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In this article, we analyze perinatal data with birth weight (BW) as primarily interesting response variable. Gestational age (GA) is usually an important covariate and included in polynomial form. However, in opposition to this univariate regression, bivariate modeling of BW and GA is recommended to distinguish effects on each, on both, and between them. Rather than a parametric bivariate distribution, we apply conditional copula regression, where marginal distributions of BW and GA (not necessarily of the same form) can be estimated independently, and where the dependence structure is modeled conditional on the covariates separately from these marginals. In the resulting distributional regression models, all parameters of the two marginals and the copula parameter are observation-specific. Besides biometric and obstetric information, data on drinking water contamination and maternal smoking are included as environmental covariates. While the Gaussian distribution is suitable for BW, the skewed GA data are better modeled by the three-parametric Dagum distribution. The Clayton copula performs better than the Gumbel and the symmetric Gaussian copula, indicating lower tail dependence (stronger dependence when both variables are low), although this non-linear dependence between BW and GA is surprisingly weak and only influenced by Cesarean section. A non-linear trend of BW on GA is detected by a classical univariate model that is polynomial with respect to the effect of GA. Linear effects on BW mean are similar in both models, while our distributional copula regression also reveals covariates' effects on all other parameters.

We investigate the calibration of estimations to increase performance with an optimal monotone transform on the estimator outputs. We start by studying the traditional square error setting with its weighted variant and show that the optimal monotone transform is in the form of a unique staircase function. We further show that this staircase behavior is preserved for general strictly convex loss functions. Their optimal monotone transforms are also unique, i.e., there exist a single staircase transform that achieves the minimum loss. We propose a linear time and space algorithm that can find such optimal transforms for specific loss settings. Our algorithm has an online implementation where the optimal transform for the samples observed so far are found in linear space and amortized time when the samples arrive in an ordered fashion. We also extend our results to cases where the functions are not trivial to individually optimize and propose an anytime algorithm, which has linear space and pseudo-linearithmic time complexity.

In real word applications, data generating process for training a machine learning model often differs from what the model encounters in the test stage. Understanding how and whether machine learning models generalize under such distributional shifts have been a theoretical challenge. Here, we study generalization in kernel regression when the training and test distributions are different using methods from statistical physics. Using the replica method, we derive an analytical formula for the out-of-distribution generalization error applicable to any kernel and real datasets. We identify an overlap matrix that quantifies the mismatch between distributions for a given kernel as a key determinant of generalization performance under distribution shift. Using our analytical expressions we elucidate various generalization phenomena including possible improvement in generalization when there is a mismatch. We develop procedures for optimizing training and test distributions for a given data budget to find best and worst case generalizations under the shift. We present applications of our theory to real and synthetic datasets and for many kernels. We compare results of our theory applied to Neural Tangent Kernel with simulations of wide networks and show agreement. We analyze linear regression in further depth.

In this paper, we establish minimax optimal rates of convergence for prediction in a semi-functional linear model that consists of a functional component and a less smooth nonparametric component. Our results reveal that the smoother functional component can be learned with the minimax rate as if the nonparametric component were known. More specifically, a double-penalized least squares method is adopted to estimate both the functional and nonparametric components within the framework of reproducing kernel Hilbert spaces. By virtue of the representer theorem, an efficient algorithm that requires no iterations is proposed to solve the corresponding optimization problem, where the regularization parameters are selected by the generalized cross validation criterion. Numerical studies are provided to demonstrate the effectiveness of the method and to verify the theoretical analysis.

Quantile (and, more generally, KL) regret bounds, such as those achieved by NormalHedge (Chaudhuri, Freund, and Hsu 2009) and its variants, relax the goal of competing against the best individual expert to only competing against a majority of experts on adversarial data. More recently, the semi-adversarial paradigm (Bilodeau, Negrea, and Roy 2020) provides an alternative relaxation of adversarial online learning by considering data that may be neither fully adversarial nor stochastic (i.i.d.). We achieve the minimax optimal regret in both paradigms using FTRL with separate, novel, root-logarithmic regularizers, both of which can be interpreted as yielding variants of NormalHedge. We extend existing KL regret upper bounds, which hold uniformly over target distributions, to possibly uncountable expert classes with arbitrary priors; provide the first full-information lower bounds for quantile regret on finite expert classes (which are tight); and provide an adaptively minimax optimal algorithm for the semi-adversarial paradigm that adapts to the true, unknown constraint faster, leading to uniformly improved regret bounds over existing methods.

Convex regression is the problem of fitting a convex function to a data set consisting of input-output pairs. We present a new approach to this problem called spectrahedral regression, in which we fit a spectrahedral function to the data, i.e. a function that is the maximum eigenvalue of an affine matrix expression of the input. This method represents a significant generalization of polyhedral (also called max-affine) regression, in which a polyhedral function (a maximum of a fixed number of affine functions) is fit to the data. We prove bounds on how well spectrahedral functions can approximate arbitrary convex functions via statistical risk analysis. We also analyze an alternating minimization algorithm for the non-convex optimization problem of fitting the best spectrahedral function to a given data set. We show that this algorithm converges geometrically with high probability to a small ball around the optimal parameter given a good initialization. Finally, we demonstrate the utility of our approach with experiments on synthetic data sets as well as real data arising in applications such as economics and engineering design.

This paper presents an efficient reversible algorithm for linear regression, both with and without ridge regression. Our reversible algorithm matches the asymptotic time and space complexity of standard irreversible algorithms for this problem. Needed for this result is the expansion of the analysis of efficient reversible matrix multiplication to rectangular matrices and matrix inversion.

The training of deep residual neural networks (ResNets) with backpropagation has a memory cost that increases linearly with respect to the depth of the network. A way to circumvent this issue is to use reversible architectures. In this paper, we propose to change the forward rule of a ResNet by adding a momentum term. The resulting networks, momentum residual neural networks (Momentum ResNets), are invertible. Unlike previous invertible architectures, they can be used as a drop-in replacement for any existing ResNet block. We show that Momentum ResNets can be interpreted in the infinitesimal step size regime as second-order ordinary differential equations (ODEs) and exactly characterize how adding momentum progressively increases the representation capabilities of Momentum ResNets. Our analysis reveals that Momentum ResNets can learn any linear mapping up to a multiplicative factor, while ResNets cannot. In a learning to optimize setting, where convergence to a fixed point is required, we show theoretically and empirically that our method succeeds while existing invertible architectures fail. We show on CIFAR and ImageNet that Momentum ResNets have the same accuracy as ResNets, while having a much smaller memory footprint, and show that pre-trained Momentum ResNets are promising for fine-tuning models.

This paper studies task adaptive pre-trained model selection, an \emph{underexplored} problem of assessing pre-trained models so that models suitable for the task can be selected from the model zoo without fine-tuning. A pilot work~\cite{nguyen_leep:_2020} addressed the problem in transferring supervised pre-trained models to classification tasks, but it cannot handle emerging unsupervised pre-trained models or regression tasks. In pursuit of a practical assessment method, we propose to estimate the maximum evidence (marginalized likelihood) of labels given features extracted by pre-trained models. The maximum evidence is \emph{less prone to over-fitting} than the likelihood, and its \emph{expensive computation can be dramatically reduced} by our carefully designed algorithm. The Logarithm of Maximum Evidence (LogME) can be used to assess pre-trained models for transfer learning: a pre-trained model with high LogME is likely to have good transfer performance. LogME is fast, accurate, and general, characterizing it as \emph{the first practical assessment method for transfer learning}. Compared to brute-force fine-tuning, LogME brings over $3000\times$ speedup in wall-clock time. It outperforms prior methods by a large margin in their setting and is applicable to new settings that prior methods cannot deal with. It is general enough to diverse pre-trained models (supervised pre-trained and unsupervised pre-trained), downstream tasks (classification and regression), and modalities (vision and language). Code is at \url{//github.com/thuml/LogME}.

Train machine learning models on sensitive user data has raised increasing privacy concerns in many areas. Federated learning is a popular approach for privacy protection that collects the local gradient information instead of real data. One way to achieve a strict privacy guarantee is to apply local differential privacy into federated learning. However, previous works do not give a practical solution due to three issues. First, the noisy data is close to its original value with high probability, increasing the risk of information exposure. Second, a large variance is introduced to the estimated average, causing poor accuracy. Last, the privacy budget explodes due to the high dimensionality of weights in deep learning models. In this paper, we proposed a novel design of local differential privacy mechanism for federated learning to address the abovementioned issues. It is capable of making the data more distinct from its original value and introducing lower variance. Moreover, the proposed mechanism bypasses the curse of dimensionality by splitting and shuffling model updates. A series of empirical evaluations on three commonly used datasets, MNIST, Fashion-MNIST and CIFAR-10, demonstrate that our solution can not only achieve superior deep learning performance but also provide a strong privacy guarantee at the same time.