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We study the theory of neural network (NN) from the lens of classical nonparametric regression problems with a focus on NN's ability to adaptively estimate functions with heterogeneous smoothness --- a property of functions in Besov or Bounded Variation (BV) classes. Existing work on this problem requires tuning the NN architecture based on the function spaces and sample sizes. We consider a "Parallel NN" variant of deep ReLU networks and show that the standard weight decay is equivalent to promoting the $\ell_p$-sparsity ($0<p<1$) of the coefficient vector of an end-to-end learned function bases, i.e., a dictionary. Using this equivalence, we further establish that by tuning only the weight decay, such Parallel NN achieves an estimation error arbitrarily close to the minimax rates for both the Besov and BV classes. Notably, it gets exponentially closer to minimax optimal as the NN gets deeper. Our research sheds new lights on why depth matters and how NNs are more powerful than kernel methods.

We introduce a new constrained optimization method for policy gradient reinforcement learning, which uses two trust regions to regulate each policy update. In addition to using the proximity of one single old policy as the first trust region as done by prior works, we propose to form a second trust region through the construction of another virtual policy that represents a wide range of past policies. We then enforce the new policy to stay closer to the virtual policy, which is beneficial in case the old policy performs badly. More importantly, we propose a mechanism to automatically build the virtual policy from a memory buffer of past policies, providing a new capability for dynamically selecting appropriate trust regions during the optimization process. Our proposed method, dubbed as Memory-Constrained Policy Optimization (MCPO), is examined on a diverse suite of environments including robotic locomotion control, navigation with sparse rewards and Atari games, consistently demonstrating competitive performance against recent on-policy constrained policy gradient methods.

We consider the problem of training a classification model with group annotated training data. Recent work has established that, if there is distribution shift across different groups, models trained using the standard empirical risk minimization (ERM) objective suffer from poor performance on minority groups and that group distributionally robust optimization (Group-DRO) objective is a better alternative. The starting point of this paper is the observation that though Group-DRO performs better than ERM on minority groups for some benchmark datasets, there are several other datasets where it performs much worse than ERM. Inspired by ideas from the closely related problem of domain generalization, this paper proposes a new and simple algorithm that explicitly encourages learning of features that are shared across various groups. The key insight behind our proposed algorithm is that while Group-DRO focuses on groups with worst regularized loss, focusing instead, on groups that enable better performance even on other groups, could lead to learning of shared/common features, thereby enhancing minority performance beyond what is achieved by Group-DRO. Empirically, we show that our proposed algorithm matches or achieves better performance compared to strong contemporary baselines including ERM and Group-DRO on standard benchmarks on both minority groups and across all groups. Theoretically, we show that the proposed algorithm is a descent method and finds first order stationary points of smooth nonconvex functions.

We present AUQ-ADMM, an adaptive uncertainty-weighted consensus ADMM method for solving large-scale convex optimization problems in a distributed manner. Our key contribution is a novel adaptive weighting scheme that empirically increases the progress made by consensus ADMM scheme and is attractive when using a large number of subproblems. The weights are related to the uncertainty associated with the solutions of each subproblem, and are efficiently computed using low-rank approximations. We show AUQ-ADMM provably converges and demonstrate its effectiveness on a series of machine learning applications, including elastic net regression, multinomial logistic regression, and support vector machines. We provide an implementation based on the PyTorch package.

We propose the AdaPtive Noise Augmentation (PANDA) procedure to regularize the estimation and inference of generalized linear models (GLMs). PANDA iteratively optimizes the objective function given noise augmented data until convergence to obtain the regularized model estimates. The augmented noises are designed to achieve various regularization effects, including $l_0$, bridge (lasso and ridge included), elastic net, adaptive lasso, and SCAD, as well as group lasso and fused ridge. We examine the tail bound of the noise-augmented loss function and establish the almost sure convergence of the noise-augmented loss function and its minimizer to the expected penalized loss function and its minimizer, respectively. We derive the asymptotic distributions for the regularized parameters, based on which, inferences can be obtained simultaneously with variable selection. PANDA exhibits ensemble learning behaviors that help further decrease the generalization error. Computationally, PANDA is easy to code, leveraging existing software for implementing GLMs, without resorting to complicated optimization techniques. We demonstrate the superior or similar performance of PANDA against the existing approaches of the same type of regularizers in simulated and real-life data. We show that the inferences through PANDA achieve nominal or near-nominal coverage and are far more efficient compared to a popular existing post-selection procedure.

Real-time coordination of distributed energy resources (DERs) is crucial for regulating the voltage profile in distribution grids. By capitalizing on a scalable neural network (NN) architecture, one can attain decentralized DER decisions to address the lack of real-time communications. This paper develops an advanced learning-enabled DER coordination scheme by accounting for the potential risks associated with reactive power prediction and voltage deviation. Such risks are quantified by the conditional value-at-risk (CVaR) using the worst-case samples only, and we propose a mini-batch selection algorithm to address the training speed issue in minimizing the CVaR-regularized loss. Numerical tests using real-world data on the IEEE 123-bus test case have demonstrated the computation and safety improvements of the proposed risk-aware learning algorithm for decentralized DER decision making, especially in terms of reducing feeder voltage violations.

Covariance estimation for matrix-valued data has received an increasing interest in applications. Unlike previous works that rely heavily on matrix normal distribution assumption and the requirement of fixed matrix size, we propose a class of distribution-free regularized covariance estimation methods for high-dimensional matrix data under a separability condition and a bandable covariance structure. Under these conditions, the original covariance matrix is decomposed into a Kronecker product of two bandable small covariance matrices representing the variability over row and column directions. We formulate a unified framework for estimating bandable covariance, and introduce an efficient algorithm based on rank one unconstrained Kronecker product approximation. The convergence rates of the proposed estimators are established, and the derived minimax lower bound shows our proposed estimator is rate-optimal under certain divergence regimes of matrix size. We further introduce a class of robust covariance estimators and provide theoretical guarantees to deal with heavy-tailed data. We demonstrate the superior finite-sample performance of our methods using simulations and real applications from a gridded temperature anomalies dataset and a S&P 500 stock data analysis.

The naive importance sampling (IS) estimator generally does not work well in examples involving simultaneous inference on several targets, as the importance weights can take arbitrarily large values, making the estimator highly unstable. In such situations, alternative multiple IS estimators involving samples from multiple proposal distributions are preferred. Just like the naive IS, the success of these multiple IS estimators crucially depends on the choice of the proposal distributions. The selection of these proposal distributions is the focus of this article. We propose three methods: (i) a geometric space filling approach, (ii) a minimax variance approach, and (iii) a maximum entropy approach. The first two methods are applicable to any IS estimator, whereas the third approach is described in the context of Doss's (2010) two-stage IS estimator. For the first method, we propose a suitable measure of 'closeness' based on the symmetric Kullback-Leibler divergence, while the second and third approaches use estimates of asymptotic variances of Doss's (2010) IS estimator and Geyer's (1994) reverse logistic regression estimator, respectively. Thus, when samples from the proposal distributions are obtained by running Markov chains, we provide consistent spectral variance estimators for these asymptotic variances. The proposed methods for selecting proposal densities are illustrated using various detailed examples.

Recently, federated learning has emerged as a promising approach for training a global model using data from multiple organizations without leaking their raw data. Nevertheless, directly applying federated learning to real-world tasks faces two challenges: (1) heterogeneity in the data among different organizations; and (2) data noises inside individual organizations. In this paper, we propose a general framework to solve the above two challenges simultaneously. Specifically, we propose using distributionally robust optimization to mitigate the negative effects caused by data heterogeneity paradigm to sample clients based on a learnable distribution at each iteration. Additionally, we observe that this optimization paradigm is easily affected by data noises inside local clients, which has a significant performance degradation in terms of global model prediction accuracy. To solve this problem, we propose to incorporate mixup techniques into the local training process of federated learning. We further provide comprehensive theoretical analysis including robustness analysis, convergence analysis, and generalization ability. Furthermore, we conduct empirical studies across different drug discovery tasks, such as ADMET property prediction and drug-target affinity prediction.

This paper serves as a survey of recent advances in large margin training and its theoretical foundations, mostly for (nonlinear) deep neural networks (DNNs) that are probably the most prominent machine learning models for large-scale data in the community over the past decade. We generalize the formulation of classification margins from classical research to latest DNNs, summarize theoretical connections between the margin, network generalization, and robustness, and introduce recent efforts in enlarging the margins for DNNs comprehensively. Since the viewpoint of different methods is discrepant, we categorize them into groups for ease of comparison and discussion in the paper. Hopefully, our discussions and overview inspire new research work in the community that aim to improve the performance of DNNs, and we also point to directions where the large margin principle can be verified to provide theoretical evidence why certain regularizations for DNNs function well in practice. We managed to shorten the paper such that the crucial spirit of large margin learning and related methods are better emphasized.