Daily Papers

Large language models (LLMs) struggle with multi-step reasoning, where inference-time scaling has emerged as a promising strategy for performance improvement. Verifier-guided search outperforms repeated sampling when sample size is limited by selecting and prioritizing valid reasoning paths. However, we identify a critical limitation: scaling flaws, prevalent across different models (Mistral 7B and DeepSeekMath 7B), benchmarks (GSM8K and MATH), and verifiers (outcome value models and process reward models). As sample size increases, verifier-guided search exhibits diminishing advantages and eventually underperforms repeated sampling. Our analysis attributes this to verifier failures, where imperfect verifiers misrank candidates and erroneously prune all valid paths. These issues are further exacerbated in challenging and out-of-distribution problems, restricting search effectiveness. To mitigate verifier failures, we explore reducing reliance on verifiers and conduct preliminary investigations using two simple methods. Our findings reveal fundamental limitations in verifier-guided search and suggest future directions.

Learning to optimize (L2O) is an emerging approach that leverages machine learning to develop optimization methods, aiming at reducing the laborious iterations of hand engineering. It automates the design of an optimization method based on its performance on a set of training problems. This data-driven procedure generates methods that can efficiently solve problems similar to those in the training. In sharp contrast, the typical and traditional designs of optimization methods are theory-driven, so they obtain performance guarantees over the classes of problems specified by the theory. The difference makes L2O suitable for repeatedly solving a certain type of optimization problems over a specific distribution of data, while it typically fails on out-of-distribution problems. The practicality of L2O depends on the type of target optimization, the chosen architecture of the method to learn, and the training procedure. This new paradigm has motivated a community of researchers to explore L2O and report their findings. This article is poised to be the first comprehensive survey and benchmark of L2O for continuous optimization. We set up taxonomies, categorize existing works and research directions, present insights, and identify open challenges. We also benchmarked many existing L2O approaches on a few but representative optimization problems. For reproducible research and fair benchmarking purposes, we released our software implementation and data in the package Open-L2O at https://github.com/VITA-Group/Open-L2O.

Large language models (LLMs) are increasingly evaluated on formal tasks, where strong reasoning abilities define the state of the art. However, their ability to generalize to out-of-distribution problems remains limited. In this paper, we investigate how LLMs can achieve a systematic understanding of deductive rules. Our focus is on the task of identifying the appropriate subset of premises within a knowledge base needed to derive a given hypothesis. To tackle this challenge, we propose Meta-learning for In-context Deduction (MIND), a novel few-shot meta-learning fine-tuning approach. The goal of MIND is to enable models to generalize more effectively to unseen knowledge bases and to systematically apply inference rules. Our results show that MIND significantly improves generalization in small LMs ranging from 1.5B to 7B parameters. The benefits are especially pronounced in smaller models and low-data settings. Remarkably, small models fine-tuned with MIND outperform state-of-the-art LLMs, such as GPT-4o and o3-mini, on this task.

The powerful ability to understand, follow, and generate complex language emerging from large language models (LLMs) makes LLM-generated text flood many areas of our daily lives at an incredible speed and is widely accepted by humans. As LLMs continue to expand, there is an imperative need to develop detectors that can detect LLM-generated text. This is crucial to mitigate potential misuse of LLMs and safeguard realms like artistic expression and social networks from harmful influence of LLM-generated content. The LLM-generated text detection aims to discern if a piece of text was produced by an LLM, which is essentially a binary classification task. The detector techniques have witnessed notable advancements recently, propelled by innovations in watermarking techniques, zero-shot methods, fine-turning LMs methods, adversarial learning methods, LLMs as detectors, and human-assisted methods. In this survey, we collate recent research breakthroughs in this area and underscore the pressing need to bolster detector research. We also delve into prevalent datasets, elucidating their limitations and developmental requirements. Furthermore, we analyze various LLM-generated text detection paradigms, shedding light on challenges like out-of-distribution problems, potential attacks, and data ambiguity. Conclusively, we highlight interesting directions for future research in LLM-generated text detection to advance the implementation of responsible artificial intelligence (AI). Our aim with this survey is to provide a clear and comprehensive introduction for newcomers while also offering seasoned researchers a valuable update in the field of LLM-generated text detection. The useful resources are publicly available at: https://github.com/NLP2CT/LLM-generated-Text-Detection.

Learning to Optimize (L2O), a technique that utilizes machine learning to learn an optimization algorithm automatically from data, has gained arising attention in recent years. A generic L2O approach parameterizes the iterative update rule and learns the update direction as a black-box network. While the generic approach is widely applicable, the learned model can overfit and may not generalize well to out-of-distribution test sets. In this paper, we derive the basic mathematical conditions that successful update rules commonly satisfy. Consequently, we propose a novel L2O model with a mathematics-inspired structure that is broadly applicable and generalized well to out-of-distribution problems. Numerical simulations validate our theoretical findings and demonstrate the superior empirical performance of the proposed L2O model.

Position embedding is a core component of current Large Language Models (LLMs). Rotary position embedding (RoPE), a technique that encodes the position information with a rotation matrix, has been the de facto choice for position embedding in many LLMs, such as the Llama series. RoPE has been further utilized to extend long context capability, which is roughly based on adjusting the base parameter of RoPE to mitigate out-of-distribution (OOD) problems in position embedding. However, in this paper, we find that LLMs may obtain a superficial long-context ability based on the OOD theory. We revisit the role of RoPE in LLMs and propose a novel property of long-term decay, we derive that the base of RoPE bounds context length: there is an absolute lower bound for the base value to obtain certain context length capability. Our work reveals the relationship between context length and RoPE base both theoretically and empirically, which may shed light on future long context training.

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

Monocular 3D object detection (Mono 3Det) aims to identify 3D objects from a single RGB image. However, existing methods often assume training and test data follow the same distribution, which may not hold in real-world test scenarios. To address the out-of-distribution (OOD) problems, we explore a new adaptation paradigm for Mono 3Det, termed Fully Test-time Adaptation. It aims to adapt a well-trained model to unlabeled test data by handling potential data distribution shifts at test time without access to training data and test labels. However, applying this paradigm in Mono 3Det poses significant challenges due to OOD test data causing a remarkable decline in object detection scores. This decline conflicts with the pre-defined score thresholds of existing detection methods, leading to severe object omissions (i.e., rare positive detections and many false negatives). Consequently, the limited positive detection and plenty of noisy predictions cause test-time adaptation to fail in Mono 3Det. To handle this problem, we propose a novel Monocular Test-Time Adaptation (MonoTTA) method, based on two new strategies. 1) Reliability-driven adaptation: we empirically find that high-score objects are still reliable and the optimization of high-score objects can enhance confidence across all detections. Thus, we devise a self-adaptive strategy to identify reliable objects for model adaptation, which discovers potential objects and alleviates omissions. 2) Noise-guard adaptation: since high-score objects may be scarce, we develop a negative regularization term to exploit the numerous low-score objects via negative learning, preventing overfitting to noise and trivial solutions. Experimental results show that MonoTTA brings significant performance gains for Mono 3Det models in OOD test scenarios, approximately 190% gains by average on KITTI and 198% gains on nuScenes.

Recent large-scale language models (LLMs) with long Chain-of-Thought reasoning-such as DeepSeek-R1-have achieved impressive results on Olympiad-level mathematics benchmarks. However, they often rely on a narrow set of strategies and struggle with problems that require a novel way of thinking. To systematically investigate these limitations, we introduce OMEGA-Out-of-distribution Math Problems Evaluation with 3 Generalization Axes-a controlled yet diverse benchmark designed to evaluate three axes of out-of-distribution generalization, inspired by Boden's typology of creativity: (1) Exploratory-applying known problem solving skills to more complex instances within the same problem domain; (2) Compositional-combining distinct reasoning skills, previously learned in isolation, to solve novel problems that require integrating these skills in new and coherent ways; and (3) Transformative-adopting novel, often unconventional strategies by moving beyond familiar approaches to solve problems more effectively. OMEGA consists of programmatically generated training-test pairs derived from templated problem generators across geometry, number theory, algebra, combinatorics, logic, and puzzles, with solutions verified using symbolic, numerical, or graphical methods. We evaluate frontier (or top-tier) LLMs and observe sharp performance degradation as problem complexity increases. Moreover, we fine-tune the Qwen-series models across all generalization settings and observe notable improvements in exploratory generalization, while compositional generalization remains limited and transformative reasoning shows little to no improvement. By isolating and quantifying these fine-grained failures, OMEGA lays the groundwork for advancing LLMs toward genuine mathematical creativity beyond mechanical proficiency.

In autonomous driving, vision-centric 3D detection aims to identify 3D objects from images. However, high data collection costs and diverse real-world scenarios limit the scale of training data. Once distribution shifts occur between training and test data, existing methods often suffer from performance degradation, known as Out-of-Distribution (OOD) problems. To address this, controllable Text-to-Image (T2I) diffusion offers a potential solution for training data enhancement, which is required to generate diverse OOD scenarios with precise 3D object geometry. Nevertheless, existing controllable T2I approaches are restricted by the limited scale of training data or struggle to preserve all annotated 3D objects. In this paper, we present DriveGEN, a method designed to improve the robustness of 3D detectors in Driving via Training-Free Controllable Text-to-Image Diffusion Generation. Without extra diffusion model training, DriveGEN consistently preserves objects with precise 3D geometry across diverse OOD generations, consisting of 2 stages: 1) Self-Prototype Extraction: We empirically find that self-attention features are semantic-aware but require accurate region selection for 3D objects. Thus, we extract precise object features via layouts to capture 3D object geometry, termed self-prototypes. 2) Prototype-Guided Diffusion: To preserve objects across various OOD scenarios, we perform semantic-aware feature alignment and shallow feature alignment during denoising. Extensive experiments demonstrate the effectiveness of DriveGEN in improving 3D detection. The code is available at https://github.com/Hongbin98/DriveGEN.

Reinforcement learning (RL) has proven effective for fine-tuning large language models (LLMs), significantly enhancing their reasoning abilities in domains such as mathematics and code generation. A crucial factor influencing RL fine-tuning success is the training curriculum: the order in which training problems are presented. While random curricula serve as common baselines, they remain suboptimal; manually designed curricula often rely heavily on heuristics, and online filtering methods can be computationally prohibitive. To address these limitations, we propose Self-Evolving Curriculum (SEC), an automatic curriculum learning method that learns a curriculum policy concurrently with the RL fine-tuning process. Our approach formulates curriculum selection as a non-stationary Multi-Armed Bandit problem, treating each problem category (e.g., difficulty level or problem type) as an individual arm. We leverage the absolute advantage from policy gradient methods as a proxy measure for immediate learning gain. At each training step, the curriculum policy selects categories to maximize this reward signal and is updated using the TD(0) method. Across three distinct reasoning domains: planning, inductive reasoning, and mathematics, our experiments demonstrate that SEC significantly improves models' reasoning capabilities, enabling better generalization to harder, out-of-distribution test problems. Additionally, our approach achieves better skill balance when fine-tuning simultaneously on multiple reasoning domains. These findings highlight SEC as a promising strategy for RL fine-tuning of LLMs.

Denoising diffusion models have emerged as the go-to framework for solving inverse problems in imaging. A critical concern regarding these models is their performance on out-of-distribution (OOD) tasks, which remains an under-explored challenge. Realistic reconstructions inconsistent with the measured data can be generated, hallucinating image features that are uniquely present in the training dataset. To simultaneously enforce data-consistency and leverage data-driven priors, we introduce a novel sampling framework called Steerable Conditional Diffusion. This framework adapts the denoising network specifically to the available measured data. Utilising our proposed method, we achieve substantial enhancements in OOD performance across diverse imaging modalities, advancing the robust deployment of denoising diffusion models in real-world applications.

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.

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

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

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.

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.

Conditional normalizing flows can generate diverse image samples for solving inverse problems. Most normalizing flows for inverse problems in imaging employ the conditional affine coupling layer that can generate diverse images quickly. However, unintended severe artifacts are occasionally observed in the output of them. In this work, we address this critical issue by investigating the origins of these artifacts and proposing the conditions to avoid them. First of all, we empirically and theoretically reveal that these problems are caused by "exploding inverse" in the conditional affine coupling layer for certain out-of-distribution (OOD) conditional inputs. Then, we further validated that the probability of causing erroneous artifacts in pixels is highly correlated with a Mahalanobis distance-based OOD score for inverse problems in imaging. Lastly, based on our investigations, we propose a remark to avoid exploding inverse and then based on it, we suggest a simple remedy that substitutes the affine coupling layers with the modified rational quadratic spline coupling layers in normalizing flows, to encourage the robustness of generated image samples. Our experimental results demonstrated that our suggested methods effectively suppressed critical artifacts occurring in normalizing flows for super-resolution space generation and low-light image enhancement.

While state-of-the-art NLP models have been achieving the excellent performance of a wide range of tasks in recent years, important questions are being raised about their robustness and their underlying sensitivity to systematic biases that may exist in their training and test data. Such issues come to be manifest in performance problems when faced with out-of-distribution data in the field. One recent solution has been to use counterfactually augmented datasets in order to reduce any reliance on spurious patterns that may exist in the original data. Producing high-quality augmented data can be costly and time-consuming as it usually needs to involve human feedback and crowdsourcing efforts. In this work, we propose an alternative by describing and evaluating an approach to automatically generating counterfactual data for data augmentation and explanation. A comprehensive evaluation on several different datasets and using a variety of state-of-the-art benchmarks demonstrate how our approach can achieve significant improvements in model performance when compared to models training on the original data and even when compared to models trained with the benefit of human-generated augmented data.

Neural Ordinary Differential Equations (NODEs) often struggle to adapt to new dynamic behaviors caused by parameter changes in the underlying physical system, even when these dynamics are similar to previously observed behaviors. This problem becomes more challenging when the changing parameters are unobserved, meaning their value or influence cannot be directly measured when collecting data. To address this issue, we introduce Neural Context Flow (NCF), a robust and interpretable Meta-Learning framework that includes uncertainty estimation. NCF uses Taylor expansion to enable contextual self-modulation, allowing context vectors to influence dynamics from other domains while also modulating themselves. After establishing theoretical guarantees, we empirically test NCF and compare it to related adaptation methods. Our results show that NCF achieves state-of-the-art Out-of-Distribution performance on 5 out of 6 linear and non-linear benchmark problems. Through extensive experiments, we explore the flexible model architecture of NCF and the encoded representations within the learned context vectors. Our findings highlight the potential implications of NCF for foundational models in the physical sciences, offering a promising approach to improving the adaptability and generalization of NODEs in various scientific applications. Our code is openly available at https://github.com/ddrous/ncflow.

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and require large amounts of {\em labeled} training data. We propose the Deep Generative Neural Operator (DGNO), a physics-aware framework that addresses these challenges by leveraging a deep, generative, probabilistic model in combination with a set of lower-dimensional, latent variables that simultaneously encode PDE-inputs and PDE-outputs. This formulation can make use of unlabeled data and significantly improves inverse problem-solving, particularly for discontinuous or discrete-valued input functions. DGNO enforces physics constraints without labeled data by incorporating as virtual observables, weak-form residuals based on compactly supported radial basis functions (CSRBFs). These relax regularity constraints and eliminate higher-order derivatives from the objective function. We also introduce MultiONet, a novel neural operator architecture, which is a more expressive generalization of the popular DeepONet that significantly enhances the approximating power of the proposed model. These innovations make DGNO particularly effective for challenging forward and inverse, PDE-based problems, such as those involving multi-phase media. Numerical experiments demonstrate that DGNO achieves higher accuracy across multiple benchmarks while exhibiting robustness to noise and strong generalization to out-of-distribution cases. Its adaptability, and the ability to handle sparse, noisy data while providing probabilistic estimates, make DGNO a powerful tool for scientific and engineering applications.

Despite the success of neural-based combinatorial optimization methods for end-to-end heuristic learning, out-of-distribution generalization remains a challenge. In this paper, we present a novel formulation of Combinatorial Optimization Problems (COPs) as Markov Decision Processes (MDPs) that effectively leverages common symmetries of COPs to improve out-of-distribution robustness. Starting from a direct MDP formulation of a constructive method, we introduce a generic way to reduce the state space, based on Bisimulation Quotienting (BQ) in MDPs. Then, for COPs with a recursive nature, we specialize the bisimulation and show how the reduced state exploits the symmetries of these problems and facilitates MDP solving. Our approach is principled and we prove that an optimal policy for the proposed BQ-MDP actually solves the associated COPs. We illustrate our approach on five classical problems: the Euclidean and Asymmetric Traveling Salesman, Capacitated Vehicle Routing, Orienteering and Knapsack Problems. Furthermore, for each problem, we introduce a simple attention-based policy network for the BQ-MDPs, which we train by imitation of (near) optimal solutions of small instances from a single distribution. We obtain new state-of-the-art results for the five COPs on both synthetic and realistic benchmarks. Notably, in contrast to most existing neural approaches, our learned policies show excellent generalization performance to much larger instances than seen during training, without any additional search procedure.

Sparse Autoencoders (SAEs) have emerged as a promising solution for decomposing large language model representations into interpretable features. However, Paulo and Belrose (2025) have highlighted instability across different initialization seeds, and Heap et al. (2025) have pointed out that SAEs may not capture model-internal features. These problems likely stem from training SAEs on external datasets - either collected from the Web or generated by another model - which may contain out-of-distribution (OOD) data beyond the model's generalisation capabilities. This can result in hallucinated SAE features, which we term "Fake Features", that misrepresent the model's internal activations. To address these issues, we propose FaithfulSAE, a method that trains SAEs on the model's own synthetic dataset. Using FaithfulSAEs, we demonstrate that training SAEs on less-OOD instruction datasets results in SAEs being more stable across seeds. Notably, FaithfulSAEs outperform SAEs trained on web-based datasets in the SAE probing task and exhibit a lower Fake Feature Ratio in 5 out of 7 models. Overall, our approach eliminates the dependency on external datasets, advancing interpretability by better capturing model-internal features while highlighting the often neglected importance of SAE training datasets.

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent efforts have focused on two categories for SR methods. One is using a neural network or genetic programming to search the expression tree directly. Although this has shown promising results, the large search space poses difficulties in learning constant factors and processing high-dimensional problems. Another approach is leveraging a transformer-based model training on synthetic data and offers advantages in inference speed. However, this method is limited to fixed small numbers of dimensions and may encounter inference problems when given data is out-of-distribution compared to the synthetic data. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore DySymNet with various structures and optimize them to identify expressions that better-fitting the data. With a topology structure like neural networks, DySymNet not only tackles the challenge of high-dimensional problems but also proves effective in optimizing constants. Based on extensive numerical experiments using low-dimensional public standard benchmarks and the well-known SRBench with more variables, our method achieves state-of-the-art performance in terms of fitting accuracy and robustness to noise.

Decomposition-based multi-hop retrieval methods rely on many autoregressive steps to break down complex queries, which breaks end-to-end differentiability and is computationally expensive. Decomposition-free methods tackle this, but current decomposition-free approaches struggle with longer multi-hop problems and generalization to out-of-distribution data. To address these challenges, we introduce GRITHopper-7B, a novel multi-hop dense retrieval model that achieves state-of-the-art performance on both in-distribution and out-of-distribution benchmarks. GRITHopper combines generative and representational instruction tuning by integrating causal language modeling with dense retrieval training. Through controlled studies, we find that incorporating additional context after the retrieval process, referred to as post-retrieval language modeling, enhances dense retrieval performance. By including elements such as final answers during training, the model learns to better contextualize and retrieve relevant information. GRITHopper-7B offers a robust, scalable, and generalizable solution for multi-hop dense retrieval, and we release it to the community for future research and applications requiring multi-hop reasoning and retrieval capabilities.

Mathematical reasoning in Large Language Models (LLMs) is often evaluated using benchmarks with limited numerical ranges, failing to reflect real-world problem-solving across diverse scales. Furthermore, most existing evaluation methods only compare model outputs to ground-truth answers, obscuring insights into reasoning processes. To address these limitations, we introduce GSM-Ranges, a dataset generator derived from GSM8K that systematically perturbs numerical values in math problems to assess model robustness across varying numerical scales. Additionally, we propose a novel grading methodology that distinguishes between logical and non-logical errors, offering a more precise evaluation of reasoning processes beyond computational accuracy. Our experiments with various models reveal a significant increase in logical error rates-up to 14 percentage points-as numerical complexity rises, demonstrating a general weakness in reasoning with out-of-distribution numerical values. Moreover, while models demonstrate high accuracy on standalone arithmetic tasks, their performance deteriorates substantially when computations are embedded within word problems. These findings provide a comprehensive evaluation of LLMs' mathematical reasoning capabilities and inform future research directions for improving numerical generalization in language models.

To demystify the "black box" property of deep neural networks for natural language processing (NLP), several methods have been proposed to interpret their predictions by measuring the change in prediction probability after erasing each token of an input. Since existing methods replace each token with a predefined value (i.e., zero), the resulting sentence lies out of the training data distribution, yielding misleading interpretations. In this study, we raise the out-of-distribution problem induced by the existing interpretation methods and present a remedy; we propose to marginalize each token out. We interpret various NLP models trained for sentiment analysis and natural language inference using the proposed method.

Large language models often struggle with length generalization and solving complex problem instances beyond their training distribution. We present a self-improvement approach where models iteratively generate and learn from their own solutions, progressively tackling harder problems while maintaining a standard transformer architecture. Across diverse tasks including arithmetic, string manipulation, and maze solving, self-improving enables models to solve problems far beyond their initial training distribution-for instance, generalizing from 10-digit to 100-digit addition without apparent saturation. We observe that in some cases filtering for correct self-generated examples leads to exponential improvements in out-of-distribution performance across training rounds. Additionally, starting from pretrained models significantly accelerates this self-improvement process for several tasks. Our results demonstrate how controlled weak-to-strong curricula can systematically teach a model logical extrapolation without any changes to the positional embeddings, or the model architecture.

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

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.

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.

Fine-tuning large language models (LLMs) can lead to unintended out-of-distribution generalization. Standard approaches to this problem rely on modifying training data, for example by adding data that better specify the intended generalization. However, this is not always practical. We introduce Concept Ablation Fine-Tuning (CAFT), a technique that leverages interpretability tools to control how LLMs generalize from fine-tuning, without needing to modify the training data or otherwise use data from the target distribution. Given a set of directions in an LLM's latent space corresponding to undesired concepts, CAFT works by ablating these concepts with linear projections during fine-tuning, steering the model away from unintended generalizations. We successfully apply CAFT to three fine-tuning tasks, including emergent misalignment, a phenomenon where LLMs fine-tuned on a narrow task generalize to give egregiously misaligned responses to general questions. Without any changes to the fine-tuning data, CAFT reduces misaligned responses by 10x without degrading performance on the training distribution. Overall, CAFT represents a novel approach for steering LLM generalization without modifying training data.

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.

Generalized Zero-Shot Learning (GZSL) is a challenging topic that has promising prospects in many realistic scenarios. Using a gating mechanism that discriminates the unseen samples from the seen samples can decompose the GZSL problem to a conventional Zero-Shot Learning (ZSL) problem and a supervised classification problem. However, training the gate is usually challenging due to the lack of data in the unseen domain. To resolve this problem, in this paper, we propose a boundary based Out-of-Distribution (OOD) classifier which classifies the unseen and seen domains by only using seen samples for training. First, we learn a shared latent space on a unit hyper-sphere where the latent distributions of visual features and semantic attributes are aligned class-wisely. Then we find the boundary and the center of the manifold for each class. By leveraging the class centers and boundaries, the unseen samples can be separated from the seen samples. After that, we use two experts to classify the seen and unseen samples separately. We extensively validate our approach on five popular benchmark datasets including AWA1, AWA2, CUB, FLO and SUN. The experimental results demonstrate the advantages of our approach over state-of-the-art methods.

We consider the problem of detecting out-of-distribution images in neural networks. We propose ODIN, a simple and effective method that does not require any change to a pre-trained neural network. Our method is based on the observation that using temperature scaling and adding small perturbations to the input can separate the softmax score distributions between in- and out-of-distribution images, allowing for more effective detection. We show in a series of experiments that ODIN is compatible with diverse network architectures and datasets. It consistently outperforms the baseline approach by a large margin, establishing a new state-of-the-art performance on this task. For example, ODIN reduces the false positive rate from the baseline 34.7% to 4.3% on the DenseNet (applied to CIFAR-10) when the true positive rate is 95%.

Generalized Zero-Shot Learning (GZSL) is a challenging task requiring accurate classification of both seen and unseen classes. Within this domain, Audio-visual GZSL emerges as an extremely exciting yet difficult task, given the inclusion of both visual and acoustic features as multi-modal inputs. Existing efforts in this field mostly utilize either embedding-based or generative-based methods. However, generative training is difficult and unstable, while embedding-based methods often encounter domain shift problem. Thus, we find it promising to integrate both methods into a unified framework to leverage their advantages while mitigating their respective disadvantages. Our study introduces a general framework employing out-of-distribution (OOD) detection, aiming to harness the strengths of both approaches. We first employ generative adversarial networks to synthesize unseen features, enabling the training of an OOD detector alongside classifiers for seen and unseen classes. This detector determines whether a test feature belongs to seen or unseen classes, followed by classification utilizing separate classifiers for each feature type. We test our framework on three popular audio-visual datasets and observe a significant improvement comparing to existing state-of-the-art works. Codes can be found in https://github.com/liuyuan-wen/AV-OOD-GZSL.

Human pose and shape (HPS) estimation methods achieve remarkable results. However, current HPS benchmarks are mostly designed to test models in scenarios that are similar to the training data. This can lead to critical situations in real-world applications when the observed data differs significantly from the training data and hence is out-of-distribution (OOD). It is therefore important to test and improve the OOD robustness of HPS methods. To address this fundamental problem, we develop a simulator that can be controlled in a fine-grained manner using interpretable parameters to explore the manifold of images of human pose, e.g. by varying poses, shapes, and clothes. We introduce a learning-based testing method, termed PoseExaminer, that automatically diagnoses HPS algorithms by searching over the parameter space of human pose images to find the failure modes. Our strategy for exploring this high-dimensional parameter space is a multi-agent reinforcement learning system, in which the agents collaborate to explore different parts of the parameter space. We show that our PoseExaminer discovers a variety of limitations in current state-of-the-art models that are relevant in real-world scenarios but are missed by current benchmarks. For example, it finds large regions of realistic human poses that are not predicted correctly, as well as reduced performance for humans with skinny and corpulent body shapes. In addition, we show that fine-tuning HPS methods by exploiting the failure modes found by PoseExaminer improve their robustness and even their performance on standard benchmarks by a significant margin. The code are available for research purposes.

We address the problem of out-of-distribution (OOD) detection for the task of object detection. We show that residual convolutional layers with batch normalisation produce Sensitivity-Aware FEatures (SAFE) that are consistently powerful for distinguishing in-distribution from out-of-distribution detections. We extract SAFE vectors for every detected object, and train a multilayer perceptron on the surrogate task of distinguishing adversarially perturbed from clean in-distribution examples. This circumvents the need for realistic OOD training data, computationally expensive generative models, or retraining of the base object detector. SAFE outperforms the state-of-the-art OOD object detectors on multiple benchmarks by large margins, e.g. reducing the FPR95 by an absolute 30.6% from 48.3% to 17.7% on the OpenImages dataset.

As black-box models increasingly power high-stakes applications, a variety of data-driven explanation methods have been introduced. Meanwhile, machine learning models are constantly challenged by distributional shifts. A question naturally arises: Are data-driven explanations robust against out-of-distribution data? Our empirical results show that even though predict correctly, the model might still yield unreliable explanations under distributional shifts. How to develop robust explanations against out-of-distribution data? To address this problem, we propose an end-to-end model-agnostic learning framework Distributionally Robust Explanations (DRE). The key idea is, inspired by self-supervised learning, to fully utilizes the inter-distribution information to provide supervisory signals for the learning of explanations without human annotation. Can robust explanations benefit the model's generalization capability? We conduct extensive experiments on a wide range of tasks and data types, including classification and regression on image and scientific tabular data. Our results demonstrate that the proposed method significantly improves the model's performance in terms of explanation and prediction robustness against distributional shifts.

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions that may cause performance drops. In this work, we investigate methods for predicting the target domain accuracy using only labeled source data and unlabeled target data. We propose Average Thresholded Confidence (ATC), a practical method that learns a threshold on the model's confidence, predicting accuracy as the fraction of unlabeled examples for which model confidence exceeds that threshold. ATC outperforms previous methods across several model architectures, types of distribution shifts (e.g., due to synthetic corruptions, dataset reproduction, or novel subpopulations), and datasets (Wilds, ImageNet, Breeds, CIFAR, and MNIST). In our experiments, ATC estimates target performance 2-4times more accurately than prior methods. We also explore the theoretical foundations of the problem, proving that, in general, identifying the accuracy is just as hard as identifying the optimal predictor and thus, the efficacy of any method rests upon (perhaps unstated) assumptions on the nature of the shift. Finally, analyzing our method on some toy distributions, we provide insights concerning when it works. Code is available at https://github.com/saurabhgarg1996/ATC_code/.

Pre-trained language models (PLMs) have become a prevalent technique in deep learning for code, utilizing a two-stage pre-training and fine-tuning procedure to acquire general knowledge about code and specialize in a variety of downstream tasks. However, the dynamic nature of software codebases poses a challenge to the effectiveness and robustness of PLMs. In particular, world-realistic scenarios potentially lead to significant differences between the distribution of the pre-training and test data, i.e., distribution shift, resulting in a degradation of the PLM's performance on downstream tasks. In this paper, we stress the need for adapting PLMs of code to software data whose distribution changes over time, a crucial problem that has been overlooked in previous works. The motivation of this work is to consider the PLM in a non-stationary environment, where fine-tuning data evolves over time according to a software evolution scenario. Specifically, we design a scenario where the model needs to learn from a stream of programs containing new, unseen APIs over time. We study two widely used PLM architectures, i.e., a GPT2 decoder and a RoBERTa encoder, on two downstream tasks, API call and API usage prediction. We demonstrate that the most commonly used fine-tuning technique from prior work is not robust enough to handle the dynamic nature of APIs, leading to the loss of previously acquired knowledge i.e., catastrophic forgetting. To address these issues, we implement five continual learning approaches, including replay-based and regularization-based methods. Our findings demonstrate that utilizing these straightforward methods effectively mitigates catastrophic forgetting in PLMs across both downstream tasks while achieving comparable or superior performance.

Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k-Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation.

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

Large vision-language models have achieved outstanding performance, but their size and computational requirements make their deployment on resource-constrained devices and time-sensitive tasks impractical. Model distillation, the process of creating smaller, faster models that maintain the performance of larger models, is a promising direction towards the solution. This paper investigates the distillation of visual representations in large teacher vision-language models into lightweight student models using a small- or mid-scale dataset. Notably, this study focuses on open-vocabulary out-of-distribution (OOD) generalization, a challenging problem that has been overlooked in previous model distillation literature. We propose two principles from vision and language modality perspectives to enhance student's OOD generalization: (1) by better imitating teacher's visual representation space, and carefully promoting better coherence in vision-language alignment with the teacher; (2) by enriching the teacher's language representations with informative and finegrained semantic attributes to effectively distinguish between different labels. We propose several metrics and conduct extensive experiments to investigate their techniques. The results demonstrate significant improvements in zero-shot and few-shot student performance on open-vocabulary out-of-distribution classification, highlighting the effectiveness of our proposed approaches. Code released at https://github.com/xuanlinli17/large_vlm_distillation_ood

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

Out-of-distribution (OOD) detection 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.

Large language model (LLM) performance on reasoning problems typically does not generalize out of distribution. Previous work has claimed that this can be mitigated by modifying prompts to include examples with chains of thought--demonstrations of solution procedures--with the intuition that it is possible to in-context teach an LLM an algorithm for solving the problem. This paper presents a case study of chain of thought on problems from Blocksworld, a classical planning domain, and examine the performance of two state-of-the-art LLMs across two axes: generality of examples given in prompt, and complexity of problems queried with each prompt. While our problems are very simple, we only find meaningful performance improvements from chain of thought prompts when those prompts are exceedingly specific to their problem class, and that those improvements quickly deteriorate as the size n of the query-specified stack grows past the size of stacks shown in the examples. Our results hint that, contrary to previous claims in the literature, CoT's performance improvements do not stem from the model learning general algorithmic procedures via demonstrations and depend on carefully engineering highly problem specific prompts. This spotlights drawbacks of chain of thought, especially because of the sharp tradeoff between possible performance gains and the amount of human labor necessary to generate examples with correct reasoning traces.

Practical object detection application can lose its effectiveness on image inputs with natural distribution shifts. This problem leads the research community to pay more attention on the robustness of detectors under Out-Of-Distribution (OOD) inputs. Existing works construct datasets to benchmark the detector's OOD robustness for a specific application scenario, e.g., Autonomous Driving. However, these datasets lack universality and are hard to benchmark general detectors built on common tasks such as COCO. To give a more comprehensive robustness assessment, we introduce COCO-O(ut-of-distribution), a test dataset based on COCO with 6 types of natural distribution shifts. COCO-O has a large distribution gap with training data and results in a significant 55.7% relative performance drop on a Faster R-CNN detector. We leverage COCO-O to conduct experiments on more than 100 modern object detectors to investigate if their improvements are credible or just over-fitting to the COCO test set. Unfortunately, most classic detectors in early years do not exhibit strong OOD generalization. We further study the robustness effect on recent breakthroughs of detector's architecture design, augmentation and pre-training techniques. Some empirical findings are revealed: 1) Compared with detection head or neck, backbone is the most important part for robustness; 2) An end-to-end detection transformer design brings no enhancement, and may even reduce robustness; 3) Large-scale foundation models have made a great leap on robust object detection. We hope our COCO-O could provide a rich testbed for robustness study of object detection. The dataset will be available at https://github.com/alibaba/easyrobust/tree/main/benchmarks/coco_o.

Since the proliferation of LLMs, there have been concerns about their misuse for harmful content creation and spreading. Recent studies justify such fears, providing evidence of LLM vulnerabilities and high potential of their misuse. Humans are no longer able to distinguish between high-quality machine-generated and authentic human-written texts. Therefore, it is crucial to develop automated means to accurately detect machine-generated content. It would enable to identify such content in online information space, thus providing an additional information about its credibility. This work addresses the problem by proposing a robust fine-tuning process of LLMs for the detection task, making the detectors more robust against obfuscation and more generalizable to out-of-distribution data.

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

The development of generative language models that can create long and coherent textual outputs via autoregression has lead to a proliferation of uses and a corresponding sweep of analyses as researches work to determine the limitations of this new paradigm. Unlike humans, these 'Large Language Models' (LLMs) are highly sensitive to small changes in their inputs, leading to unwanted inconsistency in their behavior. One problematic inconsistency when LLMs are used to answer multiple-choice questions or analyze multiple inputs is order dependency: the output of an LLM can (and often does) change significantly when sub-sequences are swapped, despite both orderings being semantically identical. In this paper we present , a technique that guarantees the output of an LLM will not have order dependence on a specified set of sub-sequences. We show that this method provably eliminates order dependency, and that it can be applied to any transformer-based LLM to enable text generation that is unaffected by re-orderings. Delving into the implications of our method, we show that, despite our inputs being out of distribution, the impact on expected accuracy is small, where the expectation is over the order of uniformly chosen shuffling of the candidate responses, and usually significantly less in practice. Thus, can be used as a 'dropped-in' method on fully trained models. Finally, we discuss how our method's success suggests that other strong guarantees can be obtained on LLM performance via modifying the input representations.

Collecting high-quality preference datasets for reinforcement learning from human feedback (RLHF) is resource-intensive and challenging. As a result, researchers often train reward models on extensive offline datasets which aggregate diverse generation sources and scoring/alignment policies. We hypothesize that this aggregation has an averaging effect on reward model scores, which limits signal and impairs the alignment process. Inspired by the field of inverse RL, we define the 'inverse alignment problem' in language model training, where our objective is to optimize the critic's reward for a fixed actor and a fixed offline preference dataset. We hypothesize that solving the inverse alignment problem will improve reward model quality by providing clearer feedback on the policy's current behavior. To that end, we investigate whether repeatedly fine-tuning a reward model on subsets of the offline preference dataset aligned with a periodically frozen policy during RLHF improves upon vanilla RLHF. Our empirical results demonstrate that this approach facilitates superior alignment and faster convergence compared to using an unaligned or out-of-distribution reward model relative to the LLM policy.

What if artificial intelligence could not only solve problems for which it was trained but also learn to teach itself to solve new problems (i.e., meta-learn)? In this study, we demonstrate that a pre-trained transformer fine-tuned with reinforcement learning over multiple episodes develops the ability to solve problems that it has never encountered before - an emergent ability called In-Context Reinforcement Learning (ICRL). This powerful meta-learner not only excels in solving unseen in-distribution environments with remarkable sample efficiency, but also shows strong performance in out-of-distribution environments. In addition, we show that it exhibits robustness to the quality of its training data, seamlessly stitches together behaviors from its context, and adapts to non-stationary environments. These behaviors demonstrate that an RL-trained transformer can iteratively improve upon its own solutions, making it an excellent general-purpose problem solver.

Transformers have impressive generalization capabilities on tasks with a fixed context length. However, they fail to generalize to sequences of arbitrary length, even for seemingly simple tasks such as duplicating a string. Moreover, simply training on longer sequences is inefficient due to the quadratic computation complexity of the global attention mechanism. In this work, we demonstrate that this failure mode is linked to positional encodings being out-of-distribution for longer sequences (even for relative encodings) and introduce a novel family of positional encodings that can overcome this problem. Concretely, our randomized positional encoding scheme simulates the positions of longer sequences and randomly selects an ordered subset to fit the sequence's length. Our large-scale empirical evaluation of 6000 models across 15 algorithmic reasoning tasks shows that our method allows Transformers to generalize to sequences of unseen length (increasing test accuracy by 12.0% on average).

Modern AI systems, especially those interacting with the physical world, increasingly require real-time performance. However, the high latency of state-of-the-art generalist models, including recent vision-language action models (VLAs), poses a significant challenge. While action chunking has enabled temporal consistency in high-frequency control tasks, it does not fully address the latency problem, leading to pauses or out-of-distribution jerky movements at chunk boundaries. This paper presents a novel inference-time algorithm that enables smooth asynchronous execution of action chunking policies. Our method, real-time chunking (RTC), is applicable to any diffusion- or flow-based VLA out of the box with no re-training. It generates the next action chunk while executing the current one, "freezing" actions guaranteed to execute and "inpainting" the rest. To test RTC, we introduce a new benchmark of 12 highly dynamic tasks in the Kinetix simulator, as well as evaluate 6 challenging real-world bimanual manipulation tasks. Results demonstrate that RTC is fast, performant, and uniquely robust to inference delay, significantly improving task throughput and enabling high success rates in precise tasks x2013 such as lighting a match x2013 even in the presence of significant latency. See https://pi.website/research/real_time_chunking for videos.

Recent significant advances in text-to-image models unlock the possibility of training vision systems using synthetic images, potentially overcoming the difficulty of collecting curated data at scale. It is unclear, however, how these models behave at scale, as more synthetic data is added to the training set. In this paper we study the scaling laws of synthetic images generated by state of the art text-to-image models, for the training of supervised models: image classifiers with label supervision, and CLIP with language supervision. We identify several factors, including text prompts, classifier-free guidance scale, and types of text-to-image models, that significantly affect scaling behavior. After tuning these factors, we observe that synthetic images demonstrate a scaling trend similar to, but slightly less effective than, real images in CLIP training, while they significantly underperform in scaling when training supervised image classifiers. Our analysis indicates that the main reason for this underperformance is the inability of off-the-shelf text-to-image models to generate certain concepts, a limitation that significantly impairs the training of image classifiers. Our findings also suggest that scaling synthetic data can be particularly effective in scenarios such as: (1) when there is a limited supply of real images for a supervised problem (e.g., fewer than 0.5 million images in ImageNet), (2) when the evaluation dataset diverges significantly from the training data, indicating the out-of-distribution scenario, or (3) when synthetic data is used in conjunction with real images, as demonstrated in the training of CLIP models.

While deep learning has enjoyed significant success in computer vision tasks over the past decade, many shortcomings still exist from a Cognitive Science (CogSci) perspective. In particular, the ability to subitize, i.e., quickly and accurately identify the small (less than 6) count of items, is not well learned by current Convolutional Neural Networks (CNNs) or Vision Transformers (ViTs) when using a standard cross-entropy (CE) loss. In this paper, we demonstrate that adapting tools used in CogSci research can improve the subitizing generalization of CNNs and ViTs by developing an alternative loss function using Holographic Reduced Representations (HRRs). We investigate how this neuro-symbolic approach to learning affects the subitizing capability of CNNs and ViTs, and so we focus on specially crafted problems that isolate generalization to specific aspects of subitizing. Via saliency maps and out-of-distribution performance, we are able to empirically observe that the proposed HRR loss improves subitizing generalization though it does not completely solve the problem. In addition, we find that ViTs perform considerably worse compared to CNNs in most respects on subitizing, except on one axis where an HRR-based loss provides improvement.

Within the context of autonomous driving, encountering unknown objects becomes inevitable during deployment in the open world. Therefore, it is crucial to equip standard semantic segmentation models with anomaly awareness. Many previous approaches have utilized synthetic out-of-distribution (OoD) data augmentation to tackle this problem. In this work, we advance the OoD synthesis process by reducing the domain gap between the OoD data and driving scenes, effectively mitigating the style difference that might otherwise act as an obvious shortcut during training. Additionally, we propose a simple fine-tuning loss that effectively induces a pre-trained semantic segmentation model to generate a ``none of the given classes" prediction, leveraging per-pixel OoD scores for anomaly segmentation. With minimal fine-tuning effort, our pipeline enables the use of pre-trained models for anomaly segmentation while maintaining the performance on the original task.

Reconstructing 3D from a single view image is a long-standing challenge. One of the popular approaches to tackle this problem is learning-based methods, but dealing with the test cases unfamiliar with training data (Out-of-distribution; OoD) introduces an additional challenge. To adapt for unseen samples in test time, we propose MeTTA, a test-time adaptation (TTA) exploiting generative prior. We design joint optimization of 3D geometry, appearance, and pose to handle OoD cases with only a single view image. However, the alignment between the reference image and the 3D shape via the estimated viewpoint could be erroneous, which leads to ambiguity. To address this ambiguity, we carefully design learnable virtual cameras and their self-calibration. In our experiments, we demonstrate that MeTTA effectively deals with OoD scenarios at failure cases of existing learning-based 3D reconstruction models and enables obtaining a realistic appearance with physically based rendering (PBR) textures.

The ability to extrapolate from short problem instances to longer ones is an important form of out-of-distribution generalization in reasoning tasks, and is crucial when learning from datasets where longer problem instances are rare. These include theorem proving, solving quantitative mathematics problems, and reading/summarizing novels. In this paper, we run careful empirical studies exploring the length generalization capabilities of transformer-based language models. We first establish that naively finetuning transformers on length generalization tasks shows significant generalization deficiencies independent of model scale. We then show that combining pretrained large language models' in-context learning abilities with scratchpad prompting (asking the model to output solution steps before producing an answer) results in a dramatic improvement in length generalization. We run careful failure analyses on each of the learning modalities and identify common sources of mistakes that highlight opportunities in equipping language models with the ability to generalize to longer problems.

Large Language Model (LLM) agents show great promise for complex, multi-turn tool-use tasks, but their development is often hampered by the extreme scarcity of high-quality training data. Supervised fine-tuning (SFT) on synthetic data leads to overfitting, whereas standard reinforcement learning (RL) struggles with a critical cold-start problem and training instability. To address these challenges, we introduce Environment Tuning, a novel training paradigm that enables agents to learn complex behaviors directly from problem instances without relying on pre-collected expert trajectories. Environment Tuning orchestrates this learning process through a structured curriculum, actionable environment augmentation that provides corrective feedback, and fine-grained progress rewards to ensure stable and efficient exploration. Using only 400 problem instances from Berkeley Function-Calling Leaderboard (BFCL) benchmark, our method not only achieves competitive in-distribution performance against strong baselines but also demonstrates superior out-of-distribution generalization, overcoming the performance collapse common to SFT-based approaches. Our work presents a paradigm shift from supervised fine-tuning on static trajectories to dynamic, environment-based exploration, paving the way for training more robust and data-efficient agents.

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying the severe degeneration is that the GNNs are architected predicated upon the I.I.D assumptions. In such a setting, GNNs are inclined to leverage imperceptible statistical correlations subsisting in the training set to predict, albeit it is a spurious correlation. In this paper, we study the problem of the generalization ability of GNNs in Out-Of-Distribution (OOD) settings. To solve this problem, we propose the Learning to Reweight for Generalizable Graph Neural Network (L2R-GNN) to enhance the generalization ability for achieving satisfactory performance on unseen testing graphs that have different distributions with training graphs. We propose a novel nonlinear graph decorrelation method, which can substantially improve the out-of-distribution generalization ability and compares favorably to previous methods in restraining the over-reduced sample size. The variables of the graph representation are clustered based on the stability of the correlation, and the graph decorrelation method learns weights to remove correlations between the variables of different clusters rather than any two variables. Besides, we interpose an efficacious stochastic algorithm upon bi-level optimization for the L2R-GNN framework, which facilitates simultaneously learning the optimal weights and GNN parameters, and avoids the overfitting problem. Experimental results show that L2R-GNN greatly outperforms baselines on various graph prediction benchmarks under distribution shifts.

In recent years, there have been remarkable advancements in the performance of Transformer-based Large Language Models (LLMs) across various domains. As these LLMs are deployed for increasingly complex tasks, they often face the needs to conduct longer reasoning processes or understanding larger contexts. In these situations, the length generalization failure of LLMs on long sequences become more prominent. Most pre-training schemes truncate training sequences to a fixed length (such as 2048 for LLaMa). LLMs often struggle to generate fluent texts, let alone carry out downstream tasks, after longer contexts, even with relative positional encoding which is designed to cope with this problem. Common solutions such as finetuning on longer corpora often involves daunting hardware and time costs and requires careful training process design. To more efficiently leverage the generation capacity of existing LLMs, we theoretically and empirically investigate the main out-of-distribution (OOD) factors contributing to this problem. Inspired by this diagnosis, we propose a simple yet effective solution for on-the-fly length generalization, LM-Infinite, which involves only a Lambda-shaped attention mask and a distance limit while requiring no parameter updates or learning. We find it applicable to a variety of LLMs using relative-position encoding methods. LM-Infinite is computational efficient with O(n) time and space, and demonstrates consistent fluency and generation quality to as long as 32k tokens on ArXiv and OpenWebText2 datasets, with 2.72x decoding speedup. On downstream task such as passkey retrieval, it continues to work on inputs much longer than training lengths where vanilla models fail immediately.

Federated learning (FL) has been a promising approach in the field of medical imaging in recent years. A critical problem in FL, specifically in medical scenarios is to have a more accurate shared model which is robust to noisy and out-of distribution clients. In this work, we tackle the problem of statistical heterogeneity in data for FL which is highly plausible in medical data where for example the data comes from different sites with different scanner settings. We propose IDA (Inverse Distance Aggregation), a novel adaptive weighting approach for clients based on meta-information which handles unbalanced and non-iid data. We extensively analyze and evaluate our method against the well-known FL approach, Federated Averaging as a baseline.

End-to-end reinforcement learning on images showed significant progress in the recent years. Data-based approach leverage data augmentation and domain randomization while representation learning methods use auxiliary losses to learn task-relevant features. Yet, reinforcement still struggles in visually diverse environments full of distractions and spurious noise. In this work, we tackle the problem of robust visual control at its core and present VIBR (View-Invariant Bellman Residuals), a method that combines multi-view training and invariant prediction to reduce out-of-distribution (OOD) generalization gap for RL based visuomotor control. Our model-free approach improve baselines performances without the need of additional representation learning objectives and with limited additional computational cost. We show that VIBR outperforms existing methods on complex visuo-motor control environment with high visual perturbation. Our approach achieves state-of the-art results on the Distracting Control Suite benchmark, a challenging benchmark still not solved by current methods, where we evaluate the robustness to a number of visual perturbators, as well as OOD generalization and extrapolation capabilities.

LongRoPE2 is a novel approach that extends the effective context window of pre-trained large language models (LLMs) to the target length, while preserving the performance on the original shorter context window. This is achieved by three contributions: (1) a hypothesis that insufficient training in higher RoPE dimensions contributes to the persistent out-of-distribution (OOD) issues observed in existing methods; (2) an effective RoPE rescaling algorithm that adopts evolutionary search guided by "needle-driven" perplexity to address the insufficient training problem; (3) a mixed context window training approach that fine-tunes model weights to adopt rescaled RoPE for long-context sequences while preserving the short-context performance with the original RoPE. Extensive experiments on LLaMA3-8B and Phi3-mini-3.8B across various benchmarks validate the hypothesis and demonstrate the effectiveness of LongRoPE2. Remarkably, LongRoPE2 extends LLaMA3-8B to achieve a 128K effective context length while retaining over 98.5% of short-context performance, using only 10B tokens -- 80x fewer than Meta's approach, which fails to reach the target effective context length. Code will be available at https://github.com/microsoft/LongRoPE.

Domain generalization (DG) aims to learn a robust model from source domains that generalize well on unseen target domains. Recent studies focus on generating novel domain samples or features to diversify distributions complementary to source domains. Yet, these approaches can hardly deal with the restriction that the samples synthesized from various domains can cause semantic distortion. In this paper, we propose an online one-stage Cross Contrasting Feature Perturbation (CCFP) framework to simulate domain shift by generating perturbed features in the latent space while regularizing the model prediction against domain shift. Different from the previous fixed synthesizing strategy, we design modules with learnable feature perturbations and semantic consistency constraints. In contrast to prior work, our method does not use any generative-based models or domain labels. We conduct extensive experiments on a standard DomainBed benchmark with a strict evaluation protocol for a fair comparison. Comprehensive experiments show that our method outperforms the previous state-of-the-art, and quantitative analyses illustrate that our approach can alleviate the domain shift problem in out-of-distribution (OOD) scenarios.

Reinforcement Learning from Human Feedback (RLHF) has been a crucial component in the recent success of Large Language Models. However, RLHF is know to exploit biases in human preferences, such as verbosity. A well-formatted and eloquent answer is often more highly rated by users, even when it is less helpful and objective. A number of approaches have been developed to control those biases in the classical RLHF literature, but the problem remains relatively under-explored for Direct Alignment Algorithms such as Direct Preference Optimization (DPO). Unlike classical RLHF, DPO does not train a separate reward model or use reinforcement learning directly, so previous approaches developed to control verbosity cannot be directly applied to this setting. Our work makes several contributions. For the first time, we study the length problem in the DPO setting, showing significant exploitation in DPO and linking it to out-of-distribution bootstrapping. We then develop a principled but simple regularization strategy that prevents length exploitation, while still maintaining improvements in model quality. We demonstrate these effects across datasets on summarization and dialogue, where we achieve up to 20\% improvement in win rates when controlling for length, despite the GPT4 judge's well-known verbosity bias.

Both online and offline RLHF methods such as PPO and DPO have been extremely successful in aligning AI with human preferences. Despite their success, the existing methods suffer from a fundamental problem that their optimal solution is highly task-dependent (i.e., not robust to out-of-distribution (OOD) tasks). Here we address this challenge by proposing Self-Improving Robust Preference Optimization SRPO, a practical and mathematically principled offline RLHF framework that is completely robust to the changes in the task. The key idea of SRPO is to cast the problem of learning from human preferences as a self-improvement process, which can be mathematically expressed in terms of a min-max objective that aims at joint optimization of self-improvement policy and the generative policy in an adversarial fashion. The solution for this optimization problem is independent of the training task and thus it is robust to its changes. We then show that this objective can be re-expressed in the form of a non-adversarial offline loss which can be optimized using standard supervised optimization techniques at scale without any need for reward model and online inference. We show the effectiveness of SRPO in terms of AI Win-Rate (WR) against human (GOLD) completions. In particular, when SRPO is evaluated on the OOD XSUM dataset, it outperforms the celebrated DPO by a clear margin of 15% after 5 self-revisions, achieving WR of 90%.

Generative models have had a profound impact on vision and language, paving the way for a new era of multimodal generative applications. While these successes have inspired researchers to explore using generative models in science and engineering to accelerate the design process and reduce the reliance on iterative optimization, challenges remain. Specifically, engineering optimization methods based on physics still outperform generative models when dealing with constrained environments where data is scarce and precision is paramount. To address these challenges, we introduce Diffusion Optimization Models (DOM) and Trajectory Alignment (TA), a learning framework that demonstrates the efficacy of aligning the sampling trajectory of diffusion models with the optimization trajectory derived from traditional physics-based methods. This alignment ensures that the sampling process remains grounded in the underlying physical principles. Our method allows for generating feasible and high-performance designs in as few as two steps without the need for expensive preprocessing, external surrogate models, or additional labeled data. We apply our framework to structural topology optimization, a fundamental problem in mechanical design, evaluating its performance on in- and out-of-distribution configurations. Our results demonstrate that TA outperforms state-of-the-art deep generative models on in-distribution configurations and halves the inference computational cost. When coupled with a few steps of optimization, it also improves manufacturability for out-of-distribution conditions. By significantly improving performance and inference efficiency, DOM enables us to generate high-quality designs in just a few steps and guide them toward regions of high performance and manufacturability, paving the way for the widespread application of generative models in large-scale data-driven design.

Large language models (LLMs) have shown strong reasoning and coding capabilities, yet they struggle to generalize to real-world software engineering (SWE) problems that are long-horizon and out of distribution. Existing systems often rely on a single agent to handle the entire workflow-interpreting issues, navigating large codebases, and implementing fixes-within one reasoning chain. Such monolithic designs force the model to retain irrelevant context, leading to spurious correlations and poor generalization. Motivated by how human engineers decompose complex problems, we propose structuring SWE agents as orchestrators coordinating specialized sub-agents for sub-tasks such as localization, editing, and validation. The challenge lies in discovering effective hierarchies automatically: as the number of sub-agents grows, the search space becomes combinatorial, and it is difficult to attribute credit to individual sub-agents within a team. We address these challenges by formulating hierarchy discovery as a multi-armed bandit (MAB) problem, where each arm represents a candidate sub-agent and the reward measures its helpfulness when collaborating with others. This framework, termed Bandit Optimization for Agent Design (BOAD), enables efficient exploration of sub-agent designs under limited evaluation budgets. On SWE-bench-Verified, BOAD outperforms single-agent and manually designed multi-agent systems. On SWE-bench-Live, featuring more recent and out-of-distribution issues, our 36B system ranks second on the leaderboard at the time of evaluation, surpassing larger models such as GPT-4 and Claude. These results demonstrate that automatically discovered hierarchical multi-agent systems significantly improve generalization on challenging long-horizon SWE tasks. Code is available at https://github.com/iamxjy/BOAD-SWE-Agent.

Modern deepfake detectors have achieved encouraging results, when training and test images are drawn from the same collection. However, when applying these detectors to faces manipulated using an unknown technique, considerable performance drops are typically observed. In this work, we propose a novel deepfake detector, called SeeABLE, that formalizes the detection problem as a (one-class) out-of-distribution detection task and generalizes better to unseen deepfakes. Specifically, SeeABLE uses a novel data augmentation strategy to synthesize fine-grained local image anomalies (referred to as soft-discrepancies) and pushes those pristine disrupted faces towards predefined prototypes using a novel regression-based bounded contrastive loss. To strengthen the generalization performance of SeeABLE to unknown deepfake types, we generate a rich set of soft discrepancies and train the detector: (i) to localize, which part of the face was modified, and (ii) to identify the alteration type. Using extensive experiments on widely used datasets, SeeABLE considerably outperforms existing detectors, with gains of up to +10\% on the DFDC-preview dataset in term of detection accuracy over SoTA methods while using a simpler model. Code will be made publicly available.

Query routing, the task to route user queries to different large language model (LLM) endpoints, can be considered as a text classification problem. However, out-of-distribution queries must be handled properly, as those could be about unrelated domains, queries in other languages, or even contain unsafe text. Here, we thus study a guarded query routing problem, for which we first introduce the Guarded Query Routing Benchmark (GQR-Bench, released as Python package gqr), covers three exemplary target domains (law, finance, and healthcare), and seven datasets to test robustness against out-of-distribution queries. We then use GQR-Bench to contrast the effectiveness and efficiency of LLM-based routing mechanisms (GPT-4o-mini, Llama-3.2-3B, and Llama-3.1-8B), standard LLM-based guardrail approaches (LlamaGuard and NVIDIA NeMo Guardrails), continuous bag-of-words classifiers (WideMLP, fastText), and traditional machine learning models (SVM, XGBoost). Our results show that WideMLP, enhanced with out-of-domain detection capabilities, yields the best trade-off between accuracy (88%) and speed (<4ms). The embedding-based fastText excels at speed (<1ms) with acceptable accuracy (80%), whereas LLMs yield the highest accuracy (91%) but are comparatively slow (62ms for local Llama-3.1:8B and 669ms for remote GPT-4o-mini calls). Our findings challenge the automatic reliance on LLMs for (guarded) query routing and provide concrete recommendations for practical applications. Source code is available: https://github.com/williambrach/gqr.

We propose a novel framework for incorporating unlabeled data into semi-supervised classification problems, where scenarios involving the minimization of either i) adversarially robust or ii) non-robust loss functions have been considered. Notably, we allow the unlabeled samples to deviate slightly (in total variation sense) from the in-domain distribution. The core idea behind our framework is to combine Distributionally Robust Optimization (DRO) with self-supervised training. As a result, we also leverage efficient polynomial-time algorithms for the training stage. From a theoretical standpoint, we apply our framework on the classification problem of a mixture of two Gaussians in R^d, where in addition to the m independent and labeled samples from the true distribution, a set of n (usually with ngg m) out of domain and unlabeled samples are given as well. Using only the labeled data, it is known that the generalization error can be bounded by proptoleft(d/mright)^{1/2}. However, using our method on both isotropic and non-isotropic Gaussian mixture models, one can derive a new set of analytically explicit and non-asymptotic bounds which show substantial improvement on the generalization error compared to ERM. Our results underscore two significant insights: 1) out-of-domain samples, even when unlabeled, can be harnessed to narrow the generalization gap, provided that the true data distribution adheres to a form of the ``cluster assumption", and 2) the semi-supervised learning paradigm can be regarded as a special case of our framework when there are no distributional shifts. We validate our claims through experiments conducted on a variety of synthetic and real-world datasets.

3D Gaussian Splatting (3DGS) has recently attracted wide attentions in various areas such as 3D navigation, Virtual Reality (VR) and 3D simulation, due to its photorealistic and efficient rendering performance. High-quality reconstrution of 3DGS relies on sufficient splats and a reasonable distribution of these splats to fit real geometric surface and texture details, which turns out to be a challenging problem. We present GeoTexDensifier, a novel geometry-texture-aware densification strategy to reconstruct high-quality Gaussian splats which better comply with the geometric structure and texture richness of the scene. Specifically, our GeoTexDensifier framework carries out an auxiliary texture-aware densification method to produce a denser distribution of splats in fully textured areas, while keeping sparsity in low-texture regions to maintain the quality of Gaussian point cloud. Meanwhile, a geometry-aware splitting strategy takes depth and normal priors to guide the splitting sampling and filter out the noisy splats whose initial positions are far from the actual geometric surfaces they aim to fit, under a Validation of Depth Ratio Change checking. With the help of relative monocular depth prior, such geometry-aware validation can effectively reduce the influence of scattered Gaussians to the final rendering quality, especially in regions with weak textures or without sufficient training views. The texture-aware densification and geometry-aware splitting strategies are fully combined to obtain a set of high-quality Gaussian splats. We experiment our GeoTexDensifier framework on various datasets and compare our Novel View Synthesis results to other state-of-the-art 3DGS approaches, with detailed quantitative and qualitative evaluations to demonstrate the effectiveness of our method in producing more photorealistic 3DGS models.

Multivariate probabilistic time series forecasts are commonly evaluated via proper scoring rules, i.e., functions that are minimal in expectation for the ground-truth distribution. However, this property is not sufficient to guarantee good discrimination in the non-asymptotic regime. In this paper, we provide the first systematic finite-sample study of proper scoring rules for time-series forecasting evaluation. Through a power analysis, we identify the "region of reliability" of a scoring rule, i.e., the set of practical conditions where it can be relied on to identify forecasting errors. We carry out our analysis on a comprehensive synthetic benchmark, specifically designed to test several key discrepancies between ground-truth and forecast distributions, and we gauge the generalizability of our findings to real-world tasks with an application to an electricity production problem. Our results reveal critical shortcomings in the evaluation of multivariate probabilistic forecasts as commonly performed in the literature.

Writing competitive programming problems is exacting. Authors must: set constraints, input distributions, and edge cases that rule out shortcuts; target specific algorithms (e.g., max-flow, dynamic programming, data structures); and calibrate complexity beyond the reach of most competitors. We argue that this makes for an ideal test of general large language model capabilities and study whether they can do this reliably. We introduce AutoCode, which uses multiple rounds of validation to yield competition-grade problem statements and test cases. On held-out problems, AutoCode test suites approach 99% consistency with official judgments, a significant improvement over current state-of-the-art methods like HardTests, which achieve less than 81%. Furthermore, starting with a random seed problem, AutoCode can create novel variants with reference and brute-force solutions. By cross-verifying these generated solutions against test cases, we can further filter out malformed problems. Our system ensures high correctness, as verified by human experts. AutoCode successfully produces novel problems judged by Grandmaster-level (top 0.3%) competitive programmers to be of contest quality.

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

Out-of-distribution (OOD) detection 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.

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.

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.

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/

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.

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

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.

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.

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.

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.

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.

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 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.

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

Out-of-distribution (OOD) detection is 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.

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.

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

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.

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

Out-of-Distribution (OOD) detection 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.

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.

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.

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.

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

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.

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

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.

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.

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

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.

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

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}.

Large language models (LLMs) such as GPT-4 sometimes appear to be creative, solving novel tasks often with a few demonstrations in the prompt. These tasks require the models to generalize on distributions different from those from training data -- which is known as out-of-distribution (OOD) generalization. Despite the tremendous success of LLMs, how they approach OOD generalization remains an open and underexplored question. We examine OOD generalization in settings where instances are generated according to hidden rules, including in-context learning with symbolic reasoning. Models are required to infer the hidden rules behind input prompts without any fine-tuning. We empirically examined the training dynamics of Transformers on a synthetic example and conducted extensive experiments on a variety of pretrained LLMs, focusing on a type of components known as induction heads. We found that OOD generalization and composition are tied together -- models can learn rules by composing two self-attention layers, thereby achieving OOD generalization. Furthermore, a shared latent subspace in the embedding (or feature) space acts as a bridge for composition by aligning early layers and later layers, which we refer to as the common bridge representation hypothesis.

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

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

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

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

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.

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.

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

Out-of-distribution (OOD) 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.