arXiv subjects

Johan A. K. Suykens

Publications and source records attributed to Johan A. K. Suykens.

At least 37 records · Page 2Linked to original sources

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.

cs.LG↗

arXiv2023

Extending Kernel PCA through Dualization: Sparsity, Robustness and Fast Algorithms

The goal of this paper is to revisit Kernel Principal Component Analysis (KPCA) through dualization of a difference of convex functions. This allows to naturally extend KPCA to multiple objective functions and leads to efficient gradient-based algorithms avoiding the expensive SVD of the Gram matrix. Particularly, we consider objective functions that can be written as Moreau envelopes, demonstrating how to promote robustness and sparsity within the same framework. The proposed method is evaluated on synthetic and real-world benchmarks, showing significant speedup in KPCA training time as well as highlighting the benefits in terms of robustness and sparsity.

cs.LG↗

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.

cs.LG↗

arXiv2023

Deep Kernel Principal Component Analysis for Multi-level Feature Learning

Principal Component Analysis (PCA) and its nonlinear extension Kernel PCA (KPCA) are widely used across science and industry for data analysis and dimensionality reduction. Modern deep learning tools have achieved great empirical success, but a framework for deep principal component analysis is still lacking. Here we develop a deep kernel PCA methodology (DKPCA) to extract multiple levels of the most informative components of the data. Our scheme can effectively identify new hierarchical variables, called deep principal components, capturing the main characteristics of high-dimensional data through a simple and interpretable numerical optimization. We couple the principal components of multiple KPCA levels, theoretically showing that DKPCA creates both forward and backward dependency across levels, which has not been explored in kernel methods and yet is crucial to extract more informative features. Various experimental evaluations on multiple data types show that DKPCA finds more efficient and disentangled representations with higher explained variance in fewer principal components, compared to the shallow KPCA. We demonstrate that our method allows for effective hierarchical data exploration, with the ability to separate the key generative factors of the input data both for large datasets and when few training samples are available. Overall, DKPCA can facilitate the extraction of useful patterns from high-dimensional data by learning more informative features organized in different levels, giving diversified aspects to explore the variation factors in the data, while maintaining a simple mathematical formulation.

cs.LG↗

arXiv2023

Multi-view Kernel PCA for Time series Forecasting

In this paper, we propose a kernel principal component analysis model for multi-variate time series forecasting, where the training and prediction schemes are derived from the multi-view formulation of Restricted Kernel Machines. The training problem is simply an eigenvalue decomposition of the summation of two kernel matrices corresponding to the views of the input and output data. When a linear kernel is used for the output view, it is shown that the forecasting equation takes the form of kernel ridge regression. When that kernel is non-linear, a pre-image problem has to be solved to forecast a point in the input space. We evaluate the model on several standard time series datasets, perform ablation studies, benchmark with closely related models and discuss its results.

cs.LG↗

arXiv2023

Jigsaw-ViT: Learning Jigsaw Puzzles in Vision Transformer

The success of Vision Transformer (ViT) in various computer vision tasks has promoted the ever-increasing prevalence of this convolution-free network. The fact that ViT works on image patches makes it potentially relevant to the problem of jigsaw puzzle solving, which is a classical self-supervised task aiming at reordering shuffled sequential image patches back to their natural form. Despite its simplicity, solving jigsaw puzzle has been demonstrated to be helpful for diverse tasks using Convolutional Neural Networks (CNNs), such as self-supervised feature representation learning, domain generalization, and fine-grained classification. In this paper, we explore solving jigsaw puzzle as a self-supervised auxiliary loss in ViT for image classification, named Jigsaw-ViT. We show two modifications that can make Jigsaw-ViT superior to standard ViT: discarding positional embeddings and masking patches randomly. Yet simple, we find that Jigsaw-ViT is able to improve both in generalization and robustness over the standard ViT, which is usually rather a trade-off. Experimentally, we show that adding the jigsaw puzzle branch provides better generalization than ViT on large-scale image classification on ImageNet. Moreover, the auxiliary task also improves robustness to noisy labels on Animal-10N, Food-101N, and Clothing1M as well as adversarial examples. Our implementation is available at https://yingyichen-cyy.github.io/Jigsaw-ViT/.

cs.CV↗

arXiv2022

Generalization Properties of hyper-RKHS and its Applications

This paper generalizes regularized regression problems in a hyper-reproducing kernel Hilbert space (hyper-RKHS), illustrates its utility for kernel learning and out-of-sample extensions, and proves asymptotic convergence results for the introduced regression models in an approximation theory view. Algorithmically, we consider two regularized regression models with bivariate forms in this space, including kernel ridge regression (KRR) and support vector regression (SVR) endowed with hyper-RKHS, and further combine divide-and-conquer with Nyström approximation for scalability in large sample cases. This framework is general: the underlying kernel is learned from a broad class, and can be positive definite or not, which adapts to various requirements in kernel learning. Theoretically, we study the convergence behavior of regularized regression algorithms in hyper-RKHS and derive the learning rates, which goes beyond the classical analysis on RKHS due to the non-trivial independence of pairwise samples and the characterisation of hyper-RKHS. Experimentally, results on several benchmarks suggest that the employed framework is able to learn a general kernel function form an arbitrary similarity matrix, and thus achieves a satisfactory performance on classification tasks.

cs.LG↗

arXiv2022

On the Double Descent of Random Features Models Trained with SGD

We study generalization properties of random features (RF) regression in high dimensions optimized by stochastic gradient descent (SGD) in under-/over-parameterized regime. In this work, we derive precise non-asymptotic error bounds of RF regression under both constant and polynomial-decay step-size SGD setting, and observe the double descent phenomenon both theoretically and empirically. Our analysis shows how to cope with multiple randomness sources of initialization, label noise, and data sampling (as well as stochastic gradients) with no closed-form solution, and also goes beyond the commonly-used Gaussian/spherical data assumption. Our theoretical results demonstrate that, with SGD training, RF regression still generalizes well for interpolation learning, and is able to characterize the double descent behavior by the unimodality of variance and monotonic decrease of bias. Besides, we also prove that the constant step-size SGD setting incurs no loss in convergence rate when compared to the exact minimum-norm interpolator, as a theoretical justification of using SGD in practice.

stat.ML↗

arXiv2022

Tensor-based Multi-view Spectral Clustering via Shared Latent Space

Multi-view Spectral Clustering (MvSC) attracts increasing attention due to diverse data sources. However, most existing works are prohibited in out-of-sample predictions and overlook model interpretability and exploration of clustering results. In this paper, a new method for MvSC is proposed via a shared latent space from the Restricted Kernel Machine framework. Through the lens of conjugate feature duality, we cast the weighted kernel principal component analysis problem for MvSC and develop a modified weighted conjugate feature duality to formulate dual variables. In our method, the dual variables, playing the role of hidden features, are shared by all views to construct a common latent space, coupling the views by learning projections from view-specific spaces. Such single latent space promotes well-separated clusters and provides straightforward data exploration, facilitating visualization and interpretation. Our method requires only a single eigendecomposition, whose dimension is independent of the number of views. To boost higher-order correlations, tensor-based modelling is introduced without increasing computational complexity. Our method can be flexibly applied with out-of-sample extensions, enabling greatly improved efficiency for large-scale data with fixed-size kernel schemes. Numerical experiments verify that our method is effective regarding accuracy, efficiency, and interpretability, showing a sharp eigenvalue decay and distinct latent variable distributions.

cs.LG↗

arXiv2022

Compressing Features for Learning with Noisy Labels

Supervised learning can be viewed as distilling relevant information from input data into feature representations. This process becomes difficult when supervision is noisy as the distilled information might not be relevant. In fact, recent research shows that networks can easily overfit all labels including those that are corrupted, and hence can hardly generalize to clean datasets. In this paper, we focus on the problem of learning with noisy labels and introduce compression inductive bias to network architectures to alleviate this over-fitting problem. More precisely, we revisit one classical regularization named Dropout and its variant Nested Dropout. Dropout can serve as a compression constraint for its feature dropping mechanism, while Nested Dropout further learns ordered feature representations w.r.t. feature importance. Moreover, the trained models with compression regularization are further combined with Co-teaching for performance boost. Theoretically, we conduct bias-variance decomposition of the objective function under compression regularization. We analyze it for both single model and Co-teaching. This decomposition provides three insights: (i) it shows that over-fitting is indeed an issue for learning with noisy labels; (ii) through an information bottleneck formulation, it explains why the proposed feature compression helps in combating label noise; (iii) it gives explanations on the performance boost brought by incorporating compression regularization into Co-teaching. Experiments show that our simple approach can have comparable or even better performance than the state-of-the-art methods on benchmarks with real-world label noise including Clothing1M and ANIMAL-10N. Our implementation is available at https://yingyichen-cyy.github.io/CompressFeatNoisyLabels/.

cs.LG↗

arXiv2022

Piecewise Linear Neural Networks and Deep Learning

As a powerful modelling method, PieceWise Linear Neural Networks (PWLNNs) have proven successful in various fields, most recently in deep learning. To apply PWLNN methods, both the representation and the learning have long been studied. In 1977, the canonical representation pioneered the works of shallow PWLNNs learned by incremental designs, but the applications to large-scale data were prohibited. In 2010, the Rectified Linear Unit (ReLU) advocated the prevalence of PWLNNs in deep learning. Ever since, PWLNNs have been successfully applied to extensive tasks and achieved advantageous performances. In this Primer, we systematically introduce the methodology of PWLNNs by grouping the works into shallow and deep networks. Firstly, different PWLNN representation models are constructed with elaborated examples. With PWLNNs, the evolution of learning algorithms for data is presented and fundamental theoretical analysis follows up for in-depth understandings. Then, representative applications are introduced together with discussions and outlooks.

cs.LG↗

arXiv2022

Disentangled Representation Learning and Generation with Manifold Optimization

Disentanglement is a useful property in representation learning which increases the interpretability of generative models such as Variational autoencoders (VAE), Generative Adversarial Models, and their many variants. Typically in such models, an increase in disentanglement performance is traded-off with generation quality. In the context of latent space models, this work presents a representation learning framework that explicitly promotes disentanglement by encouraging orthogonal directions of variations. The proposed objective is the sum of an autoencoder error term along with a Principal Component Analysis reconstruction error in the feature space. This has an interpretation of a Restricted Kernel Machine with the eigenvector matrix-valued on the Stiefel manifold. Our analysis shows that such a construction promotes disentanglement by matching the principal directions in the latent space with the directions of orthogonal variation in data space. In an alternating minimization scheme, we use Cayley ADAM algorithm - a stochastic optimization method on the Stiefel manifold along with the ADAM optimizer. Our theoretical discussion and various experiments show that the proposed model improves over many VAE variants in terms of both generation quality and disentangled representation learning.

cs.LG↗

arXiv2022

Learning with Asymmetric Kernels: Least Squares and Feature Interpretation

Asymmetric kernels naturally exist in real life, e.g., for conditional probability and directed graphs. However, most of the existing kernel-based learning methods require kernels to be symmetric, which prevents the use of asymmetric kernels. This paper addresses the asymmetric kernel-based learning in the framework of the least squares support vector machine named AsK-LS, resulting in the first classification method that can utilize asymmetric kernels directly. We will show that AsK-LS can learn with asymmetric features, namely source and target features, while the kernel trick remains applicable, i.e., the source and target features exist but are not necessarily known. Besides, the computational burden of AsK-LS is as cheap as dealing with symmetric kernels. Experimental results on the Corel database, directed graphs, and the UCI database will show that in the case asymmetric information is crucial, the proposed AsK-LS can learn with asymmetric kernels and performs much better than the existing kernel methods that have to do symmetrization to accommodate asymmetric kernels.

cs.LG↗

arXiv2021

Nyström landmark sampling and regularized Christoffel functions

Selecting diverse and important items, called landmarks, from a large set is a problem of interest in machine learning. As a specific example, in order to deal with large training sets, kernel methods often rely on low rank matrix Nyström approximations based on the selection or sampling of landmarks. In this context, we propose a deterministic and a randomized adaptive algorithm for selecting landmark points within a training data set. These landmarks are related to the minima of a sequence of kernelized Christoffel functions. Beyond the known connection between Christoffel functions and leverage scores, a connection of our method with finite determinantal point processes (DPPs) is also explained. Namely, our construction promotes diversity among important landmark points in a way similar to DPPs. Also, we explain how our randomized adaptive algorithm can influence the accuracy of Kernel Ridge Regression.

cs.LG↗

arXiv2021

Positive semi-definite embedding for dimensionality reduction and out-of-sample extensions

In machine learning or statistics, it is often desirable to reduce the dimensionality of a sample of data points in a high dimensional space $\mathbb{R}^d$. This paper introduces a dimensionality reduction method where the embedding coordinates are the eigenvectors of a positive semi-definite kernel obtained as the solution of an infinite dimensional analogue of a semi-definite program. This embedding is adaptive and non-linear. We discuss this problem both with weak and strong smoothness assumptions about the learned kernel. A main feature of our approach is the existence of an out-of-sample extension formula of the embedding coordinates in both cases. This extrapolation formula yields an extension of the kernel matrix to a data-dependent Mercer kernel function. Our empirical results indicate that this embedding method is more robust with respect to the influence of outliers, compared with a spectral embedding method.

cs.LG↗

arXiv2021

Tensor Network Kalman Filtering for Large-Scale LS-SVMs

Least squares support vector machines are a commonly used supervised learning method for nonlinear regression and classification. They can be implemented in either their primal or dual form. The latter requires solving a linear system, which can be advantageous as an explicit mapping of the data to a possibly infinite-dimensional feature space is avoided. However, for large-scale applications, current low-rank approximation methods can perform inadequately. For example, current methods are probabilistic due to their sampling procedures, and/or suffer from a poor trade-off between the ranks and approximation power. In this paper, a recursive Bayesian filtering framework based on tensor networks and the Kalman filter is presented to alleviate the demanding memory and computational complexities associated with solving large-scale dual problems. The proposed method is iterative, does not require explicit storage of the kernel matrix, and allows the formulation of early stopping conditions. Additionally, the framework yields confidence estimates of obtained models, unlike alternative methods. The performance is tested on two regression and three classification experiments, and compared to the Nyström and fixed size LS-SVM methods. Results show that our method can achieve high performance and is particularly useful when alternative methods are computationally infeasible due to a slowly decaying kernel matrix spectrum.

cs.LG↗

arXiv2021

Leverage Score Sampling for Complete Mode Coverage in Generative Adversarial Networks

Commonly, machine learning models minimize an empirical expectation. As a result, the trained models typically perform well for the majority of the data but the performance may deteriorate in less dense regions of the dataset. This issue also arises in generative modeling. A generative model may overlook underrepresented modes that are less frequent in the empirical data distribution. This problem is known as complete mode coverage. We propose a sampling procedure based on ridge leverage scores which significantly improves mode coverage when compared to standard methods and can easily be combined with any GAN. Ridge leverage scores are computed by using an explicit feature map, associated with the next-to-last layer of a GAN discriminator or of a pre-trained network, or by using an implicit feature map corresponding to a Gaussian kernel. Multiple evaluations against recent approaches of complete mode coverage show a clear improvement when using the proposed sampling strategy.

cs.LG↗

arXiv2021

Random Features for Kernel Approximation: A Survey on Algorithms, Theory, and Beyond

Random features is one of the most popular techniques to speed up kernel methods in large-scale problems. Related works have been recognized by the NeurIPS Test-of-Time award in 2017 and the ICML Best Paper Finalist in 2019. The body of work on random features has grown rapidly, and hence it is desirable to have a comprehensive overview on this topic explaining the connections among various algorithms and theoretical results. In this survey, we systematically review the work on random features from the past ten years. First, the motivations, characteristics and contributions of representative random features based algorithms are summarized according to their sampling schemes, learning procedures, variance reduction properties and how they exploit training data. Second, we review theoretical results that center around the following key question: how many random features are needed to ensure a high approximation quality or no loss in the empirical/expected risks of the learned estimator. Third, we provide a comprehensive evaluation of popular random features based algorithms on several large-scale benchmark datasets and discuss their approximation quality and prediction performance for classification. Last, we discuss the relationship between random features and modern over-parameterized deep neural networks (DNNs), including the use of high dimensional random features in the analysis of DNNs as well as the gaps between current theoretical and empirical results. This survey may serve as a gentle introduction to this topic, and as a users' guide for practitioners interested in applying the representative algorithms and understanding theoretical results under various technical assumptions. We hope that this survey will facilitate discussion on the open problems in this topic, and more importantly, shed light on future research directions.

stat.ML↗