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Harnessing Feature Resonance under Arbitrary Target Alignment for Out-of-Distribution Node Detection
Out-of-distribution (OOD) node detection in graphs is a critical yet challenging task. Most existing approaches rely heavily on fine-grained labeled data to obtain a pretrained supervised classifier, inherently assuming the existence of a well-defined pretext classification task. However, when such a task is ill-defined or absent, their applicability becomes severely limited. To overcome this limitation, there is an urgent need to propose a more scalable OOD detection method that is independent of both pretext tasks and label supervision. We harness a new phenomenon called Feature Resonance, focusing on the feature space rather than the label space. We observe that, ideally, during the optimization of known ID samples, unknown ID samples undergo more significant representation changes than OOD samples, even when the model is trained to align arbitrary targets. The rationale behind it is that even without gold labels, the local manifold may still exhibit smooth resonance. Based on this, we further develop a novel graph OOD framework, dubbed Resonance-based Separation and Learning (RSL), which comprises two core modules: (i)-a more practical micro-level proxy of feature resonance that measures the movement of feature vectors in one training step.
Category-free Out-of-Distribution Node Detection with Feature Resonance
Yang, Shenzhi, Zhao, Junbo, Yang, Shouqing, Li, Yixuan, Yang, Dingyu, Zhang, Xiaofang, Wang, Haobo
Detecting out-of-distribution (OOD) nodes in the graph-based machine-learning field is challenging, particularly when in-distribution (ID) node multi-category labels are unavailable. Thus, we focus on feature space rather than label space and find that, ideally, during the optimization of known ID samples, unknown ID samples undergo more significant representation changes than OOD samples, even if the model is trained to fit random targets, which we called the Feature Resonance phenomenon. The rationale behind it is that even without gold labels, the local manifold may still exhibit smooth resonance. Based on this, we further develop a novel graph OOD framework, dubbed Resonance-based Separation and Learning (RSL), which comprises two core modules: (i) a more practical micro-level proxy of feature resonance that measures the movement of feature vectors in one training step. (ii) integrate with synthetic OOD nodes strategy to train an effective OOD classifier. Theoretically, we derive an error bound showing the superior separability of OOD nodes during the resonance period. Empirically, RSL achieves state-of-the-art performance, reducing the FPR95 metric by an average of 18.51% across five real-world datasets.
Rectified Lagrangian for Out-of-Distribution Detection in Modern Hopfield Networks
Moriai, Ryo, Inoue, Nakamasa, Tanaka, Masayuki, Kawakami, Rei, Ikehata, Satoshi, Sato, Ikuro
Modern Hopfield networks (MHNs) have recently gained significant attention in the field of artificial intelligence because they can store and retrieve a large set of patterns with an exponentially large memory capacity. A MHN is generally a dynamical system defined with Lagrangians of memory and feature neurons, where memories associated with in-distribution (ID) samples are represented by attractors in the feature space. One major problem in existing MHNs lies in managing out-of-distribution (OOD) samples because it was originally assumed that all samples are ID samples. To address this, we propose the rectified Lagrangian (RegLag), a new Lagrangian for memory neurons that explicitly incorporates an attractor for OOD samples in the dynamical system of MHNs. RecLag creates a trivial point attractor for any interaction matrix, enabling OOD detection by identifying samples that fall into this attractor as OOD. The interaction matrix is optimized so that the probability densities can be estimated to identify ID/OOD. We demonstrate the effectiveness of RecLag-based MHNs compared to energy-based OOD detection methods, including those using state-of-the-art Hop-field energies, across nine image datasets.
Distribution Shifts at Scale: Out-of-distribution Detection in Earth Observation
Ekim, Burak, Tadesse, Girmaw Abebe, Robinson, Caleb, Hacheme, Gilles, Schmitt, Michael, Dodhia, Rahul, Ferres, Juan M. Lavista
Training robust deep learning models is critical in Earth Observation, where globally deployed models often face distribution shifts that degrade performance, especially in low-data regions. Out-of-distribution (OOD) detection addresses this challenge by identifying inputs that differ from in-distribution (ID) data. However, existing methods either assume access to OOD data or compromise primary task performance, making them unsuitable for real-world deployment. We propose TARDIS, a post-hoc OOD detection method for scalable geospatial deployments. The core novelty lies in generating surrogate labels by integrating information from ID data and unknown distributions, enabling OOD detection at scale. Our method takes a pre-trained model, ID data, and WILD samples, disentangling the latter into surrogate ID and surrogate OOD labels based on internal activations, and fits a binary classifier as an OOD detector. We validate TARDIS on EuroSAT and xBD datasets, across 17 experimental setups covering covariate and semantic shifts, showing that it performs close to the theoretical upper bound in assigning surrogate ID and OOD samples in 13 cases. To demonstrate scalability, we deploy TARDIS on the Fields of the World dataset, offering actionable insights into pre-trained model behavior for large-scale deployments. The code is publicly available at https://github.com/microsoft/geospatial-ood-detection.
Dimensionality-induced information loss of outliers in deep neural networks
Uematsu, Kazuki, Haruki, Kosuke, Suzuki, Taiji, Kimura, Mitsuhiro, Takimoto, Takahiro, Nakagawa, Hideyuki
Out-of-distribution (OOD) detection is a critical issue for the stable and reliable operation of systems using a deep neural network (DNN). Although many OOD detection methods have been proposed, it remains unclear how the differences between in-distribution (ID) and OOD samples are generated by each processing step inside DNNs. We experimentally clarify this issue by investigating the layer dependence of feature representations from multiple perspectives. We find that intrinsic low dimensionalization of DNNs is essential for understanding how OOD samples become more distinct from ID samples as features propagate to deeper layers. Based on these observations, we provide a simple picture that consistently explains various properties of OOD samples. Specifically, low-dimensional weights eliminate most information from OOD samples, resulting in misclassifications due to excessive attention to dataset bias. In addition, we demonstrate the utility of dimensionality by proposing a dimensionality-aware OOD detection method based on alignment of features and weights, which consistently achieves high performance for various datasets with lower computational cost.
Distilling the Unknown to Unveil Certainty
Zhao, Zhilin, Cao, Longbing, Zhang, Yixuan, Lin, Kun-Yu, Zheng, Wei-Shi
Out-of-distribution (OOD) detection is essential in identifying test samples that deviate from the in-distribution (ID) data upon which a standard network is trained, ensuring network robustness and reliability. This paper introduces OOD knowledge distillation, a pioneering learning framework applicable whether or not training ID data is available, given a standard network. This framework harnesses unknown OOD-sensitive knowledge from the standard network to craft a certain binary classifier adept at distinguishing between ID and OOD samples. To accomplish this, we introduce Confidence Amendment (CA), an innovative methodology that transforms an OOD sample into an ID one while progressively amending prediction confidence derived from the standard network. This approach enables the simultaneous synthesis of both ID and OOD samples, each accompanied by an adjusted prediction confidence, thereby facilitating the training of a binary classifier sensitive to OOD. Theoretical analysis provides bounds on the generalization error of the binary classifier, demonstrating the pivotal role of confidence amendment in enhancing OOD sensitivity. Extensive experiments spanning various datasets and network architectures confirm the efficacy of the proposed method in detecting OOD samples.