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 Statistical Learning


Horospherical Decision Boundaries for Large Margin Classification in Hyperbolic Space

Neural Information Processing Systems

Hyperbolic spaces have been quite popular in the recent past for representing hierarchically organized data. Further, several classification algorithms for data in these spaces have been proposed in the literature. These algorithms mainly use either hyperplanes or geodesics for decision boundaries in a large margin classifiers setting leading to a non-convex optimization problem. In this paper, we propose a novel large margin classifier based on horospherical decision boundaries that leads to a geodesically convex optimization problem that can be optimized using any Riemannian gradient descent technique guaranteeing a globally optimal solution.


Selecting Optimal Decisions via Distributionally Robust Nearest-Neighbor Regression

Neural Information Processing Systems

This paper develops a prediction-based prescriptive model for optimal decision making that (i) predicts the outcome under each action using a robust nonlinear model, and (ii) adopts a randomized prescriptive policy determined by the predicted outcomes. The predictive model combines a new regularized regression technique, which was developed using Distributionally Robust Optimization (DRO) with an ambiguity set constructed from the Wasserstein metric, with the K-Nearest Neighbors (K-NN) regression, which helps to capture the nonlinearity embedded in the data. We show theoretical results that guarantee the out-of-sample performance of the predictive model, and prove the optimality of the randomized policy in terms of the expected true future outcome. We demonstrate the proposed methodology on a hypertension dataset, showing that our prescribed treatment leads to a larger reduction in the systolic blood pressure compared to a series of alternatives. A clinically meaningful threshold level used to activate the randomized policy is also derived under a sub-Gaussian assumption on the predicted outcome.


GANSpace: Discovering Interpretable GAN Controls

Neural Information Processing Systems

This paper describes a simple technique to analyze Generative Adversarial Networks (GANs) and create interpretable controls for image synthesis, such as change of viewpoint, aging, lighting, and time of day. We identify important latent directions based on Principal Component Analysis (PCA) applied either in latent space or feature space. Then, we show that a large number of interpretable controls can be defined by layer-wise perturbation along the principal directions. Moreover, we show that BigGAN can be controlled with layer-wise inputs in a StyleGAN-like manner. We show results on different GANs trained on various datasets, and demonstrate good qualitative matches to edit directions found through earlier supervised approaches.


Generalization Bound of Gradient Descent for Non-Convex Metric Learning

Neural Information Processing Systems

Metric learning aims to learn a distance measure that can benefit distance-based methods such as the nearest neighbour (NN) classifier. While considerable efforts have been made to improve its empirical performance and analyze its generalization ability by focusing on the data structure and model complexity, an unresolved question is how choices of algorithmic parameters, such as the number of training iterations, affect metric learning as it is typically formulated as an optimization problem and nowadays more often as a non-convex problem. In this paper, we theoretically address this question and prove the agnostic Probably Approximately Correct (PAC) learnability for metric learning algorithms with non-convex objective functions optimized via gradient descent (GD); in particular, our theoretical guarantee takes the iteration number into account. We first show that the generalization PAC bound is a sufficient condition for agnostic PAC learnability and this bound can be obtained by ensuring the uniform convergence on a densely concentrated subset of the parameter space. We then show that, for classifiers optimized via GD, their generalizability can be guaranteed if the classifier and loss function are both Lipschitz smooth, and further improved by using fewer iterations.


Sparsity-Preserving Differentially Private Training of Large Embedding Models

Neural Information Processing Systems

As the use of large embedding models in recommendation systems and language applications increases, concerns over user data privacy have also risen. DP-SGD, a training algorithm that combines differential privacy with stochastic gradient descent, has been the workhorse in protecting user privacy without compromising model accuracy by much. However, applying DP-SGD naively to embedding models can destroy gradient sparsity, leading to reduced training efficiency. To address this issue, we present two new algorithms, DP-FEST and DP-AdaFEST, that preserve gradient sparsity during the private training of large embedding models. Our algorithms achieve substantial reductions ( 10 6 \times) in gradient size, while maintaining comparable levels of accuracy, on benchmark real-world datasets.


Sampling without Replacement Leads to Faster Rates in Finite-Sum Minimax Optimization

Neural Information Processing Systems

We analyze the convergence rates of stochastic gradient algorithms for smooth finite-sum minimax optimization and show that, for many such algorithms, sampling the data points \emph{without replacement} leads to faster convergence compared to sampling with replacement. For the smooth and strongly convex-strongly concave setting, we consider gradient descent ascent and the proximal point method, and present a unified analysis of two popular without-replacement sampling strategies, namely \emph{Random Reshuffling} (RR), which shuffles the data every epoch, and \emph{Single Shuffling} or \emph{Shuffle Once} (SO), which shuffles only at the beginning. We obtain tight convergence rates for RR and SO and demonstrate that these strategies lead to faster convergence than uniform sampling. Moving beyond convexity, we obtain similar results for smooth nonconvex-nonconcave objectives satisfying a two-sided Polyak-\L{}ojasiewicz inequality. Finally, we demonstrate that our techniques are general enough to analyze the effect of \emph{data-ordering attacks}, where an adversary manipulates the order in which data points are supplied to the optimizer.


Beyond temperature scaling: Obtaining well-calibrated multi-class probabilities with Dirichlet calibration

Neural Information Processing Systems

Class probabilities predicted by most multiclass classifiers are uncalibrated, often tending towards over-confidence. With neural networks, calibration can be improved by temperature scaling, a method to learn a single corrective multiplicative factor for inputs to the last softmax layer. On non-neural models the existing methods apply binary calibration in a pairwise or one-vs-rest fashion. We propose a natively multiclass calibration method applicable to classifiers from any model class, derived from Dirichlet distributions and generalising the beta calibration method from binary classification. It is easily implemented with neural nets since it is equivalent to log-transforming the uncalibrated probabilities, followed by one linear layer and softmax.


Non-reversible Gaussian processes for identifying latent dynamical structure in neural data

Neural Information Processing Systems

A common goal in the analysis of neural data is to compress large population recordings into sets of interpretable, low-dimensional latent trajectories. This problem can be approached using Gaussian process (GP)-based methods which provide uncertainty quantification and principled model selection. However, standard GP priors do not distinguish between underlying dynamical processes and other forms of temporal autocorrelation. Here, we propose a new family of "dynamical" priors over trajectories, in the form of GP covariance functions that express a property shared by most dynamical systems: temporal non-reversibility. Non-reversibility is a universal signature of autonomous dynamical systems whose state trajectories follow consistent flow fields, such that any observed trajectory could not occur in reverse.


The Pitfalls of Simplicity Bias in Neural Networks

Neural Information Processing Systems

Several works have proposed Simplicity Bias (SB)---the tendency of standard training procedures such as Stochastic Gradient Descent (SGD) to find simple models---to justify why neural networks generalize well [Arpit et al. 2017, Nakkiran et al. 2019, Valle-Perez et al. 2019]. However, the precise notion of simplicity remains vague. Furthermore, previous settings [Soudry et al. 2018, Gunasekar et al. 2018] that use SB to theoretically justify why neural networks generalize well do not simultaneously capture the non-robustness of neural networks---a widely observed phenomenon in practice [Goodfellow et al. 2014, Jo and Bengio 2017]. We attempt to reconcile SB and the superior standard generalization of neural networks with the non-robustness observed in practice by introducing piecewise-linear and image-based datasets, which (a) incorporate a precise notion of simplicity, (b) comprise multiple predictive features with varying levels of simplicity, and (c) capture the non-robustness of neural networks trained on real data. Using theory and empirics on these datasets, we make four observations: (i) SB of SGD and variants can be extreme: neural networks can exclusively rely on the simplest feature and remain invariant to all predictive complex features. Given the role of SB in training neural networks, we hope that the proposed datasets and methods serve as an effective testbed to evaluate novel algorithmic approaches aimed at avoiding the pitfalls of SB.


Dynamical mean-field theory for stochastic gradient descent in Gaussian mixture classification

Neural Information Processing Systems

We analyze in a closed form the learning dynamics of stochastic gradient descent (SGD) for a single layer neural network classifying a high-dimensional Gaussian mixture where each cluster is assigned one of two labels. This problem provides a prototype of a non-convex loss landscape with interpolating regimes and a large generalization gap. We define a particular stochastic process for which SGD can be extended to a continuous-time limit that we call stochastic gradient flow. In the full-batch limit we recover the standard gradient flow. We apply dynamical mean-field theory from statistical physics to track the dynamics of the algorithm in the high-dimensional limit via a self-consistent stochastic process.