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 Statistical Learning







Dynamics of SGD with Stochastic Polyak Stepsizes: Truly Adaptive Variants and Convergence to Exact Solution

Neural Information Processing Systems

The proposed SPS comes with strong convergence guarantees and competitive performance; however, it has two main drawbacks when it is used in non-over-parameterized regimes: (i) It requires a priori knowledge of the optimal mini-batch losses, which are not available when the interpolation condition is not satisfied (e.g., regularized objectives), and (ii) it guarantees convergence only to a neighborhood of the solution. In this work, we study the dynamics and the convergence properties of SGD equipped with new variants of the stochastic Polyak stepsize and provide solutions to both drawbacks of the original SPS. We first show that a simple modification of the original SPS that uses lower bounds instead of the optimal function values can directly solve issue (i). On the other hand, solving issue (ii) turns out to be more challenging and leads us to valuable insights into the method's behavior. We show that if interpolation is not satisfied, the correlation between SPS and stochastic gradients introduces a bias, which effectively distorts the expectation of the gradient signal near minimizers, leading to non-convergence - even if the stepsize is scaled down during training. To fix this issue, we propose DecSPS, a novel modification of SPS, which guarantees convergence to the exact minimizer - without a priori knowledge of the problem parameters. For strongly-convex optimization problems, DecSPS is the first stochastic adaptive optimization method that converges to the exact solution without restrictive assumptions like bounded iterates/gradients.


Can we globally optimize cross validation loss in ridge regression

Neural Information Processing Systems

Models like LASSO and ridge regression are extensively used in practice due to their interpretability, ease of use, and strong theoretical guarantees. Crossvalidation (CV) is widely used for hyperparameter tuning in these models, but do practical optimization methods minimize the true out-of-sample loss? A recent line of research promises to show that the optimum of the CV loss matches the optimum of the out-of-sample loss (possibly after simple corrections). It remains to show how tractable it is to minimize the CV loss. In the present paper, we show that, in the case of ridge regression, the CV loss may fail to be quasiconvex and thus may have multiple local optima. We can guarantee that the CV loss is quasiconvex in at least one case: when the spectrum of the covariate matrix is nearly flat and the noise in the observed responses is not too high. More generally, we show that quasiconvexity status is independent of many properties of the observed data (response norm, covariate-matrix right singular vectors, and singular-value scaling) and has a complex dependence on the few that remain. We empirically confirm our theory using simulated experiments.


Mixability made efficient: Fast online multiclass logistic regression

Neural Information Processing Systems

Mixability has been shown to be a powerful tool to obtain algorithms with optimal regret. However, the resulting methods often suffer from high computational complexity which has reduced their practical applicability. For example, in the case of multiclass logistic regression, the aggregating forecaster (Foster et al. (2018)) achieves a regret of O(log(Bn)) whereas Online Newton Step achieves O(eBlog(n)) obtaining a double exponential gain in B (a bound on the norm of comparative functions). However, this high statistical performance is at the price of a prohibitive computational complexity O(n37). In this paper, we use quadratic surrogates to make aggregating forecasters more efficient. We show that the resulting algorithm has still high statistical performance for a large class of losses. In particular, we derive an algorithm for multi-class logistic regression with a regret bounded by O(Blog(n)) and a computational complexity of only O(n4).


Fast rates for prediction with limited expert advice

Neural Information Processing Systems

We investigate the problem of minimizing the excess generalization error with respect to the best expert prediction in a finite family in the stochastic setting, under limited access to information. We assume that the learner only has access to a limited number of expert advices per training round, as well as for prediction. Assuming that the loss function is Lipschitz and strongly convex, we show that if we are allowed to see the advice of only one expert per round for T rounds in the training phase, or to use the advice of only one expert for prediction in the test phase, the worst-case excess risk is Ω(1/ T) with probability lower bounded by a constant. However, if we are allowed to see at least two actively chosen expert advices per training round and use at least two experts for prediction, the fast rate O(1/T) can be achieved. We design novel algorithms achieving this rate in this setting, and in the setting where the learner has a budget constraint on the total number of observed expert advices, and give precise instance-dependent bounds on the number of training rounds and queries needed to achieve a given generalization error precision.


Hierarchical Probabilistic Principal Component Analysis of Longitudinal Data

arXiv.org Machine Learning

In many longitudinal studies, a large number of variables are measured repeatedly over time, with substantial missing data. Existing methods, such as probabilistic principal component analysis (PPCA), are ill-equipped to handle such incomplete, high-dimensional longitudinal data, as they fail to account for the nested sources of variation and temporal dependency inherent in repeated measures. We introduce hierarchical probabilistic principal component analysis (HPPCA), a two-level probabilistic factor model that explicitly separates between-subject variance from time-varying within-subject dynamics. The within-subject latent factors are modeled by a Gaussian process. We develop an EM algorithm to handle missing data and flexible covariance kernels, accelerated by computationally efficient initializers. Simulation studies demonstrated that HPPCA robustly recovers model parameters subspaces and substantially outperforms both standard PPCA and multivariate functional PCA in imputation accuracy, even under heavy missingness and model misspecification. An application to the long COVID symptoms in the Researching COVID to Enhance Recovery adult cohort revealed that HPPCA effectively captured the data's hierarchical structure and its learned features significantly improved the prediction of clinical outcomes and the recovery of masked clinical records compared to exisiting methods.