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Rajiv Khanna

Publications and source records attributed to Rajiv Khanna.

At least 37 records · Page 2Linked to original sources

A Precise Characterization of SGD Stability Using Loss Surface Geometry

Stochastic Gradient Descent (SGD) stands as a cornerstone optimization algorithm with proven real-world empirical successes but relatively limited theoretical understanding. Recent research has illuminated a key factor contributing to its practical efficacy: the implicit regularization it instigates. Several studies have investigated the linear stability property of SGD in the vicinity of a stationary point as a predictive proxy for sharpness and generalization error in overparameterized neural networks (Wu et al., 2022; Jastrzebski et al., 2019; Cohen et al., 2021). In this paper, we delve deeper into the relationship between linear stability and sharpness. More specifically, we meticulously delineate the necessary and sufficient conditions for linear stability, contingent on hyperparameters of SGD and the sharpness at the optimum. Towards this end, we introduce a novel coherence measure of the loss Hessian that encapsulates pertinent geometric properties of the loss function that are relevant to the linear stability of SGD. It enables us to provide a simplified sufficient condition for identifying linear instability at an optimum. Notably, compared to previous works, our analysis relies on significantly milder assumptions and is applicable for a broader class of loss functions than known before, encompassing not only mean-squared error but also cross-entropy loss.

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mSAM: Micro-Batch-Averaged Sharpness-Aware Minimization

Modern deep learning models are over-parameterized, where different optima can result in widely varying generalization performance. The Sharpness-Aware Minimization (SAM) technique modifies the fundamental loss function that steers gradient descent methods toward flatter minima, which are believed to exhibit enhanced generalization prowess. Our study delves into a specific variant of SAM known as micro-batch SAM (mSAM). This variation involves aggregating updates derived from adversarial perturbations across multiple shards (micro-batches) of a mini-batch during training. We extend a recently developed and well-studied general framework for flatness analysis to theoretically show that SAM achieves flatter minima than SGD, and mSAM achieves even flatter minima than SAM. We provide a thorough empirical evaluation of various image classification and natural language processing tasks to substantiate this theoretical advancement. We also show that contrary to previous work, mSAM can be implemented in a flexible and parallelizable manner without significantly increasing computational costs. Our implementation of mSAM yields superior generalization performance across a wide range of tasks compared to SAM, further supporting our theoretical framework.

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Generalization Guarantees via Algorithm-dependent Rademacher Complexity

Algorithm- and data-dependent generalization bounds are required to explain the generalization behavior of modern machine learning algorithms. In this context, there exists information theoretic generalization bounds that involve (various forms of) mutual information, as well as bounds based on hypothesis set stability. We propose a conceptually related, but technically distinct complexity measure to control generalization error, which is the empirical Rademacher complexity of an algorithm- and data-dependent hypothesis class. Combining standard properties of Rademacher complexity with the convenient structure of this class, we are able to (i) obtain novel bounds based on the finite fractal dimension, which (a) extend previous fractal dimension-type bounds from continuous to finite hypothesis classes, and (b) avoid a mutual information term that was required in prior work; (ii) we greatly simplify the proof of a recent dimension-independent generalization bound for stochastic gradient descent; and (iii) we easily recover results for VC classes and compression schemes, similar to approaches based on conditional mutual information.

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Feature Space Sketching for Logistic Regression

We present novel bounds for coreset construction, feature selection, and dimensionality reduction for logistic regression. All three approaches can be thought of as sketching the logistic regression inputs. On the coreset construction front, we resolve open problems from prior work and present novel bounds for the complexity of coreset construction methods. On the feature selection and dimensionality reduction front, we initiate the study of forward error bounds for logistic regression. Our bounds are tight up to constant factors and our forward error bounds can be extended to Generalized Linear Models.

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Fast Feature Selection with Fairness Constraints

We study the fundamental problem of selecting optimal features for model construction. This problem is computationally challenging on large datasets, even with the use of greedy algorithm variants. To address this challenge, we extend the adaptive query model, recently proposed for the greedy forward selection for submodular functions, to the faster paradigm of Orthogonal Matching Pursuit for non-submodular functions. The proposed algorithm achieves exponentially fast parallel run time in the adaptive query model, scaling much better than prior work. Furthermore, our extension allows the use of downward-closed constraints, which can be used to encode certain fairness criteria into the feature selection process. We prove strong approximation guarantees for the algorithm based on standard assumptions. These guarantees are applicable to many parametric models, including Generalized Linear Models. Finally, we demonstrate empirically that the proposed algorithm competes favorably with state-of-the-art techniques for feature selection, on real-world and synthetic datasets.

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Generalization Bounds using Lower Tail Exponents in Stochastic Optimizers

Despite the ubiquitous use of stochastic optimization algorithms in machine learning, the precise impact of these algorithms and their dynamics on generalization performance in realistic non-convex settings is still poorly understood. While recent work has revealed connections between generalization and heavy-tailed behavior in stochastic optimization, this work mainly relied on continuous-time approximations; and a rigorous treatment for the original discrete-time iterations is yet to be performed. To bridge this gap, we present novel bounds linking generalization to the lower tail exponent of the transition kernel associated with the optimizer around a local minimum, in both discrete- and continuous-time settings. To achieve this, we first prove a data- and algorithm-dependent generalization bound in terms of the celebrated Fernique-Talagrand functional applied to the trajectory of the optimizer. Then, we specialize this result by exploiting the Markovian structure of stochastic optimizers, and derive bounds in terms of their (data-dependent) transition kernels. We support our theory with empirical results from a variety of neural networks, showing correlations between generalization error and lower tail exponents.

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Geometric Rates of Convergence for Kernel-based Sampling Algorithms

The rate of convergence of weighted kernel herding (WKH) and sequential Bayesian quadrature (SBQ), two kernel-based sampling algorithms for estimating integrals with respect to some target probability measure, is investigated. Under verifiable conditions on the chosen kernel and target measure, we establish a near-geometric rate of convergence for target measures that are nearly atomic. Furthermore, we show these algorithms perform comparably to the theoretical best possible sampling algorithm under the maximum mean discrepancy. An analysis is also conducted in a distributed setting. Our theoretical developments are supported by empirical observations on simulated data as well as a real world application.

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LocalNewton: Reducing Communication Bottleneck for Distributed Learning

To address the communication bottleneck problem in distributed optimization within a master-worker framework, we propose LocalNewton, a distributed second-order algorithm with local averaging. In LocalNewton, the worker machines update their model in every iteration by finding a suitable second-order descent direction using only the data and model stored in their own local memory. We let the workers run multiple such iterations locally and communicate the models to the master node only once every few (say L) iterations. LocalNewton is highly practical since it requires only one hyperparameter, the number L of local iterations. We use novel matrix concentration-based techniques to obtain theoretical guarantees for LocalNewton, and we validate them with detailed empirical evaluation. To enhance practicability, we devise an adaptive scheme to choose L, and we show that this reduces the number of local iterations in worker machines between two model synchronizations as the training proceeds, successively refining the model quality at the master. Via extensive experiments using several real-world datasets with AWS Lambda workers and an AWS EC2 master, we show that LocalNewton requires fewer than 60% of the communication rounds (between master and workers) and less than 40% of the end-to-end running time, compared to state-of-the-art algorithms, to reach the same training~loss.

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Adversarially-Trained Deep Nets Transfer Better: Illustration on Image Classification

Transfer learning has emerged as a powerful methodology for adapting pre-trained deep neural networks on image recognition tasks to new domains. This process consists of taking a neural network pre-trained on a large feature-rich source dataset, freezing the early layers that encode essential generic image properties, and then fine-tuning the last few layers in order to capture specific information related to the target situation. This approach is particularly useful when only limited or weakly labeled data are available for the new task. In this work, we demonstrate that adversarially-trained models transfer better than non-adversarially-trained models, especially if only limited data are available for the new domain task. Further, we observe that adversarial training biases the learnt representations to retaining shapes, as opposed to textures, which impacts the transferability of the source models. Finally, through the lens of influence functions, we discover that transferred adversarially-trained models contain more human-identifiable semantic information, which explains -- at least partly -- why adversarially-trained models transfer better.

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Bayesian Coresets: Revisiting the Nonconvex Optimization Perspective

Bayesian coresets have emerged as a promising approach for implementing scalable Bayesian inference. The Bayesian coreset problem involves selecting a (weighted) subset of the data samples, such that the posterior inference using the selected subset closely approximates the posterior inference using the full dataset. This manuscript revisits Bayesian coresets through the lens of sparsity constrained optimization. Leveraging recent advances in accelerated optimization methods, we propose and analyze a novel algorithm for coreset selection. We provide explicit convergence rate guarantees and present an empirical evaluation on a variety of benchmark datasets to highlight our proposed algorithm's superior performance compared to state-of-the-art on speed and accuracy.

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Boundary thickness and robustness in learning models

Robustness of machine learning models to various adversarial and non-adversarial corruptions continues to be of interest. In this paper, we introduce the notion of the boundary thickness of a classifier, and we describe its connection with and usefulness for model robustness. Thick decision boundaries lead to improved performance, while thin decision boundaries lead to overfitting (e.g., measured by the robust generalization gap between training and testing) and lower robustness. We show that a thicker boundary helps improve robustness against adversarial examples (e.g., improving the robust test accuracy of adversarial training) as well as so-called out-of-distribution (OOD) transforms, and we show that many commonly-used regularization and data augmentation procedures can increase boundary thickness. On the theoretical side, we establish that maximizing boundary thickness during training is akin to the so-called mixup training. Using these observations, we show that noise-augmentation on mixup training further increases boundary thickness, thereby combating vulnerability to various forms of adversarial attacks and OOD transforms. We can also show that the performance improvement in several lines of recent work happens in conjunction with a thicker boundary.

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Improved guarantees and a multiple-descent curve for Column Subset Selection and the Nyström method

The Column Subset Selection Problem (CSSP) and the Nyström method are among the leading tools for constructing small low-rank approximations of large datasets in machine learning and scientific computing. A fundamental question in this area is: how well can a data subset of size k compete with the best rank k approximation? We develop techniques which exploit spectral properties of the data matrix to obtain improved approximation guarantees which go beyond the standard worst-case analysis. Our approach leads to significantly better bounds for datasets with known rates of singular value decay, e.g., polynomial or exponential decay. Our analysis also reveals an intriguing phenomenon: the approximation factor as a function of k may exhibit multiple peaks and valleys, which we call a multiple-descent curve. A lower bound we establish shows that this behavior is not an artifact of our analysis, but rather it is an inherent property of the CSSP and Nyström tasks. Finally, using the example of a radial basis function (RBF) kernel, we show that both our improved bounds and the multiple-descent curve can be observed on real datasets simply by varying the RBF parameter.

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Learning Sparse Distributions using Iterative Hard Thresholding

Iterative hard thresholding (IHT) is a projected gradient descent algorithm, known to achieve state of the art performance for a wide range of structured estimation problems, such as sparse inference. In this work, we consider IHT as a solution to the problem of learning sparse discrete distributions. We study the hardness of using IHT on the space of measures. As a practical alternative, we propose a greedy approximate projection which simultaneously captures appropriate notions of sparsity in distributions, while satisfying the simplex constraint, and investigate the convergence behavior of the resulting procedure in various settings. Our results show, both in theory and practice, that IHT can achieve state of the art results for learning sparse distributions.

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IHT dies hard: Provable accelerated Iterative Hard Thresholding

We study --both in theory and practice-- the use of momentum motions in classic iterative hard thresholding (IHT) methods. By simply modifying plain IHT, we investigate its convergence behavior on convex optimization criteria with non-convex constraints, under standard assumptions. In diverse scenaria, we observe that acceleration in IHT leads to significant improvements, compared to state of the art projected gradient descent and Frank-Wolfe variants. As a byproduct of our inspection, we study the impact of selecting the momentum parameter: similar to convex settings, two modes of behavior are observed --"rippling" and linear-- depending on the level of momentum.

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Boosting Black Box Variational Inference

Approximating a probability density in a tractable manner is a central task in Bayesian statistics. Variational Inference (VI) is a popular technique that achieves tractability by choosing a relatively simple variational family. Borrowing ideas from the classic boosting framework, recent approaches attempt to \emph{boost} VI by replacing the selection of a single density with a greedily constructed mixture of densities. In order to guarantee convergence, previous works impose stringent assumptions that require significant effort for practitioners. Specifically, they require a custom implementation of the greedy step (called the LMO) for every probabilistic model with respect to an unnatural variational family of truncated distributions. Our work fixes these issues with novel theoretical and algorithmic insights. On the theoretical side, we show that boosting VI satisfies a relaxed smoothness assumption which is sufficient for the convergence of the functional Frank-Wolfe (FW) algorithm. Furthermore, we rephrase the LMO problem and propose to maximize the Residual ELBO (RELBO) which replaces the standard ELBO optimization in VI. These theoretical enhancements allow for black box implementation of the boosting subroutine. Finally, we present a stopping criterion drawn from the duality gap in the classic FW analyses and exhaustive experiments to illustrate the usefulness of our theoretical and algorithmic contributions.

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Interpreting Black Box Predictions using Fisher Kernels

Research in both machine learning and psychology suggests that salient examples can help humans to interpret learning models. To this end, we take a novel look at black box interpretation of test predictions in terms of training examples. Our goal is to ask `which training examples are most responsible for a given set of predictions'? To answer this question, we make use of Fisher kernels as the defining feature embedding of each data point, combined with Sequential Bayesian Quadrature (SBQ) for efficient selection of examples. In contrast to prior work, our method is able to seamlessly handle any sized subset of test predictions in a principled way. We theoretically analyze our approach, providing novel convergence bounds for SBQ over discrete candidate atoms. Our approach recovers the application of influence functions for interpretability as a special case yielding novel insights from this connection. We also present applications of the proposed approach to three use cases: cleaning training data, fixing mislabeled examples and data summarization.

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Boosting Variational Inference: an Optimization Perspective

Variational inference is a popular technique to approximate a possibly intractable Bayesian posterior with a more tractable one. Recently, boosting variational inference has been proposed as a new paradigm to approximate the posterior by a mixture of densities by greedily adding components to the mixture. However, as is the case with many other variational inference algorithms, its theoretical properties have not been studied. In the present work, we study the convergence properties of this approach from a modern optimization viewpoint by establishing connections to the classic Frank-Wolfe algorithm. Our analyses yields novel theoretical insights regarding the sufficient conditions for convergence, explicit rates, and algorithmic simplifications. Since a lot of focus in previous works for variational inference has been on tractability, our work is especially important as a much needed attempt to bridge the gap between probabilistic models and their corresponding theoretical properties.

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Restricted Strong Convexity Implies Weak Submodularity

We connect high-dimensional subset selection and submodular maximization. Our results extend the work of Das and Kempe (2011) from the setting of linear regression to arbitrary objective functions. For greedy feature selection, this connection allows us to obtain strong multiplicative performance bounds on several methods without statistical modeling assumptions. We also derive recovery guarantees of this form under standard assumptions. Our work shows that greedy algorithms perform within a constant factor from the best possible subset-selection solution for a broad class of general objective functions. Our methods allow a direct control over the number of obtained features as opposed to regularization parameters that only implicitly control sparsity. Our proof technique uses the concept of weak submodularity initially defined by Das and Kempe. We draw a connection between convex analysis and submodular set function theory which may be of independent interest for other statistical learning applications that have combinatorial structure.

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