Qianfeng Yu

Ningkang Peng, Qianfeng Yu, Xiaoqian Peng et al.

Out-of-Distribution (OOD) detection is crucial for the secure deployment of machine learning models, and prototype-based learning methods are among the mainstream strategies for achieving OOD detection. Existing prototype-based learning methods generally rely on a fixed number of prototypes. This static assumption fails to adapt to the inherent complexity differences across various categories. Currently, there is still a lack of a mechanism that can adaptively adjust the number of prototypes based on data complexity. Inspired by the processes of cell birth and death in biology, we propose a novel method named PID (Prototype bIrth and Death) to adaptively adjust the prototype count based on data complexity. This method relies on two dynamic mechanisms during the training process: prototype birth and prototype death. The birth mechanism instantiates new prototypes in data regions with insufficient representation by identifying the overload level of existing prototypes, thereby meticulously capturing intra-class substructures. Conversely, the death mechanism reinforces the decision boundary by pruning prototypes with ambiguous class boundaries through evaluating their discriminability. Through birth and death, the number of prototypes can be dynamically adjusted according to the data complexity, leading to the learning of more compact and better-separated In-Distribution (ID) embeddings, which significantly enhances the capability to detect OOD samples. Experiments demonstrate that our dynamic method, PID, significantly outperforms existing methods on benchmarks such as CIFAR-100, achieving State-of-the-Art (SOTA) performance, especially on the FPR95 metric.

Ningkang Peng, Jingyang Mao, Qianfeng Yu et al.

In large-scale visual recognition and data mining tasks, the presence of noisy labels severely undermines the generalization capability of deep neural networks (DNNs). Prevalent sample selection methods rely primarily on training loss or prediction confidence for passive screening. However, within a feature space degraded by noise, decision boundaries undergo systematic boundary collapse. This phenomenon hinders the ability of the model to distinguish between hard clean samples and noisy samples at the decision margins, thereby creating a significant performance bottleneck. This study is the first to emphasize the pivotal importance of active boundary restoration for noise-robust learning. We propose HamBR, a novel paradigm based on Hamiltonian dynamics. The core approach leverages the Spherical Hamiltonian Monte Carlo (Spherical HMC) mechanism to actively probe inter-class ambiguous regions within the representation space and synthesize high-quality virtual outliers. By imposing explicit repulsion constraints via energy-based modeling, these synthesized samples establish robust energy barriers at the decision boundaries. This mechanism forces real samples to move from dispersed overlapping regions toward their respective class centers, thereby restoring the discriminative sharpness of the decision boundaries. HamBR demonstrates exceptional versatility and can be integrated as a plug-and-play defense module into existing semi-supervised noisy label learning frameworks. Empirical evaluations show that the proposed paradigm significantly enhances the discriminative accuracy of hard boundary samples, achieving state-of-the-art (SOTA) performance on CIFAR-10/100 and real-world noise benchmarks. Furthermore, it exhibits superior convergence efficiency and reliable robustness, while improving significantly the capability of the model for Out-of-Distribution (OOD) detection.

Qianfeng Yu, Ningkang Peng, Yanhui Gu

Understanding the conformational evolution of $β$-amyloid ($Aβ$), particularly the $Aβ_{42}$ isoform, is fundamental to elucidating the pathogenic mechanisms underlying Alzheimer's disease. However, existing end-to-end deep learning models often struggle to capture subtle state transitions in protein trajectories due to a lack of explicit physical constraints. In this work, we introduce PIS, a Physics-Informed System designed for robust metastable state partitioning. By integrating pre-computed physical priors, such as the radius of gyration and solvent-accessible surface area, into the extraction of topological features, our model achieves superior performance on the $Aβ_{42}$ dataset. Furthermore, PIS provides an interactive platform that features dynamic monitoring of physical characteristics and multi-dimensional result validation. This system offers biological researchers a powerful set of analytical tools with physically grounded interpretability. A demonstration video of PIS is available on https://youtu.be/AJHGzUtRCg0.

Ningkang Peng, Xiaoqian Peng, Yuhao Zhang et al.

While feature-based post-hoc methods have made significant strides in Out-of-Distribution (OOD) detection, we uncover a counter-intuitive Simplicity Paradox in existing state-of-the-art (SOTA) models: these models exhibit keen sensitivity in distinguishing semantically subtle OOD samples but suffer from severe Geometric Blindness when confronting structurally distinct yet semantically simple samples or high-frequency sensor noise. We attribute this phenomenon to Semantic Hegemony within the deep feature space and reveal its mathematical essence through the lens of Neural Collapse. Theoretical analysis demonstrates that the spectral concentration bias, induced by the high variance of the principal subspace, numerically masks the structural distribution shift signals that should be significant in the residual subspace. To address this issue, we propose D-KNN, a training-free, plug-and-play geometric decoupling framework. This method utilizes orthogonal decomposition to explicitly separate semantic components from structural residuals and introduces a dual-space calibration mechanism to reactivate the model's sensitivity to weak residual signals. Extensive experiments demonstrate that D-KNN effectively breaks Semantic Hegemony, establishing new SOTA performance on both CIFAR and ImageNet benchmarks. Notably, in resolving the Simplicity Paradox, it reduces the FPR95 from 31.3% to 2.3%; when addressing sensor failures such as Gaussian noise, it boosts the detection performance (AUROC) from a baseline of 79.7% to 94.9%.

Ningkang Peng, Qianfeng Yu, Yuhao Zhang et al.

Out-of-Distribution (OOD) detection under long-tailed distributions is a highly challenging task because the scarcity of samples in tail classes leads to blurred decision boundaries in the feature space. Current state-of-the-art (sota) methods typically employ Outlier Exposure (OE) strategies, relying on large-scale real external datasets (such as 80 Million Tiny Images) to regularize the feature space. However, this dependence on external data often becomes infeasible in practical deployment due to high data acquisition costs and privacy sensitivity. To this end, we propose a novel data-free framework aimed at completely eliminating reliance on external datasets while maintaining superior detection performance. We introduce a Geometry-guided virtual Outlier Synthesis (GOS) strategy that models statistical properties using the von Mises-Fisher (vMF) distribution on a hypersphere. Specifically, we locate a low-likelihood annulus in the feature space and perform directional sampling of virtual outliers in this region. Simultaneously, we introduce a new Dual-Granularity Semantic Loss (DGS) that utilizes contrastive learning to maximize the distinction between in-distribution (ID) features and these synthesized boundary outliers. Extensive experiments on benchmarks such as CIFAR-LT demonstrate that our method outperforms sota approaches that utilize external real images.

Ningkang Peng, JiuTao Zhou, Yuhao Zhang et al.

Out-of-distribution (OOD) detection is a critical task for the safe deployment of machine learning models in the real world. Existing prototype-based representation learning methods have demonstrated exceptional performance. Specifically, we identify two fundamental flaws that universally constrain these methods: the Static Homogeneity Assumption (fixed representational resources for all classes) and the Learning-Inference Disconnect (discarding rich prototype quality knowledge at inference). These flaws fundamentally limit the model's capacity and performance. To address these issues, we propose APEX (Adaptive Prototype for eXtensive OOD Detection), a novel OOD detection framework designed via a Two-Stage Repair process to optimize the learned feature manifold. APEX introduces two key innovations to address these respective flaws: (1) an Adaptive Prototype Manifold (APM), which leverages the Minimum Description Length (MDL) principle to automatically determine the optimal prototype complexity $K_c^*$ for each class, thereby fundamentally resolving prototype collision; and (2) a Posterior-Aware OOD Scoring (PAOS) mechanism, which quantifies prototype quality (cohesion and separation) to bridge the learning-inference disconnect. Comprehensive experiments on benchmarks such as CIFAR-100 validate the superiority of our method, where APEX achieves new state-of-the-art performance.

Ningkang Peng, Yuzhe Mao, Yuhao Zhang et al.

Out-of-Distribution (OOD) detection is a cornerstone for the safe deployment of AI systems in the open world. However, existing methods treat OOD detection as a binary classification problem, a cognitive flattening that fails to distinguish between semantically close (Near-OOD) and distant (Far-OOD) unknown risks. This limitation poses a significant safety bottleneck in applications requiring fine-grained risk stratification. To address this, we propose a paradigm shift from a conventional probabilistic view to a principled information-theoretic framework. We formalize the core task as quantifying the Semantic Surprise of a new sample and introduce a novel ternary classification challenge: In-Distribution (ID) vs. Near-OOD vs. Far-OOD. The theoretical foundation of our work is the concept of Low-Entropy Semantic Manifolds, which are explicitly structured to reflect the data's intrinsic semantic hierarchy. To construct these manifolds, we design a Hierarchical Prototypical Network. We then introduce the Semantic Surprise Vector (SSV), a universal probe that decomposes a sample's total surprise into three complementary and interpretable dimensions: conformity, novelty, and ambiguity. To evaluate performance on this new task, we propose the Normalized Semantic Risk (nSR), a cost-sensitive metric. Experiments demonstrate that our framework not only establishes a new state-of-the-art (sota) on the challenging ternary task, but its robust representations also achieve top results on conventional binary benchmarks, reducing the False Positive Rate by over 60% on datasets like LSUN.