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 Statistical Learning


How to Scale Your EMA

Neural Information Processing Systems

Preserving training dynamics across batch sizes is an important tool for practical machine learning as it enables the trade-off between batch size and wall-clock time. This trade-off is typically enabled by a scaling rule, for example, in stochastic gradient descent, one should scale the learning rate linearly with the batch size. Another important machine learning tool is the model EMA, a functional copy of a target model, whose parameters move towards those of its target model according to an Exponential Moving Average (EMA) at a rate parameterized by a momentum hyperparameter. This model EMA can improve the robustness and generalization of supervised learning, stabilize pseudo-labeling, and provide a learning signal for Self-Supervised Learning (SSL). Prior works have not considered the optimization of the model EMA when performing scaling, leading to different training dynamics across batch sizes and lower model performance.


Training Chain-of-Thought via Latent-Variable Inference

Neural Information Processing Systems

Large language models (LLMs) solve problems more accurately and interpretably when instructed to work out the answer step by step using a "chain-of-thought" (CoT) prompt. One can also improve LLMs' performance on a specific task by supervised fine-tuning, i.e., by using gradient ascent on some tunable parameters to maximize the average log-likelihood of correct answers from a labeled training set. Naively combining CoT with supervised tuning requires supervision not just of the correct answers, but also of detailed rationales that lead to those answers; these rationales are expensive to produce by hand. Instead, we propose a fine-tuning strategy that tries to maximize the \emph{marginal} log-likelihood of generating a correct answer using CoT prompting, approximately averaging over all possible rationales. The core challenge is sampling from the posterior over rationales conditioned on the correct answer; we address it using a simple Markov-chain Monte Carlo (MCMC) expectation-maximization (EM) algorithm inspired by the self-taught reasoner (STaR), memoized wake-sleep, Markovian score climbing, and persistent contrastive divergence.


Survival Permanental Processes for Survival Analysis with Time-Varying Covariates

Neural Information Processing Systems

Survival or time-to-event data with time-varying covariates are common in practice, and exploring the non-stationarity in covariates is essential to accurately analyzing the nonlinear dependence of time-to-event outcomes on covariates. Traditional survival analysis methods such as Cox proportional hazards model have been extended to address the time-varying covariates through a counting process formulation, although sophisticated machine learning methods that can accommodate time-varying covariates have been limited. In this paper, we propose a non-parametric Bayesian survival model to analyze the nonlinear dependence of time-to-event outcomes on time-varying covariates. We focus on a computationally feasible Cox process called permanental process, which assumes the square root of hazard function to be generated from a Gaussian process, and tailor it for survival data with time-varying covariates. We verify that the proposed model holds with the representer theorem, a beneficial property for functional analysis, which offers us a fast Bayesian estimation algorithm that scales linearly with the number of observed events without relying on Markov Chain Monte Carlo computation.


Why Does Sharpness-Aware Minimization Generalize Better Than SGD?

Neural Information Processing Systems

The challenge of overfitting, in which the model memorizes the training data and fails to generalize to test data, has become increasingly significant in the training of large neural networks. To tackle this challenge, Sharpness-Aware Minimization (SAM) has emerged as a promising training method, which can improve the generalization of neural networks even in the presence of label noise. However, a deep understanding of how SAM works, especially in the setting of nonlinear neural networks and classification tasks, remains largely missing. This paper fills this gap by demonstrating why SAM generalizes better than Stochastic Gradient Descent (SGD) for a certain data model and two-layer convolutional ReLU networks. The loss landscape of our studied problem is nonsmooth, thus current explanations for the success of SAM based on the Hessian information are insufficient. Our result explains the benefits of SAM, particularly its ability to prevent noise learning in the early stages, thereby facilitating more effective learning of features.


Resetting the Optimizer in Deep RL: An Empirical Study

Neural Information Processing Systems

We focus on the task of approximating the optimal value function in deep reinforcement learning. This iterative process is comprised of solving a sequence of optimization problems where the loss function changes per iteration. The common approach to solving this sequence of problems is to employ modern variants of the stochastic gradient descent algorithm such as Adam. These optimizers maintain their own internal parameters such as estimates of the first-order and the second-order moments of the gradient, and update them over time. Therefore, information obtained in previous iterations is used to solve the optimization problem in the current iteration. We demonstrate that this can contaminate the moment estimates because the optimization landscape can change arbitrarily from one iteration to the next one.


Robust Model Reasoning and Fitting via Dual Sparsity Pursuit

Neural Information Processing Systems

In this paper, we contribute to solving a threefold problem: outlier rejection, true model reasoning and parameter estimation with a unified optimization modeling. To this end, we first pose this task as a sparse subspace recovering problem, to search a maximum of independent bases under an over-embedded data space. Then we convert the objective into a continuous optimization paradigm that estimates sparse solutions for both bases and errors. Wherein a fast and robust solver is proposed to accurately estimate the sparse subspace parameters and error entries, which is implemented by a proximal approximation method under the alternating optimization framework with the optimal'' sub-gradient descent. Extensive experiments regarding known and unknown model fitting on synthetic and challenging real datasets have demonstrated the superiority of our method against the state-of-the-art.


Learning Trajectories are Generalization Indicators

Neural Information Processing Systems

This paper explores the connection between learning trajectories of Deep Neural Networks (DNNs) and their generalization capabilities when optimized using (stochastic) gradient descent algorithms. Instead of concentrating solely on the generalization error of the DNN post-training, we present a novel perspective for analyzing generalization error by investigating the contribution of each update step to the change in generalization error. This perspective enable a more direct comprehension of how the learning trajectory influences generalization error. Building upon this analysis, we propose a new generalization bound that incorporates more extensive trajectory information.Our proposed generalization bound depends on the complexity of learning trajectory and the ratio between the bias and diversity of training set. Experimental observations reveal that our method effectively captures the generalization error throughout the training process.


Multinomial Logistic Regression: Asymptotic Normality on Null Covariates in High-Dimensions

Neural Information Processing Systems

This paper investigates the asymptotic distribution of the maximum-likelihood estimate (MLE) in multinomial logistic models in the high-dimensional regime where dimension and sample size are of the same order. While classical large-sample theory provides asymptotic normality of the MLE under certain conditions, such classical results are expected to fail in high-dimensions as documented for the binary logistic case in the seminal work of Sur and Candès [2019]. We address this issue in classification problems with 3 or more classes, by developing asymptotic normality and asymptotic chi-square results for the multinomial logistic MLE (also known as cross-entropy minimizer) on null covariates. Our theory leads to a new methodology to test the significance of a given feature. Extensive simulation studies on synthetic data corroborate these asymptotic results and confirm the validity of proposed p-values for testing the significance of a given feature.


GLEMOS: Benchmark for Instantaneous Graph Learning Model Selection

Neural Information Processing Systems

The choice of a graph learning (GL) model (i.e., a GL algorithm and its hyperparameter settings) has a significant impact on the performance of downstream tasks. However, selecting the right GL model becomes increasingly difficult and time consuming as more and more GL models are developed. Accordingly, it is of great significance and practical value to equip users of GL with the ability to perform a near-instantaneous selection of an effective GL model without manual intervention. Despite the recent attempts to tackle this important problem, there has been no comprehensive benchmark environment to evaluate the performance of GL model selection methods. To bridge this gap, we present GLEMOS in this work, a comprehensive benchmark for instantaneous GL model selection that makes the following contributions. To promote research on this significant problem, we make the benchmark data and code publicly available at https://namyongpark.github.io/glemos.


Data-driven Optimal Filtering for Linear Systems with Unknown Noise Covariances

Neural Information Processing Systems

This paper examines learning the optimal filtering policy, known as the Kalman gain, for a linear system with unknown noise covariance matrices using noisy output data. The learning problem is formulated as a stochastic policy optimiza- tion problem, aiming to minimize the output prediction error. This formulation provides a direct bridge between data-driven optimal control and, its dual, op- timal filtering. Firstly, we conduct a thorough convergence analysis of the stochastic gradient descent algorithm, adopted for the filtering problem, accounting for biased gradients and stability constraints. Secondly, we carefully leverage a combination of tools from linear system theory and high-dimensional statistics to derive bias-variance error bounds that scale logarithmically with problem dimension, and, in contrast to subspace methods, the length of output trajectories only affects the bias term.