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Uncertainty Estimation on Graphs with Structure Informed Stochastic Partial Differential Equations

Neural Information Processing Systems

Graph Neural Networks (GNNs) have achieved impressive results across diverse network modeling tasks, but accurately estimating uncertainty on graphs remains difficult--especially under distributional shifts. Unlike traditional uncertainty estimation, graph-based uncertainty must account for randomness arising from both the graph's structure and its label distribution, which adds complexity. In this paper, making an analogy between the evolution of a stochastic partial differential equation (SPDE) driven by Matรฉrn Gaussian Process and message passing using GNN layers, we present a principled way to design a novel message passing scheme that incorporates spatial-temporal noises motivated by the Gaussian Process approach to SPDE. Our method simultaneously captures uncertainty across space and time and allows explicit control over the covariance kernel's smoothness, thereby enhancing uncertainty estimates on graphs with both low and high label informativeness. Our extensive experiments on Out-of-Distribution (OOD) detection on graph datasets with varying label informativeness demonstrate the soundness and superiority of our model to existing approaches.


DIsoN: Decentralized Isolation Networks for Out-of-Distribution Detection in Medical Imaging

Neural Information Processing Systems

Safe deployment of machine learning (ML) models in safety-critical domains such as medical imaging requires detecting inputs with characteristics not seen during training, known as out-of-distribution (OOD) detection, to prevent unreliable predictions. Effective OOD detection after deployment could benefit from access to the training data, enabling direct comparison between test samples and the training data distribution to identify differences. State-of-the-art OOD detection methods, however, either discard the training data after deployment or assume that test samples and training data are centrally stored together, an assumption that rarely holds in real-world settings. This is because shipping the training data with the deployed model is usually impossible due to the size of training databases, as well as proprietary or privacy constraints. We introduce the Isolation Network, an OOD detection framework that quantifies the difficulty of separating a target test sample from the training data by solving a binary classification task.


DualCnst: Enhancing Zero-Shot Out-of-Distribution Detection via Text-Image Consistency in Vision-Language Models

Neural Information Processing Systems

Pretrained vision-language models (VLMs), such as CLIP, have shown promising zero-shot out-of-distribution (OOD) detection capabilities by leveraging semantic similarities between input images and textual labels. However, most existing approaches focus solely on expanding the label space in the text domain, ignoring complementary visual cues that can further enhance discriminative power. In this paper, we introduce DualCnst, a novel framework that integrates text-image dual consistency for improved zero-shot OOD detection. Specifically, we generate synthetic images from both ID and mined OOD textual labels using a text-to-image generative model, and jointly evaluate each test image based on (i) its semantic similarity to class labels and (ii) its visual similarity to the synthesized images. The resulting unified score function effectively combines multimodal information without requiring access to in-distribution images or additional training. We further provide theoretical analysis showing that incorporating multimodal negative labels reduces score variance and improves OOD separability. Extensive experiments across diverse OOD benchmarks demonstrate that DualCnst achieves state-of-theart performance while remaining scalable, data-agnostic, and fully compatible with prior text-only VLM-based methods. The code is publicly available at: https: //github.com/TMLSIAT/DualCnst.


OOD-Barrier: Build a Middle-Barrier for Open-Set Single-Image Test Time Adaptation via Vision Language Models

Neural Information Processing Systems

In real-world environments, a well-designed model must be capable of handling dynamically evolving distributions, where both in-distribution (ID) and out-ofdistribution (OOD) samples appear unpredictably and individually, making realtime adaptation particularly challenging. While open-set test-time adaptation has demonstrated effectiveness in adjusting to distribution shifts, existing methods often rely on batch processing and struggle to manage single-sample data stream in open-set environments.


Spurious-Aware Prototype Refinement for Reliable Out-of-Distribution Detection

Neural Information Processing Systems

Out-of-distribution (OOD) detection is crucial for ensuring the reliability and safety of machine learning models in real-world applications, where they frequently face data distributions unseen during training. Despite progress, existing methods are often vulnerable to spurious correlations that mislead models and compromise robustness. To address this, we propose SPROD, a novel prototype-based OOD detection approach that explicitly addresses the challenge posed by unknown spurious correlations. Our post-hoc method refines class prototypes to mitigate bias from spurious features without additional data or hyperparameter tuning, and is broadly applicable across diverse backbones and OOD detection settings. We conduct a comprehensive spurious correlation OOD detection benchmarking, comparing our method against existing approaches and demonstrating its superior performance across challenging OOD datasets, such as CelebA, Waterbirds, UrbanCars, Spurious Imagenet, and the newly introduced Animals MetaCoCo. On average, SPROD improves AUROC by 4.8% and FPR@95 by 9.4% over the second best.


GOOD: Training-Free Guided Diffusion Sampling for Out-of-Distribution Detection

Neural Information Processing Systems

Recent advancements have explored text-to-image diffusion models for synthesizing out-of-distribution (OOD) samples, substantially enhancing the performance of OOD detection. However, existing approaches typically rely on perturbing textconditioned embeddings, resulting in semantic instability and insufficient shift diversity, which limit generalization to realistic OOD. To address these challenges, we propose GOOD, a novel and flexible framework that directly guides diffusion sampling trajectories towards OOD regions using off-the-shelf in-distribution (ID) classifiers. GOOD incorporates dual-level guidance: (1) Image-level guidance based on the gradient of log partition to reduce input likelihood, drives samples toward low-density regions in pixel space.



CADet: Fully Self-Supervised Anomaly Detection With Contrastive Learning

Neural Information Processing Systems

Handling out-of-distribution (OOD) samples has become a major stake in the real-world deployment of machine learning systems. This work explores the use of self-supervised contrastive learning to the simultaneous detection of two types of OOD samples: unseen classes and adversarial perturbations.


Scanning Trojaned Models Using Out-of-Distribution Samples

Neural Information Processing Systems

Scanning for trojan (backdoor) in deep neural networks is crucial due to their significant real-world applications. There has been an increasing focus on developing effective general trojan scanning methods across various trojan attacks. Despite advancements, there remains a shortage of methods that perform effectively without preconceived assumptions about the backdoor attack method. Additionally, we have observed that current methods struggle to identify classifiers trojaned using adversarial training. Motivated by these challenges, our study introduces a novel scanning method named TRODO (TROjan scanning by Detection of adversarial shifts in Out-of-distribution samples).


The Best of Both Worlds: On the Dilemma of Out-of-distribution Detection

Neural Information Processing Systems

Out-of-distribution (OOD) detection is essential for model trustworthiness which aims to sensitively identity semantic OOD samples and robustly generalize for covariate-shifted OOD samples. However, we discover that the superior OOD detection performance of state-of-the-art methods is achieved by secretly sacrificing the OOD generalization ability. The classification accuracy frequently collapses catastrophically when even slight noise is encountered. Such a phenomenon violates the motivation of trustworthiness and significantly limits the model's deployment in the real world. What is the hidden reason behind such a limitation?