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 Statistical Learning


Regret Bounds for Multilabel Classification in Sparse Label Regimes

Neural Information Processing Systems

Multi-label classification (MLC) has wide practical importance, but the theoretical understanding of its statistical properties is still limited. As an attempt to fill this gap, we thoroughly study upper and lower regret bounds for two canonical MLC performance measures, Hamming loss and Precision@ \kappa . We consider two different statistical and algorithmic settings, a non-parametric setting tackled by plug-in classifiers \ a la k -nearest neighbors, and a parametric one tackled by empirical risk minimization operating on surrogate loss functions. For both, we analyze the interplay between a natural MLC variant of the low noise assumption, widely studied in binary classification, and the label sparsity, the latter being a natural property of large-scale MLC problems. We show that those conditions are crucial in improving the bounds, but the way they are tangled is not obvious, and also different across the two settings.


Maximum Entropy Inverse Reinforcement Learning of Diffusion Models with Energy-Based Models

Neural Information Processing Systems

We present a maximum entropy inverse reinforcement learning (IRL) approach for improving the sample quality of diffusion generative models, especially when the number of generation time steps is small. Similar to how IRL trains a policy based on the reward function learned from expert demonstrations, we train (or fine-tune) a diffusion model using the log probability density estimated from training data. Since we employ an energy-based model (EBM) to represent the log density, our approach boils down to the joint training of a diffusion model and an EBM. Our IRL formulation, named Diffusion by Maximum Entropy IRL (DxMI), is a minimax problem that reaches equilibrium when both models converge to the data distribution. The entropy maximization plays a key role in DxMI, facilitating the exploration of the diffusion model and ensuring the convergence of the EBM.


Bias in Motion: Theoretical Insights into the Dynamics of Bias in SGD Training

Neural Information Processing Systems

Machine learning systems often acquire biases by leveraging undesired features in the data, impacting accuracy variably across different sub-populations of the data. However, our current understanding of bias formation mostly focuses on the initial and final stages of learning, leaving a gap in knowledge regarding the transient dynamics. To address this gap, this paper explores the evolution of bias in a teacher-student setup that models different data sub-populations with a Gaussian-mixture model. We provide an analytical description of the stochastic gradient descent dynamics of a linear classifier in this setup, which we prove to be exact in high dimension.Notably, our analysis identifies different properties of the sub-populations that drive bias at different timescales and hence shows a shifting preference of our classifier during training. By applying our general solution to fairness and robustness, we delineate how and when heterogeneous data and spurious features can generate and amplify bias.


The Implicit Bias of Adam on Separable Data

Neural Information Processing Systems

Adam has become one of the most favored optimizers in deep learning problems. Despite its success in practice, numerous mysteries persist regarding its theoretical understanding. In this paper, we study the implicit bias of Adam in linear logistic regression. Specifically, we show that when the training data are linearly separable, the iterates of Adam converge towards a linear classifier that achieves the maximum \ell_\infty -margin in direction. Notably, for a general class of diminishing learning rates, this convergence occurs within polynomial time.


Adaptive Variance Reduction for Stochastic Optimization under Weaker Assumptions

Neural Information Processing Systems

This paper explores adaptive variance reduction methods for stochastic optimization based on the STORM technique. Existing adaptive extensions of STORM rely on strong assumptions like bounded gradients and bounded function values, or suffer an additional \mathcal{O}(\log T) term in the convergence rate. To address these limitations, we introduce a novel adaptive STORM method that achieves an optimal convergence rate of \mathcal{O}(T {-1/3}) for non-convex functions with our newly designed learning rate strategy. Compared with existing approaches, our method requires weaker assumptions and attains the optimal convergence rate without the additional \mathcal{O}(\log T) term. We also extend the proposed technique to stochastic compositional optimization, obtaining the same optimal rate of \mathcal{O}(T {-1/3}) .


How Fine-Tuning Allows for Effective Meta-Learning

Neural Information Processing Systems

Representation learning has served as a key tool for meta-learning, enabling rapid learning of new tasks. Recent works like MAML learn task-specific representations by finding an initial representation requiring minimal per-task adaptation (i.e. a fine-tuning-based objective). We present a theoretical framework for analyzing a MAML-like algorithm, assuming all available tasks require approximately the same representation. We then provide risk bounds on predictors found by fine-tuning via gradient descent, demonstrating that the method provably leverages the shared structure. We illustrate these bounds in the logistic regression and neural network settings.


Differential Privacy in Scalable General Kernel Learning via K -means Nystr{\"o}m Random Features

Neural Information Processing Systems

As the volume of data invested in statistical learning increases and concerns regarding privacy grow, the privacy leakage issue has drawn significant attention. Differential privacy has emerged as a widely accepted concept capable of mitigating privacy concerns, and numerous differentially private (DP) versions of machine learning algorithms have been developed. However, existing works on DP kernel learning algorithms have exhibited practical limitations, including scalability, restricted choice of kernels, or dependence on test data availability. We propose DP scalable kernel empirical risk minimization (ERM) algorithms and a DP kernel mean embedding (KME) release algorithm suitable for general kernels. Our approaches address the shortcomings of previous algorithms by employing Nyström methods, classical techniques in non-private scalable kernel learning.


Public-data Assisted Private Stochastic Optimization: Power and Limitations

Neural Information Processing Systems

We study the limits and capability of public-data assisted differentially private (PA-DP) algorithms. Specifically, we focus on the problem of stochastic convex optimization (SCO) with either labeled or unlabeled public data. These lower bounds are established via our new lower bounds for PA-DP mean estimation, which are of a similar form. Up to constant factors, these lower bounds show that the simple strategy of either treating all data as private or discarding the private data, is optimal. We also study PA-DP supervised learning with \textit{unlabeled} public samples.


Invariant subspaces and PCA in nearly matrix multiplication time

Neural Information Processing Systems

Approximating invariant subspaces of generalized eigenvalue problems (GEPs) is a fundamental computational problem at the core of machine learning and scientific computing. It is, for example, the root of Principal Component Analysis (PCA) for dimensionality reduction, data visualization, and noise filtering, and of Density Functional Theory (DFT), arguably the most popular method to calculate the electronic structure of materials. Given Hermitian H,S\in\mathbb{C} {n\times n}, where S is positive-definite, let \Pi_k be the true spectral projector on the invariant subspace that is associated with the k smallest (or largest) eigenvalues of the GEP HC SC\Lambda, for some k\in[n] . Here, \eta 0 is arbitrarily small, \omega\lesssim 2.372 is the matrix multiplication exponent, \kappa(S) \lVert S\rVert_2\lVert S {-1}\rVert_2, and \mathrm{gap}_k is the gap between eigenvalues k and k 1 . To achieve such provable "forward-error" guarantees, our methods rely on a new O(n {\omega \eta}) stability analysis for the Cholesky factorization, and a smoothed analysis for computing spectral gaps, which can be of independent interest.Ultimately, we obtain new matrix multiplication-type bit complexity upper bounds for PCA problems, including classical PCA and (randomized) low-rank approximation.


In-Context Learning of a Linear Transformer Block: Benefits of the MLP Component and One-Step GD Initialization

Neural Information Processing Systems

We study the \emph{in-context learning} (ICL) ability of a \emph{Linear Transformer Block} (LTB) that combines a linear attention component and a linear multi-layer perceptron (MLP) component. For ICL of linear regression with a Gaussian prior and a \emph{non-zero mean}, we show that LTB can achieve nearly Bayes optimal ICL risk. In contrast, using only linear attention must incur an irreducible additive approximation error. Furthermore, we establish a correspondence between LTB and one-step gradient descent estimators with learnable initialization ( \mathsf{GD}-\beta), in the sense that every \mathsf{GD}-\beta estimator can be implemented by an LTB estimator and every optimal LTB estimator that minimizes the in-class ICL risk is effectively a \mathsf{GD}-\beta estimator.Finally, we show that \mathsf{GD}-\beta estimators can be efficiently optimized with gradient flow, despite a non-convex training objective.Our results reveal that LTB achieves ICL by implementing \mathsf{GD}-\beta, and they highlight the role of MLP layers in reducing approximation error.