arXiv subjects

Quanquan Gu

Publications and source records attributed to Quanquan Gu.

At least 127 records · Page 7Linked to original sources

arXiv2023

The Implicit Bias of Batch Normalization in Linear Models and Two-layer Linear Convolutional Neural Networks

We study the implicit bias of batch normalization trained by gradient descent. We show that when learning a linear model with batch normalization for binary classification, gradient descent converges to a uniform margin classifier on the training data with an $\exp(-Ω(\log^2 t))$ convergence rate. This distinguishes linear models with batch normalization from those without batch normalization in terms of both the type of implicit bias and the convergence rate. We further extend our result to a class of two-layer, single-filter linear convolutional neural networks, and show that batch normalization has an implicit bias towards a patch-wise uniform margin. Based on two examples, we demonstrate that patch-wise uniform margin classifiers can outperform the maximum margin classifiers in certain learning problems. Our results contribute to a better theoretical understanding of batch normalization.

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arXiv2023

Finite-Sample Analysis of Learning High-Dimensional Single ReLU Neuron

This paper considers the problem of learning a single ReLU neuron with squared loss (a.k.a., ReLU regression) in the overparameterized regime, where the input dimension can exceed the number of samples. We analyze a Perceptron-type algorithm called GLM-tron (Kakade et al., 2011) and provide its dimension-free risk upper bounds for high-dimensional ReLU regression in both well-specified and misspecified settings. Our risk bounds recover several existing results as special cases. Moreover, in the well-specified setting, we provide an instance-wise matching risk lower bound for GLM-tron. Our upper and lower risk bounds provide a sharp characterization of the high-dimensional ReLU regression problems that can be learned via GLM-tron. On the other hand, we provide some negative results for stochastic gradient descent (SGD) for ReLU regression with symmetric Bernoulli data: if the model is well-specified, the excess risk of SGD is provably no better than that of GLM-tron ignoring constant factors, for each problem instance; and in the noiseless case, GLM-tron can achieve a small risk while SGD unavoidably suffers from a constant risk in expectation. These results together suggest that GLM-tron might be preferable to SGD for high-dimensional ReLU regression.

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arXiv2023

Cooperative Multi-Agent Reinforcement Learning: Asynchronous Communication and Linear Function Approximation

We study multi-agent reinforcement learning in the setting of episodic Markov decision processes, where multiple agents cooperate via communication through a central server. We propose a provably efficient algorithm based on value iteration that enable asynchronous communication while ensuring the advantage of cooperation with low communication overhead. With linear function approximation, we prove that our algorithm enjoys an $\tilde{\mathcal{O}}(d^{3/2}H^2\sqrt{K})$ regret with $\tilde{\mathcal{O}}(dHM^2)$ communication complexity, where $d$ is the feature dimension, $H$ is the horizon length, $M$ is the total number of agents, and $K$ is the total number of episodes. We also provide a lower bound showing that a minimal $Ω(dM)$ communication complexity is required to improve the performance through collaboration.

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arXiv2023

Uniform-PAC Guarantees for Model-Based RL with Bounded Eluder Dimension

Recently, there has been remarkable progress in reinforcement learning (RL) with general function approximation. However, all these works only provide regret or sample complexity guarantees. It is still an open question if one can achieve stronger performance guarantees, i.e., the uniform probably approximate correctness (Uniform-PAC) guarantee that can imply both a sub-linear regret bound and a polynomial sample complexity for any target learning accuracy. We study this problem by proposing algorithms for both nonlinear bandits and model-based episodic RL using the general function class with a bounded eluder dimension. The key idea of the proposed algorithms is to assign each action to different levels according to its width with respect to the confidence set. The achieved uniform-PAC sample complexity is tight in the sense that it matches the state-of-the-art regret bounds or sample complexity guarantees when reduced to the linear case. To the best of our knowledge, this is the first work for uniform-PAC guarantees on bandit and RL that goes beyond linear cases.

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arXiv2023

Horizon-free Reinforcement Learning in Adversarial Linear Mixture MDPs

Recent studies have shown that episodic reinforcement learning (RL) is no harder than bandits when the total reward is bounded by $1$, and proved regret bounds that have a polylogarithmic dependence on the planning horizon $H$. However, it remains an open question that if such results can be carried over to adversarial RL, where the reward is adversarially chosen at each episode. In this paper, we answer this question affirmatively by proposing the first horizon-free policy search algorithm. To tackle the challenges caused by exploration and adversarially chosen reward, our algorithm employs (1) a variance-uncertainty-aware weighted least square estimator for the transition kernel; and (2) an occupancy measure-based technique for the online search of a \emph{stochastic} policy. We show that our algorithm achieves an $\tilde{O}\big((d+\log (|\mathcal{S}|^2 |\mathcal{A}|))\sqrt{K}\big)$ regret with full-information feedback, where $d$ is the dimension of a known feature mapping linearly parametrizing the unknown transition kernel of the MDP, $K$ is the number of episodes, $|\mathcal{S}|$ and $|\mathcal{A}|$ are the cardinalities of the state and action spaces. We also provide hardness results and regret lower bounds to justify the near optimality of our algorithm and the unavoidability of $\log|\mathcal{S}|$ and $\log|\mathcal{A}|$ in the regret bound.

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arXiv2023

Personalized Federated Learning under Mixture of Distributions

The recent trend towards Personalized Federated Learning (PFL) has garnered significant attention as it allows for the training of models that are tailored to each client while maintaining data privacy. However, current PFL techniques primarily focus on modeling the conditional distribution heterogeneity (i.e. concept shift), which can result in suboptimal performance when the distribution of input data across clients diverges (i.e. covariate shift). Additionally, these techniques often lack the ability to adapt to unseen data, further limiting their effectiveness in real-world scenarios. To address these limitations, we propose a novel approach, FedGMM, which utilizes Gaussian mixture models (GMM) to effectively fit the input data distributions across diverse clients. The model parameters are estimated by maximum likelihood estimation utilizing a federated Expectation-Maximization algorithm, which is solved in closed form and does not assume gradient similarity. Furthermore, FedGMM possesses an additional advantage of adapting to new clients with minimal overhead, and it also enables uncertainty quantification. Empirical evaluations on synthetic and benchmark datasets demonstrate the superior performance of our method in both PFL classification and novel sample detection.

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arXiv2023

Optimal Online Generalized Linear Regression with Stochastic Noise and Its Application to Heteroscedastic Bandits

We study the problem of online generalized linear regression in the stochastic setting, where the label is generated from a generalized linear model with possibly unbounded additive noise. We provide a sharp analysis of the classical follow-the-regularized-leader (FTRL) algorithm to cope with the label noise. More specifically, for $σ$-sub-Gaussian label noise, our analysis provides a regret upper bound of $O(σ^2 d \log T) + o(\log T)$, where $d$ is the dimension of the input vector, $T$ is the total number of rounds. We also prove a $Ω(σ^2d\log(T/d))$ lower bound for stochastic online linear regression, which indicates that our upper bound is nearly optimal. In addition, we extend our analysis to a more refined Bernstein noise condition. As an application, we study generalized linear bandits with heteroscedastic noise and propose an algorithm based on FTRL to achieve the first variance-aware regret bound.

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arXiv2023

On the Interplay Between Misspecification and Sub-optimality Gap in Linear Contextual Bandits

We study linear contextual bandits in the misspecified setting, where the expected reward function can be approximated by a linear function class up to a bounded misspecification level $ζ>0$. We propose an algorithm based on a novel data selection scheme, which only selects the contextual vectors with large uncertainty for online regression. We show that, when the misspecification level $ζ$ is dominated by $\tilde O (Δ/ \sqrt{d})$ with $Δ$ being the minimal sub-optimality gap and $d$ being the dimension of the contextual vectors, our algorithm enjoys the same gap-dependent regret bound $\tilde O (d^2/Δ)$ as in the well-specified setting up to logarithmic factors. In addition, we show that an existing algorithm SupLinUCB (Chu et al., 2011) can also achieve a gap-dependent constant regret bound without the knowledge of sub-optimality gap $Δ$. Together with a lower bound adapted from Lattimore et al. (2020), our result suggests an interplay between misspecification level and the sub-optimality gap: (1) the linear contextual bandit model is efficiently learnable when $ζ\leq \tilde O(Δ/ \sqrt{d})$; and (2) it is not efficiently learnable when $ζ\geq \tilde Ω(Δ / {\sqrt{d}})$. Experiments on both synthetic and real-world datasets corroborate our theoretical results.

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arXiv2023

The Benefits of Mixup for Feature Learning

Mixup, a simple data augmentation method that randomly mixes two data points via linear interpolation, has been extensively applied in various deep learning applications to gain better generalization. However, the theoretical underpinnings of its efficacy are not yet fully understood. In this paper, we aim to seek a fundamental understanding of the benefits of Mixup. We first show that Mixup using different linear interpolation parameters for features and labels can still achieve similar performance to the standard Mixup. This indicates that the intuitive linearity explanation in Zhang et al., (2018) may not fully explain the success of Mixup. Then we perform a theoretical study of Mixup from the feature learning perspective. We consider a feature-noise data model and show that Mixup training can effectively learn the rare features (appearing in a small fraction of data) from its mixture with the common features (appearing in a large fraction of data). In contrast, standard training can only learn the common features but fails to learn the rare features, thus suffering from bad generalization performance. Moreover, our theoretical analysis also shows that the benefits of Mixup for feature learning are mostly gained in the early training phase, based on which we propose to apply early stopping in Mixup. Experimental results verify our theoretical findings and demonstrate the effectiveness of the early-stopped Mixup training.

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arXiv2023

Variance-Dependent Regret Bounds for Linear Bandits and Reinforcement Learning: Adaptivity and Computational Efficiency

Recently, several studies (Zhou et al., 2021a; Zhang et al., 2021b; Kim et al., 2021; Zhou and Gu, 2022) have provided variance-dependent regret bounds for linear contextual bandits, which interpolates the regret for the worst-case regime and the deterministic reward regime. However, these algorithms are either computationally intractable or unable to handle unknown variance of the noise. In this paper, we present a novel solution to this open problem by proposing the first computationally efficient algorithm for linear bandits with heteroscedastic noise. Our algorithm is adaptive to the unknown variance of noise and achieves an $\tilde{O}(d \sqrt{\sum_{k = 1}^K σ_k^2} + d)$ regret, where $σ_k^2$ is the variance of the noise at the round $k$, $d$ is the dimension of the contexts and $K$ is the total number of rounds. Our results are based on an adaptive variance-aware confidence set enabled by a new Freedman-type concentration inequality for self-normalized martingales and a multi-layer structure to stratify the context vectors into different layers with different uniform upper bounds on the uncertainty. Furthermore, our approach can be extended to linear mixture Markov decision processes (MDPs) in reinforcement learning. We propose a variance-adaptive algorithm for linear mixture MDPs, which achieves a problem-dependent horizon-free regret bound that can gracefully reduce to a nearly constant regret for deterministic MDPs. Unlike existing nearly minimax optimal algorithms for linear mixture MDPs, our algorithm does not require explicit variance estimation of the transitional probabilities or the use of high-order moment estimators to attain horizon-free regret. We believe the techniques developed in this paper can have independent value for general online decision making problems.

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arXiv2023

Structure-informed Language Models Are Protein Designers

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential evolutionary knowledge from the universe of natural protein sequences, to acquire an immediate capability to design preferable protein sequences for given folds. We conduct a structural surgery on pLMs, where a lightweight structural adapter is implanted into pLMs and endows it with structural awareness. During inference, iterative refinement is performed to effectively optimize the generated protein sequences. Experiments show that LM-Design improves the state-of-the-art results by a large margin, leading to up to 4% to 12% accuracy gains in sequence recovery (e.g., 55.65%/56.63% on CATH 4.2/4.3 single-chain benchmarks, and >60% when designing protein complexes). We provide extensive and in-depth analyses, which verify that LM-Design can (1) indeed leverage both structural and sequential knowledge to accurately handle structurally non-deterministic regions, (2) benefit from scaling data and model size, and (3) generalize to other proteins (e.g., antibodies and de novo proteins)

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arXiv2023

Efficient Privacy-Preserving Stochastic Nonconvex Optimization

While many solutions for privacy-preserving convex empirical risk minimization (ERM) have been developed, privacy-preserving nonconvex ERM remains a challenge. We study nonconvex ERM, which takes the form of minimizing a finite-sum of nonconvex loss functions over a training set. We propose a new differentially private stochastic gradient descent algorithm for nonconvex ERM that achieves strong privacy guarantees efficiently, and provide a tight analysis of its privacy and utility guarantees, as well as its gradient complexity. Our algorithm reduces gradient complexity while improves the best previous utility guarantee given by Wang et al. (NeurIPS 2017). Our experiments on benchmark nonconvex ERM problems demonstrate superior performance in terms of both training cost and utility gains compared with previous differentially private methods using the same privacy budgets.

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arXiv2022

A Finite Time Analysis of Two Time-Scale Actor Critic Methods

Actor-critic (AC) methods have exhibited great empirical success compared with other reinforcement learning algorithms, where the actor uses the policy gradient to improve the learning policy and the critic uses temporal difference learning to estimate the policy gradient. Under the two time-scale learning rate schedule, the asymptotic convergence of AC has been well studied in the literature. However, the non-asymptotic convergence and finite sample complexity of actor-critic methods are largely open. In this work, we provide a non-asymptotic analysis for two time-scale actor-critic methods under non-i.i.d. setting. We prove that the actor-critic method is guaranteed to find a first-order stationary point (i.e., $\|\nabla J(\boldsymbolθ)\|_2^2 \le ε$) of the non-concave performance function $J(\boldsymbolθ)$, with $\mathcal{\tilde{O}}(ε^{-2.5})$ sample complexity. To the best of our knowledge, this is the first work providing finite-time analysis and sample complexity bound for two time-scale actor-critic methods.

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arXiv2022

A General Framework for Sample-Efficient Function Approximation in Reinforcement Learning

With the increasing need for handling large state and action spaces, general function approximation has become a key technique in reinforcement learning (RL). In this paper, we propose a general framework that unifies model-based and model-free RL, and an Admissible Bellman Characterization (ABC) class that subsumes nearly all Markov Decision Process (MDP) models in the literature for tractable RL. We propose a novel estimation function with decomposable structural properties for optimization-based exploration and the functional eluder dimension as a complexity measure of the ABC class. Under our framework, a new sample-efficient algorithm namely OPtimization-based ExploRation with Approximation (OPERA) is proposed, achieving regret bounds that match or improve over the best-known results for a variety of MDP models. In particular, for MDPs with low Witness rank, under a slightly stronger assumption, OPERA improves the state-of-the-art sample complexity results by a factor of $dH$. Our framework provides a generic interface to design and analyze new RL models and algorithms.

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arXiv2022

Proxy Convexity: A Unified Framework for the Analysis of Neural Networks Trained by Gradient Descent

Although the optimization objectives for learning neural networks are highly non-convex, gradient-based methods have been wildly successful at learning neural networks in practice. This juxtaposition has led to a number of recent studies on provable guarantees for neural networks trained by gradient descent. Unfortunately, the techniques in these works are often highly specific to the particular setup in each problem, making it difficult to generalize across different settings. To address this drawback in the literature, we propose a unified non-convex optimization framework for the analysis of neural network training. We introduce the notions of proxy convexity and proxy Polyak-Lojasiewicz (PL) inequalities, which are satisfied if the original objective function induces a proxy objective function that is implicitly minimized when using gradient methods. We show that gradient descent on objectives satisfying proxy convexity or the proxy PL inequality leads to efficient guarantees for proxy objective functions. We further show that many existing guarantees for neural networks trained by gradient descent can be unified through proxy convexity and proxy PL inequalities.

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arXiv2022

Learning Two-Player Mixture Markov Games: Kernel Function Approximation and Correlated Equilibrium

We consider learning Nash equilibria in two-player zero-sum Markov Games with nonlinear function approximation, where the action-value function is approximated by a function in a Reproducing Kernel Hilbert Space (RKHS). The key challenge is how to do exploration in the high-dimensional function space. We propose a novel online learning algorithm to find a Nash equilibrium by minimizing the duality gap. At the core of our algorithms are upper and lower confidence bounds that are derived based on the principle of optimism in the face of uncertainty. We prove that our algorithm is able to attain an $O(\sqrt{T})$ regret with polynomial computational complexity, under very mild assumptions on the reward function and the underlying dynamic of the Markov Games. We also propose several extensions of our algorithm, including an algorithm with Bernstein-type bonus that can achieve a tighter regret bound, and another algorithm for model misspecification that can be applied to neural function approximation.

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arXiv2022

Towards Understanding Mixture of Experts in Deep Learning

The Mixture-of-Experts (MoE) layer, a sparsely-activated model controlled by a router, has achieved great success in deep learning. However, the understanding of such architecture remains elusive. In this paper, we formally study how the MoE layer improves the performance of neural network learning and why the mixture model will not collapse into a single model. Our empirical results suggest that the cluster structure of the underlying problem and the non-linearity of the expert are pivotal to the success of MoE. To further understand this, we consider a challenging classification problem with intrinsic cluster structures, which is hard to learn using a single expert. Yet with the MoE layer, by choosing the experts as two-layer nonlinear convolutional neural networks (CNNs), we show that the problem can be learned successfully. Furthermore, our theory shows that the router can learn the cluster-center features, which helps divide the input complex problem into simpler linear classification sub-problems that individual experts can conquer. To our knowledge, this is the first result towards formally understanding the mechanism of the MoE layer for deep learning.

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arXiv2022

The Power and Limitation of Pretraining-Finetuning for Linear Regression under Covariate Shift

We study linear regression under covariate shift, where the marginal distribution over the input covariates differs in the source and the target domains, while the conditional distribution of the output given the input covariates is similar across the two domains. We investigate a transfer learning approach with pretraining on the source data and finetuning based on the target data (both conducted by online SGD) for this problem. We establish sharp instance-dependent excess risk upper and lower bounds for this approach. Our bounds suggest that for a large class of linear regression instances, transfer learning with $O(N^2)$ source data (and scarce or no target data) is as effective as supervised learning with $N$ target data. In addition, we show that finetuning, even with only a small amount of target data, could drastically reduce the amount of source data required by pretraining. Our theory sheds light on the effectiveness and limitation of pretraining as well as the benefits of finetuning for tackling covariate shift problems.

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