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 Statistical Learning


An Analysis of Constant Step Size SGD in the Non-convex Regime: Asymptotic Normality and Bias

Neural Information Processing Systems

Structured non-convex learning problems, for which critical points have favorable statistical properties, arise frequently in statistical machine learning. Algorithmic convergence and statistical estimation rates are well-understood for such problems. However, quantifying the uncertainty associated with the underlying training algorithm is not well-studied in the non-convex setting. In order to address this shortcoming, in this work, we establish an asymptotic normality result for the constant step size stochastic gradient descent (SGD) algorithm---a widely used algorithm in practice. Specifically, based on the relationship between SGD and Markov Chains [DDB19], we show that the average of SGD iterates is asymptotically normally distributed around the expected value of their unique invariant distribution, as long as the non-convex and non-smooth objective function satisfies a dissipativity property. We also characterize the bias between this expected value and the critical points of the objective function under various local regularity conditions.


Stochastic Optimization Schemes for Performative Prediction with Nonconvex Loss

Neural Information Processing Systems

This paper studies a risk minimization problem with decision dependent data distribution. The problem pertains to the performative prediction setting in which a trained model can affect the outcome estimated by the model. Such dependency creates a feedback loop that influences the stability of optimization algorithms such as stochastic gradient descent (SGD). We present the first study on performative prediction with smooth but possibly non-convex loss. We analyze a greedy deployment scheme with SGD (SGD-GD).


Stability and Generalization of Asynchronous SGD: Sharper Bounds Beyond Lipschitz and Smoothness

Neural Information Processing Systems

Asynchronous stochastic gradient descent (ASGD) has evolved into an indispensable optimization algorithm for training modern large-scale distributed machine learning tasks. Therefore, it is imperative to explore the generalization performance of the ASGD algorithm. However, the existing results are either pessimistic and vacuous or restricted by strict assumptions that fail to reveal the intrinsic impact of asynchronous training on generalization. In this study, we establish sharper stability and generalization bounds for ASGD under much weaker assumptions. Firstly, this paper studies the on-average model stability of ASGD and provides a non-vacuous upper bound on the generalization error, without relying on the Lipschitz assumption.


On the Saturation Effects of Spectral Algorithms in Large Dimensions

Neural Information Processing Systems

The saturation effects, which originally refer to the fact that kernel ridge regression (KRR) fails to achieve the information-theoretical lower bound when the regression function is over-smooth, have been observed for almost 20 years and were rigorously proved recently for kernel ridge regression and some other spectral algorithms over a fixed dimensional domain. The main focus of this paper is to explore the saturation effects for a large class of spectral algorithms (including the KRR, gradient descent, etc.) in large dimensional settings where n \asymp d {\gamma} . More precisely, we first propose an improved minimax lower bound for the kernel regression problem in large dimensional settings and show that the gradient flow with early stopping strategy will result in an estimator achieving this lower bound (up to a logarithmic factor). Similar to the results in KRR, we can further determine the exact convergence rates (both upper and lower bounds) of a large class of (optimal tuned) spectral algorithms with different qualification \tau's. In particular, we find that these exact rate curves (varying along \gamma) exhibit the periodic plateau behavior and the polynomial approximation barrier.


The High Line: Exact Risk and Learning Rate Curves of Stochastic Adaptive Learning Rate Algorithms

Neural Information Processing Systems

We develop a framework for analyzing the training and learning rate dynamics on a large class of high-dimensional optimization problems, which we call the high line, trained using one-pass stochastic gradient descent (SGD) with adaptive learning rates. We give exact expressions for the risk and learning rate curves in terms of a deterministic solution to a system of ODEs. We then investigate in detail two adaptive learning rates -- an idealized exact line search and AdaGrad-Norm -- on the least squares problem. When the data covariance matrix has strictly positive eigenvalues, this idealized exact line search strategy can exhibit arbitrarily slower convergence when compared to the optimal fixed learning rate with SGD. Moreover we exactly characterize the limiting learning rate (as time goes to infinity) for line search in the setting where the data covariance has only two distinct eigenvalues.


Continuous Partitioning for Graph-Based Semi-Supervised Learning

Neural Information Processing Systems

Laplace learning algorithms for graph-based semi-supervised learning have been shown to produce degenerate predictions at low label rates and in imbalanced class regimes, particularly near class boundaries. We propose CutSSL: a framework for graph-based semi-supervised learning based on continuous nonconvex quadratic programming, which provably obtains \emph{integer} solutions. Our framework is naturally motivated by an \emph{exact} quadratic relaxation of a cardinality-constrained minimum-cut graph partitioning problem. Furthermore, we show our formulation is related to an optimization problem whose approximate solution is the mean-shifted Laplace learning heuristic, thus providing new insight into the performance of this heuristic. We demonstrate that CutSSL significantly surpasses the current state-of-the-art on k-nearest neighbor graphs and large real-world graph benchmarks across a variety of label rates, class imbalance, and label imbalance regimes.


Topological Generalization Bounds for Discrete-Time Stochastic Optimization Algorithms

Neural Information Processing Systems

We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization properties, yet the source of these capabilities remains elusive, defying the established statistical learning theory. Recent studies have revealed that properties of training trajectories can be indicative of generalization. Building on this insight, state-of-the-art methods have leveraged the topology of these trajectories, particularly their fractal dimension, to quantify generalization. Most existing works compute this quantity by assuming continuous- or infinite-time training dynamics, complicating the development of practical estimators capable of accurately predicting generalization without access to test data.


HyperLogic: Enhancing Diversity and Accuracy in Rule Learning with HyperNets

Neural Information Processing Systems

Exploring the integration of if-then logic rules within neural network architectures presents an intriguing area. This integration seamlessly transforms the rule learning task into neural network training using backpropagation and stochastic gradient descent. From a well-trained sparse and shallow neural network, one can interpret each layer and neuron through the language of logic rules, and a global explanatory rule set can be directly extracted. However, ensuring interpretability may impose constraints on the flexibility, depth, and width of neural networks. In this paper, we propose HyperLogic: a novel framework leveraging hypernetworks to generate weights of the main network.


Global Convergence of Gradient Descent for Asymmetric Low-Rank Matrix Factorization

Neural Information Processing Systems

This is a canonical problem that admits two difficulties in optimization: 1) non-convexity and 2) non-smoothness (due to unbalancedness of \mathbf{U} and \mathbf{V}). This is also a prototype for more complex problems such as asymmetric matrix sensing and matrix completion. Despite being non-convex and non-smooth, it has been observed empirically that the randomly initialized gradient descent algorithm can solve this problem in polynomial time. Existing theories to explain this phenomenon all require artificial modifications of the algorithm, such as adding noise in each iteration and adding a balancing regularizer to balance the \mathbf{U} and \mathbf{V} .This paper presents the first proof that shows randomly initialized gradient descent converges to a global minimum of the asymmetric low-rank factorization problem with a polynomial rate. For the proof, we develop 1) a new symmetrization technique to capture the magnitudes of the symmetry and asymmetry, and 2) a quantitative perturbation analysis to approximate matrix derivatives.


Asynchronous SGD Beats Minibatch SGD Under Arbitrary Delays

Neural Information Processing Systems

The existing analysis of asynchronous stochastic gradient descent (SGD) degrades dramatically when any delay is large, giving the impression that performance depends primarily on the delay. On the contrary, we prove much better guarantees for the same asynchronous SGD algorithm regardless of the delays in the gradients, depending instead just on the number of parallel devices used to implement the algorithm. Our guarantees are strictly better than the existing analyses, and we also argue that asynchronous SGD outperforms synchronous minibatch SGD in the settings we consider. For our analysis, we introduce a novel recursion based on virtual iterates'' and delay-adaptive stepsizes, which allow us to derive state-of-the-art guarantees for both convex and non-convex objectives.