dataset and leaderboard have been made public.

Reinforcement learning algorithms are fundamental to align large language models with human preferences and to enhance their reasoning capabilities. However, current reinforcement learning algorithms often suffer from training instability due to loose on-policy constraints and computational inefficiency due to auxiliary models. In this work, we propose On-Policy RL with Optimal reward baseline (OPO), a novel and simplified reinforcement learning algorithm designed to address these challenges. OPO emphasizes the importance of exact on-policy training, which empirically stabilizes the training process and enhances exploration. Moreover, OPO introduces the optimal reward baseline that theoretically minimizes gradient variance. We evaluate OPO on mathematical reasoning benchmarks. The results demonstrate its superior performance and training stability without additional models or regularization terms. Furthermore, OPO achieves lower policy shifts and higher output entropy, encouraging more diverse and less repetitive responses. These results highlight OPO as a promising direction for stable and effective reinforcement learning in large language model alignment and reasoning tasks. The implementation is provided at https://github.com/microsoft/LMOps/tree/main/opo.

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.

Automated Program Repair (APR) improves software reliability by generating patches for a buggy program automatically. Recent APR techniques leverage deep learning (DL) to build models to learn to generate patches from existing patches and code corpora. While promising, DL-based APR techniques suffer from the abundant syntactically or semantically incorrect patches in the patch space. These patches often disobey the syntactic and semantic domain knowledge of source code and thus cannot be the correct patches to fix a bug. We propose a DL-based APR approach KNOD, which incorporates domain knowledge to guide patch generation in a direct and comprehensive way. KNOD has two major novelties, including (1) a novel three-stage tree decoder, which directly generates Abstract Syntax Trees of patched code according to the inherent tree structure, and (2) a novel domain-rule distillation, which leverages syntactic and semantic rules and teacher-student distributions to explicitly inject the domain knowledge into the decoding procedure during both the training and inference phases. We evaluate KNOD on three widely-used benchmarks. KNOD fixes 72 bugs on the Defects4J v1.2, 25 bugs on the QuixBugs, and 50 bugs on the additional Defects4J v2.0 benchmarks, outperforming all existing APR tools.

Most learning algorithms with formal regret guarantees assume that no mistake is irreparable and essentially rely on trying all possible behaviors. This approach is problematic when some mistakes are catastrophic, i.e., irreparable. We propose an online learning problem where the goal is to minimize the chance of catastrophe. Specifically, we assume that the payoff in each round represents the chance of avoiding catastrophe that round and aim to maximize the product of payoffs (the overall chance of avoiding catastrophe) while allowing a limited number of queries to a mentor. We first show that in general, any algorithm either constantly queries the mentor or is nearly guaranteed to cause catastrophe. However, in settings where the mentor policy class is learnable in the standard online learning model, we provide an algorithm whose regret and rate of querying the mentor both approach 0 as the time horizon grows. Conceptually, if a policy class is learnable in the absence of catastrophic risk, it is learnable in the presence of catastrophic risk if the agent can ask for help.

Although AI systems have been applied in various fields and achieved impressive performance, their safety and reliability are still a big concern. This is especially important for safety-critical tasks. One shared characteristic of these critical tasks is their risk sensitivity, where small mistakes can cause big consequences and even endanger life. There are several factors that could be guidelines for the successful deployment of AI systems in sensitive tasks: (i) failure detection and out-of-distribution (OOD) detection; (ii) overfitting identification; (iii) uncertainty quantification for predictions; (iv) robustness to data perturbations. These factors are also challenges of current AI systems, which are major blocks for building safe and reliable AI. Specifically, the current AI algorithms are unable to identify common causes for failure detection. Furthermore, additional techniques are required to quantify the quality of predictions. All these contribute to inaccurate uncertainty quantification, which lowers trust in predictions. Hence obtaining accurate model uncertainty quantification and its further improvement are challenging. To address these issues, many techniques have been proposed, such as regularization methods and learning strategies. As vision and language are the most typical data type and have many open source benchmark datasets, this thesis will focus on vision-language data processing for tasks like classification, image captioning, and vision question answering. In this thesis, we aim to build a safeguard by further developing current techniques to ensure the accurate model uncertainty for safety-critical tasks.

The capacity of a modern deep learning system to determine if a sample falls within its realm of knowledge is fundamental and important. In this paper, we offer insights and analyses of recent state-of-the-art out-of-distribution (OOD) detection methods - extremely simple activation shaping (ASH). We demonstrate that activation pruning has a detrimental effect on OOD detection, while activation scaling enhances it. Moreover, we propose SCALE, a simple yet effective post-hoc network enhancement method for OOD detection, which attains state-of-the-art OOD detection performance without compromising in-distribution (ID) accuracy. By integrating scaling concepts into the training process to capture a sample's ID characteristics, we propose Intermediate Tensor SHaping (ISH), a lightweight method for training time OOD detection enhancement. We achieve AUROC scores of +1.85\% for near-OOD and +0.74\% for far-OOD datasets on the OpenOOD v1.5 ImageNet-1K benchmark. Our code and models are available at https://github.com/kai422/SCALE.

An important challenge when using computer vision models in the real world is to evaluate their performance in potential out-of-distribution (OOD) scenarios. While simple synthetic corruptions are commonly applied to test OOD robustness, they often fail to capture nuisance shifts that occur in the real world. Recently, diffusion models have been applied to generate realistic images for benchmarking, but they are restricted to binary nuisance shifts. In this work, we introduce CNS-Bench, a Continuous Nuisance Shift Benchmark to quantify OOD robustness of image classifiers for continuous and realistic generative nuisance shifts. CNS-Bench allows generating a wide range of individual nuisance shifts in continuous severities by applying LoRA adapters to diffusion models. To address failure cases, we propose a filtering mechanism that outperforms previous methods, thereby enabling reliable benchmarking with generative models. With the proposed benchmark, we perform a large-scale study to evaluate the robustness of more than 40 classifiers under various nuisance shifts. Through carefully designed comparisons and analyses, we find that model rankings can change for varying shifts and shift scales, which cannot be captured when applying common binary shifts. Additionally, we show that evaluating the model performance on a continuous scale allows the identification of model failure points, providing a more nuanced understanding of model robustness. Project page including code and data: https://genintel.github.io/CNS.

Object detection systems must reliably perceive objects of interest without being overly confident to ensure safe decision-making in dynamic environments. Filtering techniques based on out-of-distribution (OoD) detection are commonly added as an extra safeguard to filter hallucinations caused by overconfidence in novel objects. Nevertheless, evaluating YOLO-family detectors and their filters under existing OoD benchmarks often leads to unsatisfactory performance. This paper studies the underlying reasons for performance bottlenecks and proposes a methodology to improve performance fundamentally. Our first contribution is a calibration of all existing evaluation results: Although images in existing OoD benchmark datasets are claimed not to have objects within in-distribution (ID) classes (i.e., categories defined in the training dataset), around 13% of objects detected by the object detector are actually ID objects. Dually, the ID dataset containing OoD objects can also negatively impact the decision boundary of filters. These ultimately lead to a significantly imprecise performance estimation. Our second contribution is to consider the task of hallucination reduction as a joint pipeline of detectors and filters. By developing a methodology to carefully synthesize an OoD dataset that semantically resembles the objects to be detected, and using the crafted OoD dataset in the fine-tuning of YOLO detectors to suppress the objectness score, we achieve a 88% reduction in overall hallucination error with a combined fine-tuned detection and filtering system on the self-driving benchmark BDD-100K. Our code and dataset are available at: https://gricad-gitlab.univ-grenoble-alpes.fr/dnn-safety/m-hood.

With the recent emergence of foundation models trained on internet-scale data and demonstrating remarkable generalization capabilities, such foundation models have become more widely adopted, leading to an expanding range of application domains. Despite this rapid proliferation, the trustworthiness of foundation models remains underexplored. Specifically, the out-of-distribution detection (OoDD) capabilities of large vision-language models (LVLMs), such as GPT-4o, which are trained on massive multi-modal data, have not been sufficiently addressed. The disparity between their demonstrated potential and practical reliability raises concerns regarding the safe and trustworthy deployment of foundation models. To address this gap, we evaluate and analyze the OoDD capabilities of various proprietary and open-source LVLMs. Our investigation contributes to a better understanding of how these foundation models represent confidence scores through their generated natural language responses. Based on our observations, we propose a self-guided prompting approach, termed Reflexive Guidance (ReGuide), aimed at enhancing the OoDD capability of LVLMs by leveraging self-generated image-adaptive concept suggestions. Experimental results demonstrate that our ReGuide enhances the performance of current LVLMs in both image classification and OoDD tasks.

Large Language Models (LLMs) augmented with external tools have demonstrated remarkable capabilities in complex reasoning tasks. However, existing frameworks rely heavily on natural language reasoning to determine when tools can be invoked and whether their results should be committed, lacking formal guarantees for logical safety and verifiability. We present ToolGate, a forward execution framework that provides logical safety guarantees and verifiable state evolution for LLM tool calling. ToolGate maintains an explicit symbolic state space as a typed key-value mapping representing trusted world information throughout the reasoning process. Each tool is formalized as a Hoare-style contract consisting of a precondition and a postcondition, where the precondition gates tool invocation by checking whether the current state satisfies the required conditions, and the postcondition determines whether the tool's result can be committed to update the state through runtime verification. Our approach guarantees that the symbolic state evolves only through verified tool executions, preventing invalid or hallucinated results from corrupting the world representation. Experimental validation demonstrates that ToolGate significantly improves the reliability and verifiability of tool-augmented LLM systems while maintaining competitive performance on complex multi-step reasoning tasks. This work establishes a foundation for building more trustworthy and debuggable AI systems that integrate language models with external tools.

While ViTs have achieved across machine learning tasks, deploying them in real-world scenarios faces a critical challenge: generalizing under OoD shifts. A crucial research gap exists in understanding how to design ViT architectures, both manually and automatically, for better OoD generalization. To this end, we introduce OoD-ViT-NAS, the first systematic benchmark for ViTs NAS focused on OoD generalization. This benchmark includes 3000 ViT architectures of varying computational budgets evaluated on 8 common OoD datasets. Using this benchmark, we analyze factors contributing to OoD generalization. Our findings reveal key insights. First, ViT architecture designs significantly affect OoD generalization. Second, ID accuracy is often a poor indicator of OoD accuracy, highlighting the risk of optimizing ViT architectures solely for ID performance. Third, we perform the first study of NAS for ViTs OoD robustness, analyzing 9 Training-free NAS methods. We find that existing Training-free NAS methods are largely ineffective in predicting OoD accuracy despite excelling at ID accuracy. Simple proxies like Param or Flop surprisingly outperform complex Training-free NAS methods in predicting OoD accuracy. Finally, we study how ViT architectural attributes impact OoD generalization and discover that increasing embedding dimensions generally enhances performance. Our benchmark shows that ViT architectures exhibit a wide range of OoD accuracy, with up to 11.85% improvement for some OoD shifts. This underscores the importance of studying ViT architecture design for OoD. We believe OoD-ViT-NAS can catalyze further research into how ViT designs influence OoD generalization.

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.

Generalizing deep learning models to unknown target domain distribution with low latency has motivated research into test-time training/adaptation (TTT/TTA). Existing approaches often focus on improving test-time training performance under well-curated target domain data. As figured out in this work, many state-of-the-art methods fail to maintain the performance when the target domain is contaminated with strong out-of-distribution (OOD) data, a.k.a. open-world test-time training (OWTTT). The failure is mainly due to the inability to distinguish strong OOD samples from regular weak OOD samples. To improve the robustness of OWTTT we first develop an adaptive strong OOD pruning which improves the efficacy of the self-training TTT method. We further propose a way to dynamically expand the prototypes to represent strong OOD samples for an improved weak/strong OOD data separation. Finally, we regularize self-training with distribution alignment and the combination yields the state-of-the-art performance on 5 OWTTT benchmarks. The code is available at https://github.com/Yushu-Li/OWTTT.

Recent progress has pushed AI frontiers from pattern recognition tasks toward problems that require step by step, System2 style reasoning, especially with large language models. Yet, unlike learning, where generalization and out of distribution (OoD) evaluation concepts are well formalized, there is no clear, consistent definition or metric for reasoning ability. We propose Complexity Out of Distribution (Complexity OoD) generalization as a framework and problem setting to define and measure reasoning. A model exhibits Complexity OoD generalization when it maintains performance on test instances whose minimal required solution complexity, either representational (richer solution structure) or computational (more reasoning steps/program length), exceeds that of all training examples. We formalize complexity via solution description Kolmogorov complexity and operational proxies (e.g., object/relation counts; reasoning step counts), clarifying how Complexity OoD differs from length and compositional OoD. This lens unifies learning and reasoning: many cases solvable with System1 like processing at low complexity become System2 like under complexity pressure, while System2 can be viewed as generalization over solution structures. We translate this perspective into practice with recommendations for operationalizing Complexity OoD across the stack: incorporating complexity into benchmark and evaluation metric design, rethinking supervision to target solution traces, seeking and designing inductive biases for Complexity OoD generalization, addressing learning to reason spillovers such as spurious shortcuts, semantic robustness, catastrophic forgetting, and step wise calibration. Because Complexity OoD cannot be solved by scaling data alone, progress toward robust reasoning will require architectures and training regimes that explicitly model and allocate computation with respect to complexity.

Given a set of trajectories demonstrating the execution of a task safely in a constrained MDP with observable rewards but with unknown constraints and non-observable costs, we aim to find a policy that maximizes the likelihood of demonstrated trajectories trading the balance between being conservative and increasing significantly the likelihood of high-rewarding trajectories but with potentially unsafe steps. Having these objectives, we aim towards learning a policy that maximizes the probability of the most promising trajectories with respect to the demonstrations. In so doing, we formulate the ``promise" of individual state-action pairs in terms of Q values, which depend on task-specific rewards as well as on the assessment of states' safety, mixing expectations in terms of rewards and safety. This entails a safe Q-learning perspective of the inverse learning problem under constraints: The devised Safe Q Inverse Constrained Reinforcement Learning (SafeQIL) algorithm is compared to state-of-the art inverse constraint reinforcement learning algorithms to a set of challenging benchmark tasks, showing its merits.

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

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/

Large language model (LLM) agents have demonstrated remarkable capabilities across various domains, gaining extensive attention from academia and industry. However, these agents raise significant concerns on AI safety due to their autonomous and non-deterministic behavior, as well as continuous evolving nature . From a DevOps perspective, enabling observability in agents is necessary to ensuring AI safety, as stakeholders can gain insights into the agents' inner workings, allowing them to proactively understand the agents, detect anomalies, and prevent potential failures. Therefore, in this paper, we present a comprehensive taxonomy of AgentOps, identifying the artifacts and associated data that should be traced throughout the entire lifecycle of agents to achieve effective observability. The taxonomy is developed based on a systematic mapping study of existing AgentOps tools. Our taxonomy serves as a reference template for developers to design and implement AgentOps infrastructure that supports monitoring, logging, and analytics. thereby ensuring AI safety.

In offline reinforcement learning, the challenge of out-of-distribution (OOD) is pronounced. To address this, existing methods often constrain the learned policy through policy regularization. However, these methods often suffer from the issue of unnecessary conservativeness, hampering policy improvement. This occurs due to the indiscriminate use of all actions from the behavior policy that generates the offline dataset as constraints. The problem becomes particularly noticeable when the quality of the dataset is suboptimal. Thus, we propose Adaptive Advantage-guided Policy Regularization (A2PR), obtaining high-advantage actions from an augmented behavior policy combined with VAE to guide the learned policy. A2PR can select high-advantage actions that differ from those present in the dataset, while still effectively maintaining conservatism from OOD actions. This is achieved by harnessing the VAE capacity to generate samples matching the distribution of the data points. We theoretically prove that the improvement of the behavior policy is guaranteed. Besides, it effectively mitigates value overestimation with a bounded performance gap. Empirically, we conduct a series of experiments on the D4RL benchmark, where A2PR demonstrates state-of-the-art performance. Furthermore, experimental results on additional suboptimal mixed datasets reveal that A2PR exhibits superior performance. Code is available at https://github.com/ltlhuuu/A2PR.

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) generalization is critical for machine learning models deployed in the real world. However, achieving this can be fundamentally challenging, as it requires the ability to learn invariant features across different domains or environments. In this paper, we propose a novel framework HYPO (HYPerspherical OOD generalization) that provably learns domain-invariant representations in a hyperspherical space. In particular, our hyperspherical learning algorithm is guided by intra-class variation and inter-class separation principles -- ensuring that features from the same class (across different training domains) are closely aligned with their class prototypes, while different class prototypes are maximally separated. We further provide theoretical justifications on how our prototypical learning objective improves the OOD generalization bound. Through extensive experiments on challenging OOD benchmarks, we demonstrate that our approach outperforms competitive baselines and achieves superior performance. Code is available at https://github.com/deeplearning-wisc/hypo.

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.

The deployment of autonomous AI agents in sensitive domains, such as healthcare, introduces critical risks to safety, security, and privacy. These agents may deviate from user objectives, violate data handling policies, or be compromised by adversarial attacks. Mitigating these dangers necessitates a mechanism to formally guarantee that an agent's actions adhere to predefined safety constraints, a challenge that existing systems do not fully address. We introduce VeriGuard, a novel framework that provides formal safety guarantees for LLM-based agents through a dual-stage architecture designed for robust and verifiable correctness. The initial offline stage involves a comprehensive validation process. It begins by clarifying user intent to establish precise safety specifications. VeriGuard then synthesizes a behavioral policy and subjects it to both testing and formal verification to prove its compliance with these specifications. This iterative process refines the policy until it is deemed correct. Subsequently, the second stage provides online action monitoring, where VeriGuard operates as a runtime monitor to validate each proposed agent action against the pre-verified policy before execution. This separation of the exhaustive offline validation from the lightweight online monitoring allows formal guarantees to be practically applied, providing a robust safeguard that substantially improves the trustworthiness of LLM agents.

The o1 system card identifies the o1 models as the most robust within OpenAI, with their defining characteristic being the progression from rapid, intuitive thinking to slower, more deliberate reasoning. This observation motivated us to investigate the influence of System-2 thinking patterns on model safety. In our preliminary research, we conducted safety evaluations of the o1 model, including complex jailbreak attack scenarios using adversarial natural language prompts and mathematical encoding prompts. Our findings indicate that the o1 model demonstrates relatively improved safety performance; however, it still exhibits vulnerabilities, particularly against jailbreak attacks employing mathematical encoding. Through detailed case analysis, we identified specific patterns in the o1 model's responses. We also explored the alignment of System-2 safety in open-source models using prompt engineering and supervised fine-tuning techniques. Experimental results show that some simple methods to encourage the model to carefully scrutinize user requests are beneficial for model safety. Additionally, we proposed a implementation plan for process supervision to enhance safety alignment. The implementation details and experimental results will be provided in future versions.

Semantic segmentation models classify pixels into a set of known (``in-distribution'') visual classes. When deployed in an open world, the reliability of these models depends on their ability not only to classify in-distribution pixels but also to detect out-of-distribution (OoD) pixels. Historically, the poor OoD detection performance of these models has motivated the design of methods based on model re-training using synthetic training images that include OoD visual objects. Although successful, these re-trained methods have two issues: 1) their in-distribution segmentation accuracy may drop during re-training, and 2) their OoD detection accuracy does not generalise well to new contexts (e.g., country surroundings) outside the training set (e.g., city surroundings). In this paper, we mitigate these issues with: (i) a new residual pattern learning (RPL) module that assists the segmentation model to detect OoD pixels without affecting the inlier segmentation performance; and (ii) a novel context-robust contrastive learning (CoroCL) that enforces RPL to robustly detect OoD pixels among various contexts. Our approach improves by around 10\% FPR and 7\% AuPRC the previous state-of-the-art in Fishyscapes, Segment-Me-If-You-Can, and RoadAnomaly datasets. Our code is available at: https://github.com/yyliu01/RPL.

The optimized certainty equivalent (OCE) is a family of risk measures that cover important examples such as entropic risk, conditional value-at-risk and mean-variance models. In this paper, we propose a new episodic risk-sensitive reinforcement learning formulation based on tabular Markov decision processes with recursive OCEs. We design an efficient learning algorithm for this problem based on value iteration and upper confidence bound. We derive an upper bound on the regret of the proposed algorithm, and also establish a minimax lower bound. Our bounds show that the regret rate achieved by our proposed algorithm has optimal dependence on the number of episodes and the number of actions.

Prediction sets capture uncertainty by predicting sets of labels rather than individual labels, enabling downstream decisions to conservatively account for all plausible outcomes. Conformal inference algorithms construct prediction sets guaranteed to contain the true label with high probability. These guarantees fail to hold in the face of distribution shift, which is precisely when reliable uncertainty quantification can be most useful. We propose a novel algorithm for constructing prediction sets with PAC guarantees in the label shift setting. This method estimates the predicted probabilities of the classes in a target domain, as well as the confusion matrix, then propagates uncertainty in these estimates through a Gaussian elimination algorithm to compute confidence intervals for importance weights. Finally, it uses these intervals to construct prediction sets. We evaluate our approach on five datasets: the CIFAR-10, ChestX-Ray and Entity-13 image datasets, the tabular CDC Heart dataset, and the AGNews text dataset. Our algorithm satisfies the PAC guarantee while producing smaller, more informative, prediction sets compared to several baselines.

The o1 model series is trained with large-scale reinforcement learning to reason using chain of thought. These advanced reasoning capabilities provide new avenues for improving the safety and robustness of our models. In particular, our models can reason about our safety policies in context when responding to potentially unsafe prompts, through deliberative alignment. This leads to state-of-the-art performance on certain benchmarks for risks such as generating illicit advice, choosing stereotyped responses, and succumbing to known jailbreaks. Training models to incorporate a chain of thought before answering has the potential to unlock substantial benefits, while also increasing potential risks that stem from heightened intelligence. Our results underscore the need for building robust alignment methods, extensively stress-testing their efficacy, and maintaining meticulous risk management protocols. This report outlines the safety work carried out for the OpenAI o1 and OpenAI o1-mini models, including safety evaluations, external red teaming, and Preparedness Framework evaluations.

Reliable estimation of predictive uncertainty is crucial for machine learning applications, particularly in high-stakes scenarios where hedging against risks is essential. Despite its significance, there is no universal agreement on how to best quantify predictive uncertainty. In this work, we revisit core concepts to propose a framework for information-theoretic measures of predictive uncertainty. Our proposed framework categorizes predictive uncertainty measures according to two factors: (I) The predicting model (II) The approximation of the true predictive distribution. Examining all possible combinations of these two factors, we derive a set of predictive uncertainty measures that includes both known and newly introduced ones. We extensively evaluate these measures across a broad set of tasks, identifying conditions under which certain measures excel. Our findings show the importance of aligning the choice of uncertainty measure with the predicting model on in-distribution (ID) data, the limitations of epistemic uncertainty measures for out-of-distribution (OOD) data, and that the disentanglement between measures varies substantially between ID and OOD data. Together, these insights provide a more comprehensive understanding of predictive uncertainty measures, revealing their implicit assumptions and relationships.

Machine learning programs, such as those performing inference, fine-tuning, and training of LLMs, are commonly delegated to untrusted compute providers. To provide correctness guarantees for the client, we propose adapting the cryptographic notion of refereed delegation to the machine learning setting. This approach enables a computationally limited client to delegate a program to multiple untrusted compute providers, with a guarantee of obtaining the correct result if at least one of them is honest. Refereed delegation of ML programs poses two technical hurdles: (1) an arbitration protocol to resolve disputes when compute providers disagree on the output, and (2) the ability to bitwise reproduce ML programs across different hardware setups, For (1), we design Verde, a dispute arbitration protocol that efficiently handles the large scale and graph-based computational model of modern ML programs. For (2), we build RepOps (Reproducible Operators), a library that eliminates hardware "non-determinism" by controlling the order of floating point operations performed on all hardware. Our implementation shows that refereed delegation achieves both strong guarantees for clients and practical overheads for compute providers.

We study the accuracy of differentially private mechanisms in the continual release model. A continual release mechanism receives a sensitive dataset as a stream of T inputs and produces, after receiving each input, an accurate output on the obtained inputs. In contrast, a batch algorithm receives the data as one batch and produces a single output. We provide the first strong lower bounds on the error of continual release mechanisms. In particular, for two fundamental problems that are widely studied and used in the batch model, we show that the worst case error of every continual release algorithm is tilde Omega(T^{1/3}) times larger than that of the best batch algorithm. Previous work shows only a polylogarithimic (in T) gap between the worst case error achievable in these two models; further, for many problems, including the summation of binary attributes, the polylogarithmic gap is tight (Dwork et al., 2010; Chan et al., 2010). Our results show that problems closely related to summation -- specifically, those that require selecting the largest of a set of sums -- are fundamentally harder in the continual release model than in the batch model. Our lower bounds assume only that privacy holds for streams fixed in advance (the "nonadaptive" setting). However, we provide matching upper bounds that hold in a model where privacy is required even for adaptively selected streams. This model may be of independent interest.

Large language model (LLM)-based AI agents extend LLM capabilities by enabling access to tools such as data sources, APIs, search engines, code sandboxes, and even other agents. While this empowers agents to perform complex tasks, LLMs may invoke unintended tool interactions and introduce risks, such as leaking sensitive data or overwriting critical records, which are unacceptable in enterprise contexts. Current approaches to mitigate these risks, such as model-based safeguards, enhance agents' reliability but cannot guarantee system safety. Methods like information flow control (IFC) and temporal constraints aim to provide guarantees but often require extensive human annotation. We propose a process that starts with applying System-Theoretic Process Analysis (STPA) to identify hazards in agent workflows, derive safety requirements, and formalize them as enforceable specifications on data flows and tool sequences. To enable this, we introduce a capability-enhanced Model Context Protocol (MCP) framework that requires structured labels on capabilities, confidentiality, and trust level. Together, these contributions aim to shift LLM-based agent safety from ad hoc reliability fixes to proactive guardrails with formal guarantees, while reducing dependence on user confirmation and making autonomy a deliberate design choice.

Out-of-distribution (OOD) generalization is a favorable yet challenging property for deep neural networks. The core challenges lie in the limited availability of source domains that help models learn an invariant representation from the spurious features. Various domain augmentation have been proposed but largely rely on interpolating existing domains and frequently face difficulties in creating truly "novel" domains. Humans, on the other hand, can easily extrapolate novel domains, thus, an intriguing question arises: How can neural networks extrapolate like humans and achieve OOD generalization? We introduce a novel approach to domain extrapolation that leverages reasoning ability and the extensive knowledge encapsulated within large language models (LLMs) to synthesize entirely new domains. Starting with the class of interest, we query the LLMs to extract relevant knowledge for these novel domains. We then bridge the gap between the text-centric knowledge derived from LLMs and the pixel input space of the model using text-to-image generation techniques. By augmenting the training set of domain generalization datasets with high-fidelity, photo-realistic images of these new domains, we achieve significant improvements over all existing methods, as demonstrated in both single and multi-domain generalization across various benchmarks. With the ability to extrapolate any domains for any class, our method has the potential to learn a generalized model for any task without any data. To illustrate, we put forth a much more difficult setting termed, data-free domain generalization, that aims to learn a generalized model in the absence of any collected data. Our empirical findings support the above argument and our methods exhibit commendable performance in this setting, even surpassing the supervised setting by approximately 1-2\% on datasets such as VLCS.

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

Quantitative tools are increasingly appealing for decision support in healthcare, driven by the growing capabilities of advanced AI systems. However, understanding the predictive uncertainties surrounding a tool's output is crucial for decision-makers to ensure reliable and transparent decisions. In this paper, we present a case study on pulmonary nodule detection for lung cancer screening, enhancing an advanced detection model with an uncertainty quantification technique called conformal risk control (CRC). We demonstrate that prediction sets with conformal guarantees are attractive measures of predictive uncertainty in the safety-critical healthcare domain, allowing end-users to achieve arbitrary validity by trading off false positives and providing formal statistical guarantees on model performance. Among ground-truth nodules annotated by at least three radiologists, our model achieves a sensitivity that is competitive with that generally achieved by individual radiologists, with a slight increase in false positives. Furthermore, we illustrate the risks of using off-the-shelve prediction models when faced with ontological uncertainty, such as when radiologists disagree on what constitutes the ground truth on pulmonary nodules.