Licong Lin

Licong Lin, Koulik Khamaru, Martin J. Wainwright

Many standard estimators, when applied to adaptively collected data, fail to be asymptotically normal, thereby complicating the construction of confidence intervals. We address this challenge in a semi-parametric context: estimating the parameter vector of a generalized linear regression model contaminated by a non-parametric nuisance component. We construct suitably weighted estimating equations that account for adaptivity in data collection, and provide conditions under which the associated estimates are asymptotically normal. Our results characterize the degree of "explorability" required for asymptotic normality to hold. For the simpler problem of estimating a linear functional, we provide similar guarantees under much weaker assumptions. We illustrate our general theory with concrete consequences for various problems, including standard linear bandits and sparse generalized bandits, and compare with other methods via simulation studies.

Taejoo Ahn, Licong Lin, Song Mei

In high dimensional variable selection problems, statisticians often seek to design multiple testing procedures that control the False Discovery Rate (FDR), while concurrently identifying a greater number of relevant variables. Model-X methods, such as Knockoffs and conditional randomization tests, achieve the primary goal of finite-sample FDR control, assuming a known distribution of covariates. However, whether these methods can also achieve the secondary goal of maximizing discoveries remains uncertain. In fact, designing procedures to discover more relevant variables with finite-sample FDR control is a largely open question, even within the arguably simplest linear models. In this paper, we develop near-optimal multiple testing procedures for high dimensional Bayesian linear models with isotropic covariates. We introduce Model-X procedures that provably control the frequentist FDR from finite samples, even when the model is misspecified, and conjecturally achieve near-optimal power when the data follow the Bayesian linear model. Our proposed procedure, PoEdCe, incorporates three key ingredients: Posterior Expectation, distilled Conditional randomization test (dCRT), and the Benjamini-Hochberg procedure with e-values (eBH). The optimality conjecture of PoEdCe is based on a heuristic calculation of its asymptotic true positive proportion (TPP) and false discovery proportion (FDP), which is supported by methods from statistical physics as well as extensive numerical simulations. Our result establishes the Bayesian linear model as a benchmark for comparing the power of various multiple testing procedures.

Licong Lin, Yu Bai, Song Mei

Large transformer models pretrained on offline reinforcement learning datasets have demonstrated remarkable in-context reinforcement learning (ICRL) capabilities, where they can make good decisions when prompted with interaction trajectories from unseen environments. However, when and how transformers can be trained to perform ICRL have not been theoretically well-understood. In particular, it is unclear which reinforcement-learning algorithms transformers can perform in context, and how distribution mismatch in offline training data affects the learned algorithms. This paper provides a theoretical framework that analyzes supervised pretraining for ICRL. This includes two recently proposed training methods -- algorithm distillation and decision-pretrained transformers. First, assuming model realizability, we prove the supervised-pretrained transformer will imitate the conditional expectation of the expert algorithm given the observed trajectory. The generalization error will scale with model capacity and a distribution divergence factor between the expert and offline algorithms. Second, we show transformers with ReLU attention can efficiently approximate near-optimal online reinforcement learning algorithms like LinUCB and Thompson sampling for stochastic linear bandits, and UCB-VI for tabular Markov decision processes. This provides the first quantitative analysis of the ICRL capabilities of transformers pretrained from offline trajectories.

Licong Lin, Mufang Ying, Suvrojit Ghosh et al.

Estimation and inference in statistics pose significant challenges when data are collected adaptively. Even in linear models, the Ordinary Least Squares (OLS) estimator may fail to exhibit asymptotic normality for single coordinate estimation and have inflated error. This issue is highlighted by a recent minimax lower bound, which shows that the error of estimating a single coordinate can be enlarged by a multiple of $\sqrt{d}$ when data are allowed to be arbitrarily adaptive, compared with the case when they are i.i.d. Our work explores this striking difference in estimation performance between utilizing i.i.d. and adaptive data. We investigate how the degree of adaptivity in data collection impacts the performance of estimating a low-dimensional parameter component in high-dimensional linear models. We identify conditions on the data collection mechanism under which the estimation error for a low-dimensional parameter component matches its counterpart in the i.i.d. setting, up to a factor that depends on the degree of adaptivity. We show that OLS or OLS on centered data can achieve this matching error. In addition, we propose a novel estimator for single coordinate inference via solving a Two-stage Adaptive Linear Estimating equation (TALE). Under a weaker form of adaptivity in data collection, we establish an asymptotic normality property of the proposed estimator.

Michael Celentano, Zhou Fan, Licong Lin et al.

We study mean-field variational inference in a Bayesian linear model when the sample size n is comparable to the dimension p. In high dimensions, the common approach of minimizing a Kullback-Leibler divergence from the posterior distribution, or maximizing an evidence lower bound, may deviate from the true posterior mean and underestimate posterior uncertainty. We study instead minimization of the TAP free energy, showing in a high-dimensional asymptotic framework that it has a local minimizer which provides a consistent estimate of the posterior marginals and may be used for correctly calibrated posterior inference. Geometrically, we show that the landscape of the TAP free energy is strongly convex in an extensive neighborhood of this local minimizer, which under certain general conditions can be found by an Approximate Message Passing (AMP) algorithm. We then exhibit an efficient algorithm that linearly converges to the minimizer within this local neighborhood. In settings where it is conjectured that no efficient algorithm can find this local neighborhood, we prove analogous geometric properties for a local minimizer of the TAP free energy reachable by AMP, and show that posterior inference based on this minimizer remains correctly calibrated.

Xuandong Zhao, Will Cai, Tianneng Shi et al. · berkeley

Existing training-time safety alignment techniques for large language models (LLMs) remain vulnerable to jailbreak attacks. Direct preference optimization (DPO), a widely deployed alignment method, exhibits limitations in both experimental and theoretical contexts as its loss function proves suboptimal for refusal learning. Through gradient-based analysis, we identify these shortcomings and propose an improved safety alignment that disentangles DPO objectives into two components: (1) robust refusal training, which encourages refusal even when partial unsafe generations are produced, and (2) targeted unlearning of harmful knowledge. This approach significantly increases LLM robustness against a wide range of jailbreak attacks, including prefilling, suffix, and multi-turn attacks across both in-distribution and out-of-distribution scenarios. Furthermore, we introduce a method to emphasize critical refusal tokens by incorporating a reward-based token-level weighting mechanism for refusal learning, which further improves the robustness against adversarial exploits. Our research also suggests that robustness to jailbreak attacks is correlated with token distribution shifts in the training process and internal representations of refusal and harmful tokens, offering valuable directions for future research in LLM safety alignment. The code is available at https://github.com/wicai24/DOOR-Alignment

Ruiqi Zhang, Licong Lin, Yu Bai et al.

Large Language Models (LLMs) often memorize sensitive, private, or copyrighted data during pre-training. LLM unlearning aims to eliminate the influence of undesirable data from the pre-trained model while preserving the model's utilities on other tasks. Several practical methods have recently been proposed for LLM unlearning, mostly based on gradient ascent (GA) on the loss of undesirable data. However, on certain unlearning tasks, these methods either fail to effectively unlearn the target data or suffer from catastrophic collapse -- a drastic degradation of the model's utilities. In this paper, we propose Negative Preference Optimization (NPO), a simple alignment-inspired method that could efficiently and effectively unlearn a target dataset. We theoretically show that the progression toward catastrophic collapse by minimizing the NPO loss is exponentially slower than GA. Through experiments on synthetic data and the benchmark TOFU dataset, we demonstrate that NPO-based methods achieve a better balance between unlearning the undesirable data and maintaining the model's utilities. We also observe that NPO-based methods generate more sensible outputs than GA-based methods, whose outputs are often gibberish. Remarkably, on TOFU, NPO-based methods are the first to achieve reasonable unlearning results in forgetting 50% (or more) of the training data, whereas existing methods already struggle with forgetting 10% of training data.

Kazusato Oko, Licong Lin, Yuhang Cai et al.

Multi-modal generative AI systems, such as those combining vision and language, rely on contrastive pre-training to learn representations across different modalities. While their practical benefits are widely acknowledged, a rigorous theoretical understanding of the contrastive pre-training framework remains limited. This paper develops a theoretical framework to explain the success of contrastive pre-training in downstream tasks, such as zero-shot classification, conditional diffusion models, and vision-language models. We introduce the concept of approximate sufficient statistics, a generalization of the classical sufficient statistics, and show that near-minimizers of the contrastive pre-training loss are approximately sufficient, making them adaptable to diverse downstream tasks. We further propose the Joint Generative Hierarchical Model for the joint distribution of images and text, showing that transformers can efficiently approximate relevant functions within this model via belief propagation. Building on this framework, we derive sample complexity guarantees for multi-modal learning based on contrastive pre-trained representations. Numerical simulations validate these theoretical findings, demonstrating the strong generalization performance of contrastively pre-trained transformers in various multi-modal tasks.

Licong Lin, Song Mei

Contrastive learning -- a modern approach to extract useful representations from unlabeled data by training models to distinguish similar samples from dissimilar ones -- has driven significant progress in foundation models. In this work, we develop a new theoretical framework for analyzing data augmentation-based contrastive learning, with a focus on SimCLR as a representative example. Our approach is based on the concept of \emph{approximate sufficient statistics}, which we extend beyond its original definition in \cite{oko2025statistical} for contrastive language-image pretraining (CLIP) using KL-divergence. We generalize it to equivalent forms and general f-divergences, and show that minimizing SimCLR and other contrastive losses yields encoders that are approximately sufficient. Furthermore, we demonstrate that these near-sufficient encoders can be effectively adapted to downstream regression and classification tasks, with performance depending on their sufficiency and the error induced by data augmentation in contrastive learning. Concrete examples in linear regression and topic classification are provided to illustrate the broad applicability of our results.

Ruiqi Zhang, Jingfeng Wu, Licong Lin et al.

We study $\textit{gradient descent}$ (GD) for logistic regression on linearly separable data with stepsizes that adapt to the current risk, scaled by a constant hyperparameter $η$. We show that after at most $1/γ^2$ burn-in steps, GD achieves a risk upper bounded by $\exp(-Θ(η))$, where $γ$ is the margin of the dataset. As $η$ can be arbitrarily large, GD attains an arbitrarily small risk $\textit{immediately after the burn-in steps}$, though the risk evolution may be $\textit{non-monotonic}$. We further construct hard datasets with margin $γ$, where any batch (or online) first-order method requires $Ω(1/γ^2)$ steps to find a linear separator. Thus, GD with large, adaptive stepsizes is $\textit{minimax optimal}$ among first-order batch methods. Notably, the classical $\textit{Perceptron}$ (Novikoff, 1962), a first-order online method, also achieves a step complexity of $1/γ^2$, matching GD even in constants. Finally, our GD analysis extends to a broad class of loss functions and certain two-layer networks.

Licong Lin, Jingfeng Wu, Peter L. Bartlett

Neural scaling laws suggest that the test error of large language models trained online decreases polynomially as the model size and data size increase. However, such scaling can be unsustainable when running out of new data. In this work, we show that data reuse can improve existing scaling laws in linear regression. Specifically, we derive sharp test error bounds on $M$-dimensional linear models trained by multi-pass stochastic gradient descent (multi-pass SGD) on $N$ data with sketched features. Assuming that the data covariance has a power-law spectrum of degree $a$, and that the true parameter follows a prior with an aligned power-law spectrum of degree $b-a$ (with $a > b > 1$), we show that multi-pass SGD achieves a test error of $Θ(M^{1-b} + L^{(1-b)/a})$, where $L \lesssim N^{a/b}$ is the number of iterations. In the same setting, one-pass SGD only attains a test error of $Θ(M^{1-b} + N^{(1-b)/a})$ (see e.g., Lin et al., 2024). This suggests an improved scaling law via data reuse (i.e., choosing $L>N$) in data-constrained regimes. Numerical simulations are also provided to verify our theoretical findings.

Licong Lin, Jingfeng Wu, Sham M. Kakade et al.

Empirically, large-scale deep learning models often satisfy a neural scaling law: the test error of the trained model improves polynomially as the model size and data size grow. However, conventional wisdom suggests the test error consists of approximation, bias, and variance errors, where the variance error increases with model size. This disagrees with the general form of neural scaling laws, which predict that increasing model size monotonically improves performance. We study the theory of scaling laws in an infinite dimensional linear regression setup. Specifically, we consider a model with $M$ parameters as a linear function of sketched covariates. The model is trained by one-pass stochastic gradient descent (SGD) using $N$ data. Assuming the optimal parameter satisfies a Gaussian prior and the data covariance matrix has a power-law spectrum of degree $a>1$, we show that the reducible part of the test error is $Θ(M^{-(a-1)} + N^{-(a-1)/a})$. The variance error, which increases with $M$, is dominated by the other errors due to the implicit regularization of SGD, thus disappearing from the bound. Our theory is consistent with the empirical neural scaling laws and verified by numerical simulation.

Licong Lin, Tijana Zrnic

When predictions are performative, the choice of which predictor to deploy influences the distribution of future observations. The overarching goal in learning under performativity is to find a predictor that has low \emph{performative risk}, that is, good performance on its induced distribution. One family of solutions for optimizing the performative risk, including bandits and other derivative-free methods, is agnostic to any structure in the performative feedback, leading to exceedingly slow convergence rates. A complementary family of solutions makes use of explicit \emph{models} for the feedback, such as best-response models in strategic classification, enabling faster rates. However, these rates critically rely on the feedback model being correct. In this work we study a general protocol for making use of possibly misspecified models in performative prediction, called \emph{plug-in performative optimization}. We show this solution can be far superior to model-agnostic strategies, as long as the misspecification is not too extreme. Our results support the hypothesis that models, even if misspecified, can indeed help with learning in performative settings.

Licong Lin, Edgar Dobriban

Modern machine learning methods are often overparametrized, allowing adaptation to the data at a fine level. This can seem puzzling; in the worst case, such models do not need to generalize. This puzzle inspired a great amount of work, arguing when overparametrization reduces test error, in a phenomenon called "double descent". Recent work aimed to understand in greater depth why overparametrization is helpful for generalization. This leads to discovering the unimodality of variance as a function of the level of parametrization, and to decomposing the variance into that arising from label noise, initialization, and randomness in the training data to understand the sources of the error. In this work we develop a deeper understanding of this area. Specifically, we propose using the analysis of variance (ANOVA) to decompose the variance in the test error in a symmetric way, for studying the generalization performance of certain two-layer linear and non-linear networks. The advantage of the analysis of variance is that it reveals the effects of initialization, label noise, and training data more clearly than prior approaches. Moreover, we also study the monotonicity and unimodality of the variance components. While prior work studied the unimodality of the overall variance, we study the properties of each term in variance decomposition. One key insight is that in typical settings, the interaction between training samples and initialization can dominate the variance; surprisingly being larger than their marginal effect. Also, we characterize "phase transitions" where the variance changes from unimodal to monotone. On a technical level, we leverage advanced deterministic equivalent techniques for Haar random matrices, that -- to our knowledge -- have not yet been used in the area. We also verify our results in numerical simulations and on empirical data examples.

Yuzheng Hu, Licong Lin, Shange Tang

In this paper, we try to uncover the second-order essence of several first-order optimization methods. For Nesterov Accelerated Gradient, we rigorously prove that the algorithm makes use of the difference between past and current gradients, thus approximates the Hessian and accelerates the training. For adaptive methods, we related Adam and Adagrad to a powerful technique in computation statistics---Natural Gradient Descent. These adaptive methods can in fact be treated as relaxations of NGD with only a slight difference lying in the square root of the denominator in the update rules. Skeptical about the effect of such difference, we design a new algorithm---AdaSqrt, which removes the square root in the denominator and scales the learning rate by sqrt(T). Surprisingly, our new algorithm is comparable to various first-order methods(such as SGD and Adam) on MNIST and even beats Adam on CIFAR-10! This phenomenon casts doubt on the convention view that the square root is crucial and training without it will lead to terrible performance. As far as we have concerned, so long as the algorithm tries to explore second or even higher information of the loss surface, then proper scaling of the learning rate alone will guarantee fast training and good generalization performance. To the best of our knowledge, this is the first paper that seriously considers the necessity of square root among all adaptive methods. We believe that our work can shed light on the importance of higher-order information and inspire the design of more powerful algorithms in the future.