Variational Autoencoders (VAE) are widely used for dimensionality reduction of large-scale tabular and image datasets, under the assumption of independence between data observations. In practice, however, datasets are often correlated, with typical sources of correlation including spatial, temporal and clustering structures. Inspired by the literature on linear mixed models (LMM), we propose LMMVAE -- a novel model which separates the classic VAE latent model into fixed and random parts. While the fixed part assumes the latent variables are independent as usual, the random part consists of latent variables which are correlated between similar clusters in the data such as nearby locations or successive measurements. The classic VAE architecture and loss are modified accordingly. LMMVAE is shown to improve squared reconstruction error and negative likelihood loss significantly on unseen data, with simulated as well as real datasets from various applications and correlation scenarios. It also shows improvement in the performance of downstream tasks such as supervised classification on the learned representations.

We present a methodology for using unlabeled data to design semi supervised learning (SSL) methods that improve the prediction performance of supervised learning for regression tasks. The main idea is to design different mechanisms for integrating the unlabeled data, and include in each of them a mixing parameter $\alpha$, controlling the weight given to the unlabeled data. Focusing on Generalized Linear Models (GLM) and linear interpolators classes of models, we analyze the characteristics of different mixing mechanisms, and prove that in all cases, it is invariably beneficial to integrate the unlabeled data with some nonzero mixing ratio $\alpha>0$, in terms of predictive performance. Moreover, we provide a rigorous framework to estimate the best mixing ratio $\alpha^*$ where mixed SSL delivers the best predictive performance, while using the labeled and unlabeled data on hand. The effectiveness of our methodology in delivering substantial improvement compared to the standard supervised models, in a variety of settings, is demonstrated empirically through extensive simulation, in a manner that supports the theoretical analysis. We also demonstrate the applicability of our methodology (with some intuitive modifications) to improve more complex models, such as deep neural networks, in real-world regression tasks.

Modern approaches to supervised learning like deep neural networks (DNNs) typically implicitly assume that observed responses are statistically independent. In contrast, correlated data are prevalent in real-life large-scale applications, with typical sources of correlation including spatial, temporal and clustering structures. These correlations are either ignored by DNNs, or ad-hoc solutions are developed for specific use cases. We propose to use the mixed models framework to handle correlated data in DNNs. By treating the effects underlying the correlation structure as random effects, mixed models are able to avoid overfitted parameter estimates and ultimately yield better predictive performance. The key to combining mixed models and DNNs is using the Gaussian negative log-likelihood (NLL) as a natural loss function that is minimized with DNN machinery including stochastic gradient descent (SGD). Since NLL does not decompose like standard DNN loss functions, the use of SGD with NLL presents some theoretical and implementation challenges, which we address. Our approach which we call LMMNN is demonstrated to improve performance over natural competitors in various correlation scenarios on diverse simulated and real datasets. Our focus is on a regression setting and tabular datasets, but we also show some results for classification. Our code is available at https://github.com/gsimchoni/lmmnn.

This paper presents a new approach for treesbased In this paper we develop a method which combines the regression, such as simple regression tree, concepts of random effects and random fields -- which are random forest and gradient boosting, in settings convenient platforms for analyzing correlated data -- and involving correlated data. We show the problems trees-based models such as: regression tree, random forest that arise when implementing standard treesbased and gradient boosting. The desired result is that the treesbased regression models, which ignore the correlation part results a high prediction accuracy and model structure. Our new approach explicitly selection capabilities and the random effects aspect enables takes the correlation structure into account in the to boost the model performance by utilizing correctly the splitting criterion, stopping rules and fitted values correlation structure and even allows statistical inference.

We present a general methodology for using unlabeled data to design semi supervised learning (SSL) variants of the Empirical Risk Minimization (ERM) learning process. Focusing on generalized linear regression, we provide a careful treatment of the effectiveness of the SSL to improve prediction performance. The key ideas are carefully considering the null model as a competitor, and utilizing the unlabeled data to determine signal-noise combinations where the SSL outperforms both the ERM learning and the null model. In the special case of linear regression with Gaussian covariates, we show that the previously suggested semi-supervised estimator is in fact not capable of improving on both the supervised estimator and the null model simultaneously. However, the new estimator presented in this work, can achieve an improvement of $O(1/n)$ term over both competitors simultaneously. On the other hand, we show that in other scenarios, such as non-Gaussian covariates, misspecified linear regression, or generalized linear regression with non-linear link functions, having unlabeled data can derive substantial improvement in prediction by applying our suggested SSL approach. Moreover, it is possible to identify the usefulness of the SSL, by using the dedicated formulas we establish throughout this work. This is shown empirically through extensive simulations.

Modern deep learning models involve a huge number of parameters. In nearly all applications of these models, current practice suggests that we should design the network to be sufficiently complex so that the model (as trained, typically, by gradient descent) interpolates the data, i.e., achieves zero training error. Indeed, in a thought-provoking experiment, Zhang et al. (2016) showed that state-of-the-art deep neural network architectures can be trained to interpolate the data even when the actual labels are replaced by entirely random ones. Despite their enormous complexity, deep neural networks are frequently seen to generalize well, in meaningful practical problems. At first sight, this seems to defy conventional statistical wisdom: interpolation (vanishing training error) is usually taken to be a proxy for overfitting or poor generalization (large gap between training and test error). In an insightful series of papers, Belkin et al. (2018b,c,a) pointed out that these concepts are, in general, distinct, and interpolation does not contradict generalization. For example, kernel ridge regression is a relatively well-understood setting in which interpolation can coexist with good generalization (Liang and Rakhlin, 2018). In this paper, we examine the prediction risk of minimum l norm or "ridgeless" least squares regression, under

Cross-validation of predictive models is the de-facto standard for model selection and evaluation. In proper use, it provides an unbiased estimate of a model's predictive performance. However, data sets often undergo a preliminary data-dependent transformation, such as feature rescaling or dimensionality reduction, prior to cross-validation. It is widely believed that such a preprocessing stage, if done in an unsupervised manner that does not consider the class labels or response values, has no effect on the validity of cross-validation. In this paper, we show that this belief is not true. Preliminary preprocessing can introduce either a positive or negative bias into the estimates of model performance. Thus, it may lead to sub-optimal choices of model parameters and invalid inference. In light of this, the scientific community should re-examine the use of preliminary preprocessing prior to cross-validation across the various application domains. By default, all data transformations, including unsupervised preprocessing stages, should be learned only from the training samples, and then merely applied to the validation and testing samples.

The problem of handling adaptivity in data analysis, intentional or not, permeates a variety of fields, including test-set overfitting in ML challenges and the accumulation of invalid scientific discoveries. We propose a mechanism for answering an arbitrarily long sequence of potentially adaptive statistical queries, by charging a price for each query and using the proceeds to collect additional samples. Crucially, we guarantee statistical validity without any assumptions on how the queries are generated. We also ensure with high probability that the cost for $M$ non-adaptive queries is $O(\log M)$, while the cost to a potentially adaptive user who makes $M$ queries that do not depend on any others is $O(\sqrt{M})$.

The problem of handling adaptivity in data analysis, intentional or not, permeates a variety of fields, including test-set overfitting in ML challenges and the accumulation of invalid scientific discoveries. We propose a mechanism for answering an arbitrarily long sequence of potentially adaptive statistical queries, by charging a price for each query and using the proceeds to collect additional samples. Crucially, we guarantee statistical validity without any assumptions on how the queries are generated. We also ensure with high probability that the cost for $M$ non-adaptive queries is $O(\log M)$, while the cost to a potentially adaptive user who makes $M$ queries that do not depend on any others is $O(\sqrt{M})$.

We consider the problem of predicting several response variables using the same set of explanatory variables. This setting naturally induces a group structure over the coefficient matrix, in which every explanatory variable corresponds to a set of related coefficients. Most of the existing methods that utilize this group formation assume that the similarities between related coefficients arise solely through a joint sparsity structure. In this paper, we propose a procedure for constructing an estimator of a multivariate regression coefficient matrix that directly models and captures the within-group similarities, by employing a multivariate linear mixed model formulation, with joint estimation of covariance matrices for coefficients and errors via penalized likelihood. Our approach, which we term Multivariate random Regression with Covariance Estimation (MrRCE) encourages structured similarity in parameters, in which coefficients for the same variable in related tasks sharing the same sign and similar magnitude. We illustrate the benefits of our approach in synthetic and real examples, and show that the proposed method outperforms natural competitors and alternative estimators under several model settings.