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 Performance Analysis


A non-asymptotic theory of Kernel Ridge Regression: deterministic equivalents, test error, and GCV estimator

arXiv.org Machine Learning

We consider learning an unknown target function $f_*$ using kernel ridge regression (KRR) given i.i.d. data $(u_i,y_i)$, $i\leq n$, where $u_i \in U$ is a covariate vector and $y_i = f_* (u_i) +\varepsilon_i \in \mathbb{R}$. A recent string of work has empirically shown that the test error of KRR can be well approximated by a closed-form estimate derived from an `equivalent' sequence model that only depends on the spectrum of the kernel operator. However, a theoretical justification for this equivalence has so far relied either on restrictive assumptions -- such as subgaussian independent eigenfunctions -- , or asymptotic derivations for specific kernels in high dimensions. In this paper, we prove that this equivalence holds for a general class of problems satisfying some spectral and concentration properties on the kernel eigendecomposition. Specifically, we establish in this setting a non-asymptotic deterministic approximation for the test error of KRR -- with explicit non-asymptotic bounds -- that only depends on the eigenvalues and the target function alignment to the eigenvectors of the kernel. Our proofs rely on a careful derivation of deterministic equivalents for random matrix functionals in the dimension free regime pioneered by Cheng and Montanari (2022). We apply this setting to several classical examples and show an excellent agreement between theoretical predictions and numerical simulations. These results rely on having access to the eigendecomposition of the kernel operator. Alternatively, we prove that, under this same setting, the generalized cross-validation (GCV) estimator concentrates on the test error uniformly over a range of ridge regularization parameter that includes zero (the interpolating solution). As a consequence, the GCV estimator can be used to estimate from data the test error and optimal regularization parameter for KRR.


Learning with Group Invariant Features: A Kernel Perspective

Neural Information Processing Systems

We analyze in this paper a random feature map based on a theory of invariance (I-theory) introduced in [1]. More specifically, a group invariant signal signature is obtained through cumulative distributions of group-transformed random projections. Our analysis bridges invariant feature learning with kernel methods, as we show that this feature map defines an expected Haar-integration kernel that is invariant to the specified group action. We show how this non-linear random feature map approximates this group invariant kernel uniformly on a set of N points. Moreover, we show that it defines a function space that is dense in the equivalent Invariant Reproducing Kernel Hilbert Space. Finally, we quantify error rates of the convergence of the empirical risk minimization, as well as the reduction in the sample complexity of a learning algorithm using such an invariant representation for signal classification, in a classical supervised learning setting.


Analysis of Robust PCA via Local Incoherence

Neural Information Processing Systems

We investigate the robust PCA problem of decomposing an observed matrix into the sum of a low-rank and a sparse error matrices via convex programming Principal Component Pursuit (PCP). In contrast to previous studies that assume the support of the error matrix is generated by uniform Bernoulli sampling, we allow non-uniform sampling, i.e., entries of the low-rank matrix are corrupted by errors with unequal probabilities. We characterize conditions on error corruption of each individual entry based on the local incoherence of the low-rank matrix, under which correct matrix decomposition by PCP is guaranteed. Such a refined analysis of robust PCA captures how robust each entry of the low rank matrix combats error corruption. In order to deal with non-uniform error corruption, our technical proof introduces a new weighted norm and develops/exploits the concentration properties that such a norm satisfies.


Sparse Local Embeddings for Extreme Multi-label Classification

Neural Information Processing Systems

The objective in extreme multi-label learning is to train a classifier that can automatically tag a novel data point with the most relevant subset of labels from an extremely large label set. Embedding based approaches attempt to make training and prediction tractable by assuming that the training label matrix is low-rank and reducing the effective number of labels by projecting the high dimensional label vectors onto a low dimensional linear subspace. Still, leading embedding approaches have been unable to deliver high prediction accuracies, or scale to large problems as the low rank assumption is violated in most real world applications. In this paper we develop the SLEEC classifier to address both limitations. The main technical contribution in SLEEC is a formulation for learning a small ensemble of local distance preserving embeddings which can accurately predict infrequently occurring (tail) labels. This allows SLEEC to break free of the traditional low-rank assumption and boost classification accuracy by learning embeddings which preserve pairwise distances between only the nearest label vectors. We conducted extensive experiments on several real-world, as well as benchmark data sets and compared our method against state-of-the-art methods for extreme multi-label classification. Experiments reveal that SLEEC can make significantly more accurate predictions then the state-of-the-art methods including both embedding-based (by as much as 35%) as well as tree-based (by as much as 6%) methods. SLEEC can also scale efficiently to data sets with a million labels which are beyond the pale of leading embedding methods.


Precision-Recall-Gain Curves: PR Analysis Done Right Peter A. Flach

Neural Information Processing Systems

Precision-Recall analysis abounds in applications of binary classification where true negatives do not add value and hence should not affect assessment of the classifier's performance. Perhaps inspired by the many advantages of receiver operating characteristic (ROC) curves and the area under such curves for accuracybased performance assessment, many researchers have taken to report Precision-Recall (PR) curves and associated areas as performance metric. We demonstrate in this paper that this practice is fraught with difficulties, mainly because of incoherent scale assumptions - e.g., the area under a PR curve takes the arithmetic mean of precision values whereas the F


A Framework for Individualizing Predictions of Disease Trajectories by Exploiting Multi-Resolution Structure

Neural Information Processing Systems

For many complex diseases, there is a wide variety of ways in which an individual can manifest the disease. The challenge of personalized medicine is to develop tools that can accurately predict the trajectory of an individual's disease, which can in turn enable clinicians to optimize treatments. We represent an individual's disease trajectory as a continuous-valued continuous-time function describing the severity of the disease over time. We propose a hierarchical latent variable model that individualizes predictions of disease trajectories.


Testing for Differences in Gaussian Graphical Models: Applications to Brain Connectivity Eugene Belilovsky University of Paris-Saclay, 2

Neural Information Processing Systems

Functional brain networks are well described and estimated from data with Gaussian Graphical Models (GGMs), e.g. using sparse inverse covariance estimators. Comparing functional connectivity of subjects in two populations calls for comparing these estimated GGMs. Our goal is to identify differences in GGMs known to have similar structure. We characterize the uncertainty of differences with confidence intervals obtained using a parametric distribution on parameters of a sparse estimator. Sparse penalties enable statistical guarantees and interpretable models even in high-dimensional and low-sample settings. Characterizing the distributions of sparse models is inherently challenging as the penalties produce a biased estimator.


Semiparametric Differential Graph Models

Neural Information Processing Systems

In many cases of network analysis, it is more attractive to study how a network varies under different conditions than an individual static network. We propose a novel graphical model, namely Latent Differential Graph Model, where the networks under two different conditions are represented by two semiparametric elliptical distributions respectively, and the variation of these two networks (i.e., differential graph) is characterized by the difference between their latent precision matrices. We propose an estimator for the differential graph based on quasi likelihood maximization with nonconvex regularization. We show that our estimator attains a faster statistical rate in parameter estimation than the state-of-the-art methods, and enjoys the oracle property under mild conditions. Thorough experiments on both synthetic and real world data support our theory.


Efficient High-Order Interaction-Aware Feature Selection Based on Conditional Mutual Information

Neural Information Processing Systems

This study introduces a novel feature selection approach CMICOT, which is a further evolution of filter methods with sequential forward selection (SFS) whose scoring functions are based on conditional mutual information (MI). We state and study a novel saddle point (max-min) optimization problem to build a scoring function that is able to identify joint interactions between several features. This method fills the gap of MI-based SFS techniques with high-order dependencies. In this high-dimensional case, the estimation of MI has prohibitively high sample complexity. We mitigate this cost using a greedy approximation and binary representatives what makes our technique able to be effectively used. The superiority of our approach is demonstrated by comparison with recently proposed interactionaware filters and several interaction-agnostic state-of-the-art ones on ten publicly available benchmark datasets.


Stochastic Online AUC Maximization Department of Mathematics and Statistics SUNY at Albany, Albany, NY, 12222, USA Department of Computer Science SUNY at Albany, Albany, NY, 12222, USA

Neural Information Processing Systems

Area under ROC (AUC) is a metric which is widely used for measuring the classification performance for imbalanced data. It is of theoretical and practical interest to develop online learning algorithms that maximizes AUC for large-scale data. A specific challenge in developing online AUC maximization algorithm is that the learning objective function is usually defined over a pair of training examples of opposite classes, and existing methods achieves on-line processing with higher space and time complexity. In this work, we propose a new stochastic online algorithm for AUC maximization. In particular, we show that AUC optimization can be equivalently formulated as a convex-concave saddle point problem. From this saddle representation, a stochastic online algorithm (SOLAM) is proposed which has time and space complexity of one datum. We establish theoretical convergence of SOLAM with high probability and demonstrate its effectiveness on standard benchmark datasets.