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Qinghua Tao

Publications and source records attributed to Qinghua Tao.

At least 19 recordsLinked to original sources
arXiv2026

Beyond Perceptual Distance: Discrepancy Assessment on Deep Representation for Out-of-Distribution Detection with Diffusion Model

Out-of-Distribution (OoD) detection aims to justify whether a given sample is from the training distribution of the classifier-under-protection, i.e., In-Distribution (InD), or from an unknown out distribution. Recent researches have leveraged Diffusion Models (DMs) for OoD detection due to their powerful distribution modeling capability. Given an input image, an InD-pretrained DM produces a corresponding InD-aligned counterpart, which serves as a generative reference for comparison. However, existing DM-based methods typically assess this underlying discrepancy through visual-level distances in the raw image space, which may be misaligned with the distributional discrepancy relevant to OoD detection. In this work, we investigate the fundamentals of discrepancy assessment in DM-based OoD detection, asking how the discrepancy between an input and its DM-generated counterpart should be formulated, and in which representation spaces and with which metrics it should be measured. To this end, we propose to assess the discrepancy in a classifier-relative manner by exploiting the representation spaces of the classifier-under-protection, whose training on InD data encodes rich task-relevant InD knowledge. In particular, we quantify two types of discrepancy: feature-level covariate discrepancy in deep feature representations and logit-level concept discrepancy in output logits, enabling effective differentiation between InD and OoD samples. Moreover, a subspace-based strategy is devised to refine representations of the DM generation to promote discrepancy assessment. Together, these designs form our novel detection framework, namely DDR. Extensive experiments on the challenging large-scale ImageNet-1K dataset demonstrate the superior detection performance of DDR over both DM-based and non-DM-based methods.

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arXiv2026

Kernel PCA for Out-of-Distribution Detection: Non-Linear Kernel Selection and Approximation

Out-of-Distribution (OoD) detection is vital for the reliability of deep neural networks, the key of which lies in effectively characterizing the disparities between OoD and In-Distribution (InD) data. In this work, such disparities are exploited through a fresh perspective of non-linear feature subspace. That is, a discriminative non-linear subspace is learned from InD features to capture representative patterns of InD, while informative patterns of OoD features cannot be well captured in such a subspace due to their different distribution. Grounded on this perspective, we exploit the deviations of InD and OoD features in such a non-linear subspace for effective OoD detection. To be specific, we leverage the framework of Kernel Principal Component Analysis (KPCA) to attain the discriminative non-linear subspace and deploy the reconstruction error on such subspace to distinguish InD and OoD data. Two challenges emerge: (i) the learning of an effective non-linear subspace, i.e., the selection of kernel function in KPCA, and (ii) the computation of the kernel matrix with large-scale InD data. For the former, we reveal two vital non-linear patterns that closely relate to the InD-OoD disparity, leading to the establishment of a Cosine-Gaussian kernel for constructing the subspace. For the latter, we introduce two techniques to approximate the Cosine-Gaussian kernel with significantly cheap computations. In particular, our approximation is further tailored by incorporating the InD data confidence, which is demonstrated to promote the learning of discriminative subspaces for OoD data. Our study presents new insights into the non-linear feature subspace for OoD detection and contributes practical explorations on the associated kernel design and efficient computations, yielding a KPCA detection method with distinctively improved efficacy and efficiency.

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arXiv2026

Machine Unlearning in Low-Dimensional Feature Subspace

Machine Unlearning (MU) aims at removing the influence of specific data from a pretrained model while preserving performance on the remaining data. In this work, a novel perspective for MU is presented upon low-dimensional feature subspaces, which gives rise to the potentials of separating the remaining and forgetting data herein. This separability motivates our LOFT, a method that proceeds unlearning in a LOw-dimensional FeaTure subspace from the pretrained model skithrough principal projections, which are optimized to maximally capture the information of the remaining data and meanwhile diminish that of the forgetting data. In training, LOFT simply optimizes a small-size projection matrix flexibly plugged into the pretrained model, and only requires one-shot feature fetching from the pretrained backbone instead of repetitively accessing the raw data. Hence, LOFT mitigates two critical issues in mainstream MU methods, i.e., the privacy leakage risk from massive data reload and the inefficiency of updates to the entire pretrained model. Extensive experiments validate the significantly lower computational overhead and superior unlearning performance of LOFT across diverse models, datasets, tasks, and applications. Code is anonymously available at https://anonymous.4open.science/r/4352/.

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arXiv2025

Multi-head Ensemble of Smoothed Classifiers for Certified Robustness

Randomized Smoothing (RS) is a promising technique for certified robustness, and recently in RS the ensemble of multiple Deep Neural Networks (DNNs) has shown state-of-the-art performances due to its variance reduction effect over Gaussian noises. However, such an ensemble brings heavy computation burdens in both training and certification, and yet under-exploits individual DNNs and their mutual effects, as the communication between these classifiers is commonly ignored in optimization. In this work, we consider a novel ensemble-based training way for a single DNN with multiple augmented heads, named as SmOothed Multi-head Ensemble (SOME). In SOME, similar to the pursuit of variance reduction via ensemble, an ensemble of multiple heads imposed with a cosine constraint inside a single DNN is employed with much cheaper training and certification computation overloads in RS. In such network structure, an associated training strategy is designed by introducing a circular communication flow among those augmented heads. That is, each head teaches its neighbor with the self-paced learning strategy using smoothed losses, which are specifically designed in relation to certified robustness. The deployed multi-head structure and the circular-teaching scheme in SOME jointly contribute to the diversities among multiple heads and benefit their ensemble, leading to a competitively stronger certifiably-robust RS-based defense than ensembling multiple DNNs (effectiveness) at the cost of much less computational expenses (efficiency), verified by extensive experiments and discussions.

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arXiv2025

Learning in Feature Spaces via Coupled Covariances: Asymmetric Kernel SVD and Nyström method

In contrast with Mercer kernel-based approaches as used e.g., in Kernel Principal Component Analysis (KPCA), it was previously shown that Singular Value Decomposition (SVD) inherently relates to asymmetric kernels and Asymmetric Kernel Singular Value Decomposition (KSVD) has been proposed. However, the existing formulation to KSVD cannot work with infinite-dimensional feature mappings, the variational objective can be unbounded, and needs further numerical evaluation and exploration towards machine learning. In this work, i) we introduce a new asymmetric learning paradigm based on coupled covariance eigenproblem (CCE) through covariance operators, allowing infinite-dimensional feature maps. The solution to CCE is ultimately obtained from the SVD of the induced asymmetric kernel matrix, providing links to KSVD. ii) Starting from the integral equations corresponding to a pair of coupled adjoint eigenfunctions, we formalize the asymmetric Nyström method through a finite sample approximation to speed up training. iii) We provide the first empirical evaluations verifying the practical utility and benefits of KSVD and compare with methods resorting to symmetrization or linear SVD across multiple tasks.

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arXiv2025

Trainable Weight Averaging: Accelerating Training and Improving Generalization

Weight averaging is a widely used technique for accelerating training and improving the generalization of deep neural networks (DNNs). While existing approaches like stochastic weight averaging (SWA) rely on pre-set weighting schemes, they can be suboptimal when handling diverse weights. We introduce Trainable Weight Averaging (TWA), a novel optimization method that operates within a reduced subspace spanned by candidate weights and learns optimal weighting coefficients through optimization. TWA offers greater flexibility and can be applied to different training scenarios. For large-scale applications, we develop a distributed training framework that combines parallel computation with low-bit compression for the projection matrix, effectively managing memory and computational demands. TWA can be implemented using either training data (TWA-t) or validation data (TWA-v), with the latter providing more effective averaging. Extensive experiments showcase TWA's advantages: (i) it consistently outperforms SWA in generalization performance and flexibility, (ii) when applied during early training, it reduces training time by over 40\% on CIFAR datasets and 30\% on ImageNet while maintaining comparable performance, and (iii) during fine-tuning, it significantly enhances generalization by weighted averaging of model checkpoints. In summary, we present an efficient and effective framework for trainable weight averaging. The code is available at https://github.com/nblt/TWA.

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arXiv2025

From Dense to Sparse: Event Response for Enhanced Residential Load Forecasting

Residential load forecasting (RLF) is crucial for resource scheduling in power systems. Most existing methods utilize all given load records (dense data) to indiscriminately extract the dependencies between historical and future time series. However, there exist important regular patterns residing in the event-related associations among different appliances (sparse knowledge), which have yet been ignored. In this paper, we propose an Event-Response Knowledge Guided approach (ERKG) for RLF by incorporating the estimation of electricity usage events for different appliances, mining event-related sparse knowledge from the load series. With ERKG, the event-response estimation enables portraying the electricity consumption behaviors of residents, revealing regular variations in appliance operational states. To be specific, ERKG consists of knowledge extraction and guidance: i) a forecasting model is designed for the electricity usage events by estimating appliance operational states, aiming to extract the event-related sparse knowledge; ii) a novel knowledge-guided mechanism is established by fusing such state estimates of the appliance events into the RLF model, which can give particular focuses on the patterns of users' electricity consumption behaviors. Notably, ERKG can flexibly serve as a plug-in module to boost the capability of existing forecasting models by leveraging event response. In numerical experiments, extensive comparisons and ablation studies have verified the effectiveness of our ERKG, e.g., over 8% MAE can be reduced on the tested state-of-the-art forecasting models.

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arXiv2025

Kernel PCA for Out-of-Distribution Detection

Out-of-Distribution (OoD) detection is vital for the reliability of Deep Neural Networks (DNNs). Existing works have shown the insufficiency of Principal Component Analysis (PCA) straightforwardly applied on the features of DNNs in detecting OoD data from In-Distribution (InD) data. The failure of PCA suggests that the network features residing in OoD and InD are not well separated by simply proceeding in a linear subspace, which instead can be resolved through proper non-linear mappings. In this work, we leverage the framework of Kernel PCA (KPCA) for OoD detection, and seek suitable non-linear kernels that advocate the separability between InD and OoD data in the subspace spanned by the principal components. Besides, explicit feature mappings induced from the devoted task-specific kernels are adopted so that the KPCA reconstruction error for new test samples can be efficiently obtained with large-scale data. Extensive theoretical and empirical results on multiple OoD data sets and network structures verify the superiority of our KPCA detector in efficiency and efficacy with state-of-the-art detection performance.

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arXiv2024

Revisiting Deep Ensemble for Out-of-Distribution Detection: A Loss Landscape Perspective

Existing Out-of-Distribution (OoD) detection methods address to detect OoD samples from In-Distribution (InD) data mainly by exploring differences in features, logits and gradients in Deep Neural Networks (DNNs). We in this work propose a new perspective upon loss landscape and mode ensemble to investigate OoD detection. In the optimization of DNNs, there exist many local optima in the parameter space, or namely modes. Interestingly, we observe that these independent modes, which all reach low-loss regions with InD data (training and test data), yet yield significantly different loss landscapes with OoD data. Such an observation provides a novel view to investigate the OoD detection from the loss landscape, and further suggests significantly fluctuating OoD detection performance across these modes. For instance, FPR values of the RankFeat method can range from 46.58% to 84.70% among 5 modes, showing uncertain detection performance evaluations across independent modes. Motivated by such diversities on OoD loss landscape across modes, we revisit the deep ensemble method for OoD detection through mode ensemble, leading to improved performance and benefiting the OoD detector with reduced variances. Extensive experiments covering varied OoD detectors and network structures illustrate high variances across modes and validate the superiority of mode ensemble in boosting OoD detection. We hope this work could attract attention in the view of independent modes in the loss landscape of OoD data and more reliable evaluations on OoD detectors.

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arXiv2024

Self-Attention through Kernel-Eigen Pair Sparse Variational Gaussian Processes

While the great capability of Transformers significantly boosts prediction accuracy, it could also yield overconfident predictions and require calibrated uncertainty estimation, which can be commonly tackled by Gaussian processes (GPs). Existing works apply GPs with symmetric kernels under variational inference to the attention kernel; however, omitting the fact that attention kernels are in essence asymmetric. Moreover, the complexity of deriving the GP posteriors remains high for large-scale data. In this work, we propose Kernel-Eigen Pair Sparse Variational Gaussian Processes (KEP-SVGP) for building uncertainty-aware self-attention where the asymmetry of attention kernels is tackled by Kernel SVD (KSVD) and a reduced complexity is acquired. Through KEP-SVGP, i) the SVGP pair induced by the two sets of singular vectors from KSVD w.r.t. the attention kernel fully characterizes the asymmetry; ii) using only a small set of adjoint eigenfunctions from KSVD, the derivation of SVGP posteriors can be based on the inversion of a diagonal matrix containing singular values, contributing to a reduction in time complexity; iii) an evidence lower bound is derived so that variational parameters and network weights can be optimized with it. Experiments verify our excellent performances and efficiency on in-distribution, distribution-shift and out-of-distribution benchmarks.

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arXiv2024

Revisiting Random Weight Perturbation for Efficiently Improving Generalization

Improving the generalization ability of modern deep neural networks (DNNs) is a fundamental challenge in machine learning. Two branches of methods have been proposed to seek flat minima and improve generalization: one led by sharpness-aware minimization (SAM) minimizes the worst-case neighborhood loss through adversarial weight perturbation (AWP), and the other minimizes the expected Bayes objective with random weight perturbation (RWP). While RWP offers advantages in computation and is closely linked to AWP on a mathematical basis, its empirical performance has consistently lagged behind that of AWP. In this paper, we revisit the use of RWP for improving generalization and propose improvements from two perspectives: i) the trade-off between generalization and convergence and ii) the random perturbation generation. Through extensive experimental evaluations, we demonstrate that our enhanced RWP methods achieve greater efficiency in enhancing generalization, particularly in large-scale problems, while also offering comparable or even superior performance to SAM. The code is released at https://github.com/nblt/mARWP.

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arXiv2024

Sparsity via Sparse Group $k$-max Regularization

For the linear inverse problem with sparsity constraints, the $l_0$ regularized problem is NP-hard, and existing approaches either utilize greedy algorithms to find almost-optimal solutions or to approximate the $l_0$ regularization with its convex counterparts. In this paper, we propose a novel and concise regularization, namely the sparse group $k$-max regularization, which can not only simultaneously enhance the group-wise and in-group sparsity, but also casts no additional restraints on the magnitude of variables in each group, which is especially important for variables at different scales, so that it approximate the $l_0$ norm more closely. We also establish an iterative soft thresholding algorithm with local optimality conditions and complexity analysis provided. Through numerical experiments on both synthetic and real-world datasets, we verify the effectiveness and flexibility of the proposed method.

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arXiv2024

Towards Robust Neural Networks via Orthogonal Diversity

Deep Neural Networks (DNNs) are vulnerable to invisible perturbations on the images generated by adversarial attacks, which raises researches on the adversarial robustness of DNNs. A series of methods represented by the adversarial training and its variants have proven as one of the most effective techniques in enhancing the DNN robustness. Generally, adversarial training focuses on enriching the training data by involving perturbed data. Such data augmentation effect of the involved perturbed data in adversarial training does not contribute to the robustness of DNN itself and usually suffers from clean accuracy drop. Towards the robustness of DNN itself, we in this paper propose a novel defense that aims at augmenting the model in order to learn features that are adaptive to diverse inputs, including adversarial examples. More specifically, to augment the model, multiple paths are embedded into the network, and an orthogonality constraint is imposed on these paths to guarantee the diversity among them. A margin-maximization loss is then designed to further boost such DIversity via Orthogonality (DIO). In this way, the proposed DIO augments the model and enhances the robustness of DNN itself as the learned features can be corrected by these mutually-orthogonal paths. Extensive empirical results on various data sets, structures and attacks verify the stronger adversarial robustness of the proposed DIO utilizing model augmentation. Besides, DIO can also be flexibly combined with different data augmentation techniques (e.g., TRADES and DDPM), further promoting robustness gains.

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arXiv2023

Primal-Attention: Self-attention through Asymmetric Kernel SVD in Primal Representation

Recently, a new line of works has emerged to understand and improve self-attention in Transformers by treating it as a kernel machine. However, existing works apply the methods for symmetric kernels to the asymmetric self-attention, resulting in a nontrivial gap between the analytical understanding and numerical implementation. In this paper, we provide a new perspective to represent and optimize self-attention through asymmetric Kernel Singular Value Decomposition (KSVD), which is also motivated by the low-rank property of self-attention normally observed in deep layers. Through asymmetric KSVD, $i$) a primal-dual representation of self-attention is formulated, where the optimization objective is cast to maximize the projection variances in the attention outputs; $ii$) a novel attention mechanism, i.e., Primal-Attention, is proposed via the primal representation of KSVD, avoiding explicit computation of the kernel matrix in the dual; $iii$) with KKT conditions, we prove that the stationary solution to the KSVD optimization in Primal-Attention yields a zero-value objective. In this manner, KSVD optimization can be implemented by simply minimizing a regularization loss, so that low-rank property is promoted without extra decomposition. Numerical experiments show state-of-the-art performance of our Primal-Attention with improved efficiency. Moreover, we demonstrate that the deployed KSVD optimization regularizes Primal-Attention with a sharper singular value decay than that of the canonical self-attention, further verifying the great potential of our method. To the best of our knowledge, this is the first work that provides a primal-dual representation for the asymmetric kernel in self-attention and successfully applies it to modeling and optimization.

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arXiv2023

Low-Rank Multitask Learning based on Tensorized SVMs and LSSVMs

Multitask learning (MTL) leverages task-relatedness to enhance performance. With the emergence of multimodal data, tasks can now be referenced by multiple indices. In this paper, we employ high-order tensors, with each mode corresponding to a task index, to naturally represent tasks referenced by multiple indices and preserve their structural relations. Based on this representation, we propose a general framework of low-rank MTL methods with tensorized support vector machines (SVMs) and least square support vector machines (LSSVMs), where the CP factorization is deployed over the coefficient tensor. Our approach allows to model the task relation through a linear combination of shared factors weighted by task-specific factors and is generalized to both classification and regression problems. Through the alternating optimization scheme and the Lagrangian function, each subproblem is transformed into a convex problem, formulated as a quadratic programming or linear system in the dual form. In contrast to previous MTL frameworks, our decision function in the dual induces a weighted kernel function with a task-coupling term characterized by the similarities of the task-specific factors, better revealing the explicit relations across tasks in MTL. Experimental results validate the effectiveness and superiority of our proposed methods compared to existing state-of-the-art approaches in MTL. The code of implementation will be available at https://github.com/liujiani0216/TSVM-MTL.

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arXiv2023

Nonlinear SVD with Asymmetric Kernels: feature learning and asymmetric Nyström method

Asymmetric data naturally exist in real life, such as directed graphs. Different from the common kernel methods requiring Mercer kernels, this paper tackles the asymmetric kernel-based learning problem. We describe a nonlinear extension of the matrix Singular Value Decomposition through asymmetric kernels, namely KSVD. First, we construct two nonlinear feature mappings w.r.t. rows and columns of the given data matrix. The proposed optimization problem maximizes the variance of each mapping projected onto the subspace spanned by the other, subject to a mutual orthogonality constraint. Through Lagrangian duality, we show that it can be solved by the left and right singular vectors in the feature space induced by the asymmetric kernel. Moreover, we start from the integral equations with a pair of adjoint eigenfunctions corresponding to the singular vectors on an asymmetrical kernel, and extend the Nyström method to asymmetric cases through the finite sample approximation, which can be applied to speedup the training in KSVD. Experiments show that asymmetric KSVD learns features outperforming Mercer-kernel based methods that resort to symmetrization, and also verify the effectiveness of the asymmetric Nyström method.

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arXiv2023

Query Attack by Multi-Identity Surrogates

Deep Neural Networks (DNNs) are acknowledged as vulnerable to adversarial attacks, while the existing black-box attacks require extensive queries on the victim DNN to achieve high success rates. For query-efficiency, surrogate models of the victim are used to generate transferable Adversarial Examples (AEs) because of their Gradient Similarity (GS), i.e., surrogates' attack gradients are similar to the victim's ones. However, it is generally neglected to exploit their similarity on outputs, namely the Prediction Similarity (PS), to filter out inefficient queries by surrogates without querying the victim. To jointly utilize and also optimize surrogates' GS and PS, we develop QueryNet, a unified attack framework that can significantly reduce queries. QueryNet creatively attacks by multi-identity surrogates, i.e., crafts several AEs for one sample by different surrogates, and also uses surrogates to decide on the most promising AE for the query. After that, the victim's query feedback is accumulated to optimize not only surrogates' parameters but also their architectures, enhancing both the GS and the PS. Although QueryNet has no access to pre-trained surrogates' prior, it reduces queries by averagely about an order of magnitude compared to alternatives within an acceptable time, according to our comprehensive experiments: 11 victims (including two commercial models) on MNIST/CIFAR10/ImageNet, allowing only 8-bit image queries, and no access to the victim's training data. The code is available at https://github.com/Sizhe-Chen/QueryNet.

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arXiv2023

Tensorized LSSVMs for Multitask Regression

Multitask learning (MTL) can utilize the relatedness between multiple tasks for performance improvement. The advent of multimodal data allows tasks to be referenced by multiple indices. High-order tensors are capable of providing efficient representations for such tasks, while preserving structural task-relations. In this paper, a new MTL method is proposed by leveraging low-rank tensor analysis and constructing tensorized Least Squares Support Vector Machines, namely the tLSSVM-MTL, where multilinear modelling and its nonlinear extensions can be flexibly exerted. We employ a high-order tensor for all the weights with each mode relating to an index and factorize it with CP decomposition, assigning a shared factor for all tasks and retaining task-specific latent factors along each index. Then an alternating algorithm is derived for the nonconvex optimization, where each resulting subproblem is solved by a linear system. Experimental results demonstrate promising performances of our tLSSVM-MTL.

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