Test-time adaptation (TTA) enhances the zero-shot robustness under distribution shifts by leveraging unlabeled test data during inference. Despite notable advances, several challenges still limit its broader applicability. First, most methods rely on backpropagation or iterative optimization, which limits scalability and hinders real-time deployment. Second, they lack explicit modeling of class-conditional feature distributions. This modeling is crucial for producing reliable decision boundaries and calibrated predictions, but it remains underexplored due to the lack of both source data and supervision at test time.

Recent deep clustering models have produced impressive clustering performance. However, a common issue with existing methods is the disparity between global and local feature structures. While local structures typically show strong consistency and compactness within class samples, global features often present intertwined boundaries and poorly separated clusters. Motivated by this observation, we propose DCBoost, a parameter-free plug-in designed to enhance the global feature structures of current deep clustering models. By harnessing reliable local structural cues, our method aims to elevate clustering performance effectively. Specifically, we first identify high-confidence samples through adaptive k-nearest neighborsbased consistency filtering, aiming to select a sufficient number of samples with high label reliability to serve as trustworthy anchors for self-supervision. Subsequently, these samples are utilized to compute a discriminative loss, which promotes both intra-class compactness and inter-class separability, to guide network optimization. Extensive experiments across various benchmark datasets showcase that our DCBoost significantly improves the clustering performance of diverse existing deep clustering models. Notably, our method improves the performance of current state-of-the-art baselines (e.g., ProPos) by more than 3% on average and amplifies the silhouette coefficient by over 7 .

Test-time adaptation (TTA) enhances the zero-shot robustness under distribution shifts by leveraging unlabeled test data during inference. Despite notable advances, several challenges still limit its broader applicability. First, most methods rely on backpropagation or iterative optimization, which limits scalability and hinders real-time deployment. Second, they lack explicit modeling of class-conditional feature distributions. This modeling is crucial for producing reliable decision boundaries and calibrated predictions, but it remains underexplored due to the lack of both source data and supervision at test time. In this paper, we propose ADAPT, an Advanced Distribution-Aware and backPropagation-free Test-time adaptation method. We reframe TTA as a Gaussian probabilistic inference task by modeling class-conditional likelihoods using gradually updated class means and a shared covariance matrix. This enables closed-form, training-free inference. To correct potential likelihood bias, we introduce lightweight regularization guided by CLIP priors and a historical knowledge bank. ADAPT requires no source data, no gradient updates, and no full access to target data, supporting both online and transductive settings. Extensive experiments across diverse benchmarks demonstrate that our method achieves state-of-the-art performance under a wide range of distribution shifts with superior scalability and robustness.

Consistency regularization and pseudo-labeling have significantly advanced semi-supervised learning (SSL). Prior works have effectively employed Mixup for consistency regularization in SSL. However, our findings indicate that applying Mixup for consistency regularization may degrade SSL performance by compromising the purity of artificial labels. Moreover, most pseudo-labeling based methods utilize thresholding strategy to exclude low-confidence data, aiming to mitigate confirmation bias; however, this approach limits the utility of unlabeled samples. To address these challenges, we propose RegMixMatch, a novel framework that optimizes the use of Mixup with both high- and low-confidence samples in SSL. First, we introduce semi-supervised RegMixup, which effectively addresses reduced artificial labels purity by using both mixed samples and clean samples for training. Second, we develop a class-aware Mixup technique that integrates information from the top-2 predicted classes into low-confidence samples and their artificial labels, reducing the confirmation bias associated with these samples and enhancing their effective utilization. Experimental results demonstrate that RegMixMatch achieves state-of-the-art performance across various SSL benchmarks.

Deep neural networks have demonstrated remarkable advancements in various fields using large, well-annotated datasets. However, real-world data often exhibit long-tailed distributions and label noise, significantly degrading generalization performance. Recent studies addressing these issues have focused on noisy sample selection methods that estimate the centroid of each class based on high-confidence samples within each target class. The performance of these methods is limited because they use only the training samples within each class for class centroid estimation, making the quality of centroids susceptible to long-tailed distributions and noisy labels. In this study, we present a robust training framework called Distribution-aware Sample Selection and Contrastive Learning (DaSC). Specifically, DaSC introduces a Distribution-aware Class Centroid Estimation (DaCC) to generate enhanced class centroids. DaCC performs weighted averaging of the features from all samples, with weights determined based on model predictions. Additionally, we propose a confidence-aware contrastive learning strategy to obtain balanced and robust representations. The training samples are categorized into high-confidence and low-confidence samples. Our method then applies Semi-supervised Balanced Contrastive Loss (SBCL) using high-confidence samples, leveraging reliable label information to mitigate class bias. For the low-confidence samples, our method computes Mixup-enhanced Instance Discrimination Loss (MIDL) to improve their representations in a self-supervised manner. Our experimental results on CIFAR and real-world noisy-label datasets demonstrate the superior performance of the proposed DaSC compared to previous approaches.

Abstract: Deep neural networks (DNN) are prone to miscalibrated predictions, often exhibiting a mismatch between the predicted output and the associated confidence scores. Contemporary model calibration techniques mitigate the problem of overconfident predictions by pushing down the confidence of the winning class while increasing the confidence of the remaining classes across all test samples. However, from a deployment perspective, an ideal model is desired to (i) generate well-calibrated predictions for high-confidence samples with predicted probability say 0.95, and (ii) generate a higher proportion of legitimate high-confidence samples. To this end, we propose a novel regularization technique that can be used with classification losses, leading to state-of-the-art calibrated predictions at test time; From a deployment standpoint in safety-critical applications, only high-confidence samples from a well-calibrated model are of interest, as the remaining samples have to undergo manual inspection. Predictive confidence reduction of these potentially high-confidence samples'' is a downside of existing calibration approaches.

Deep neural networks (DNN) are prone to miscalibrated predictions, often exhibiting a mismatch between the predicted output and the associated confidence scores. Contemporary model calibration techniques mitigate the problem of overconfident predictions by pushing down the confidence of the winning class while increasing the confidence of the remaining classes across all test samples. However, from a deployment perspective, an ideal model is desired to (i) generate well-calibrated predictions for high-confidence samples with predicted probability say >0.95, and (ii) generate a higher proportion of legitimate high-confidence samples. To this end, we propose a novel regularization technique that can be used with classification losses, leading to state-of-the-art calibrated predictions at test time; From a deployment standpoint in safety-critical applications, only high-confidence samples from a well-calibrated model are of interest, as the remaining samples have to undergo manual inspection. Predictive confidence reduction of these potentially ``high-confidence samples'' is a downside of existing calibration approaches. We mitigate this by proposing a dynamic train-time data pruning strategy that prunes low-confidence samples every few epochs, providing an increase in "confident yet calibrated samples". We demonstrate state-of-the-art calibration performance across image classification benchmarks, reducing training time without much compromise in accuracy. We provide insights into why our dynamic pruning strategy that prunes low-confidence training samples leads to an increase in high-confidence samples at test time.

The Graph Convolutional Networks (GCNs) have achieved excellent results in node classification tasks, but the model's performance at low label rates is still unsatisfactory. Previous studies in Semi-Supervised Learning (SSL) for graph have focused on using network predictions to generate soft pseudo-labels or instructing message propagation, which inevitably contains the incorrect prediction due to the over-confident in the predictions. Our proposed Dual-Channel Consistency based Graph Convolutional Networks (DCC-GCN) uses dual-channel to extract embeddings from node features and topological structures, and then achieves reliable low-confidence and high-confidence samples selection based on dual-channel consistency. We further confirmed that the low-confidence samples obtained based on dual-channel consistency were low in accuracy, constraining the model's performance. Unlike previous studies ignoring low-confidence samples, we calibrate the feature embeddings of the low-confidence samples by using the neighborhood's high-confidence samples. Our experiments have shown that the DCC-GCN can more accurately distinguish between low-confidence and high-confidence samples, and can also significantly improve the accuracy of low-confidence samples. We conducted extensive experiments on the benchmark datasets and demonstrated that DCC-GCN is significantly better than state-of-the-art baselines at different label rates.

Quantitative structure-activity relationship (QSAR) modelling is effective 'bridge' to search the reliable relationship related bioactivity to molecular structure. A QSAR classification model contains a lager number of redundant, noisy and irrelevant descriptors. To address this problem, various of methods have been proposed for descriptor selection. Generally, they can be grouped into three categories: filters, wrappers, and embedded methods. Regularization method is an important embedded technology, which can be used for continuous shrinkage and automatic descriptors selection. In recent years, the interest of researchers in the application of regularization techniques is increasing in descriptors selection , such as, logistic regression(LR) with $L_1$ penalty. In this paper, we proposed a novel descriptor selection method based on self-paced learning(SPL) with Logsum penalized LR for predicting the bioactivity of molecular structure. SPL inspired by the learning process of humans and animals that gradually learns from easy samples(smaller losses) to hard samples(bigger losses) samples into training and Logsum regularization has capacity to select few meaningful and significant molecular descriptors, respectively. Experimental results on simulation and three public QSAR datasets show that our proposed SPL-Logsum method outperforms other commonly used sparse methods in terms of classification performance and model interpretation.