An Overview of Large Language Models for Statisticians

Large Language Models (LLMs) have emerged as transformative tools in artificial intelligence (AI), exhibiting remarkable capabilities across diverse tasks such as text generation, reasoning, and decision-making. While their success has primarily been driven by advances in computational power and deep learning architectures, emerging problems -- in areas such as uncertainty quantification, decision-making, causal inference, and distribution shift -- require a deeper engagement with the field of statistics. This paper explores potential areas where statisticians can make important contributions to the development of LLMs, particularly those that aim to engender trustworthiness and transparency for human users. Thus, we focus on issues such as uncertainty quantification, interpretability, fairness, privacy, watermarking and model adaptation. We also consider possible roles for LLMs in statistical analysis. By bridging AI and statistics, we aim to foster a deeper collaboration that advances both the theoretical foundations and practical applications of LLMs, ultimately shaping their role in addressing complex societal challenges.

How Do LLMs Perform Two-Hop Reasoning in Context?

"Socrates is human. All humans are mortal. Therefore, Socrates is mortal." This classical example demonstrates two-hop reasoning, where a conclusion logically follows from two connected premises. While transformer-based Large Language Models (LLMs) can make two-hop reasoning, they tend to collapse to random guessing when faced with distracting premises. To understand the underlying mechanism, we train a three-layer transformer on synthetic two-hop reasoning tasks. The training dynamics show two stages: a slow learning phase, where the 3-layer transformer performs random guessing like LLMs, followed by an abrupt phase transitions, where the 3-layer transformer suddenly reaches $100%$ accuracy. Through reverse engineering, we explain the inner mechanisms for how models learn to randomly guess between distractions initially, and how they learn to ignore distractions eventually. We further propose a three-parameter model that supports the causal claims for the mechanisms to the training dynamics of the transformer. Finally, experiments on LLMs suggest that the discovered mechanisms generalize across scales. Our methodologies provide new perspectives for scientific understandings of LLMs and our findings provide new insights into how reasoning emerges during training.

Conformal Prediction under Lévy-Prokhorov Distribution Shifts: Robustness to Local and Global Perturbations

Conformal prediction provides a powerful framework for constructing prediction intervals with finite-sample guarantees, yet its robustness under distribution shifts remains a significant challenge. This paper addresses this limitation by modeling distribution shifts using L\'evy-Prokhorov (LP) ambiguity sets, which capture both local and global perturbations. We provide a self-contained overview of LP ambiguity sets and their connections to popular metrics such as Wasserstein and Total Variation. We show that the link between conformal prediction and LP ambiguity sets is a natural one: by propagating the LP ambiguity set through the scoring function, we reduce complex high-dimensional distribution shifts to manageable one-dimensional distribution shifts, enabling exact quantification of worst-case quantiles and coverage. Building on this analysis, we construct robust conformal prediction intervals that remain valid under distribution shifts, explicitly linking LP parameters to interval width and confidence levels. Experimental results on real-world datasets demonstrate the effectiveness of the proposed approach.

Statistical Collusion by Collectives on Learning Platforms

As platforms increasingly rely on learning algorithms, collectives may form and seek ways to influence these platforms to align with their own interests. This can be achieved by coordinated submission of altered data. To evaluate the potential impact of such behavior, it is essential to understand the computations that collectives must perform to impact platforms in this way. In particular, collectives need to make a priori assessments of the effect of the collective before taking action, as they may face potential risks when modifying their data. Moreover they need to develop implementable coordination algorithms based on quantities that can be inferred from observed data. We develop a framework that provides a theoretical and algorithmic treatment of these issues and present experimental results in a product evaluation domain.

Rethinking Early Stopping: Refine, Then Calibrate

Machine learning classifiers often produce probabilistic predictions that are critical for accurate and interpretable decision-making in various domains. The quality of these predictions is generally evaluated with proper losses like cross-entropy, which decompose into two components: calibration error assesses general under/overconfidence, while refinement error measures the ability to distinguish different classes. In this paper, we provide theoretical and empirical evidence that these two errors are not minimized simultaneously during training. Selecting the best training epoch based on validation loss thus leads to a compromise point that is suboptimal for both calibration error and, most importantly, refinement error. To address this, we introduce a new metric for early stopping and hyperparameter tuning that makes it possible to minimize refinement error during training. The calibration error is minimized after training, using standard techniques. Our method integrates seamlessly with any architecture and consistently improves performance across diverse classification tasks.

The Sample Complexity of Online Reinforcement Learning: A Multi-model Perspective

We study the sample complexity of online reinforcement learning for nonlinear dynamical systems with continuous state and action spaces. Our analysis accommodates a large class of dynamical systems ranging from a finite set of nonlinear candidate models to models with bounded and Lipschitz continuous dynamics, to systems that are parametrized by a compact and real-valued set of parameters. In the most general setting, our algorithm achieves a policy regret of $\mathcal{O}(N \epsilon^2 + \mathrm{ln}(m(\epsilon))/\epsilon^2)$, where $N$ is the time horizon, $\epsilon$ is a user-specified discretization width, and $m(\epsilon)$ measures the complexity of the function class under consideration via its packing number. In the special case where the dynamics are parametrized by a compact and real-valued set of parameters (such as neural networks, transformers, etc.), we prove a policy regret of $\mathcal{O}(\sqrt{N p})$, where $p$ denotes the number of parameters, recovering earlier sample-complexity results that were derived for linear time-invariant dynamical systems. While this article focuses on characterizing sample complexity, the proposed algorithms are likely to be useful in practice, due to their simplicity, the ability to incorporate prior knowledge, and their benign transient behavior.

Conformal Prediction Sets with Improved Conditional Coverage using Trust Scores

Standard conformal prediction offers a marginal guarantee on coverage, but for prediction sets to be truly useful, they should ideally ensure coverage conditional on each test point. Unfortunately, it is impossible to achieve exact, distribution-free conditional coverage in finite samples. In this work, we propose an alternative conformal prediction algorithm that targets coverage where it matters most--in instances where a classifier is overconfident in its incorrect predictions. We start by dissecting miscoverage events in marginally-valid conformal prediction, and show that miscoverage rates vary based on the classifier's confidence and its deviation from the Bayes optimal classifier. Motivated by this insight, we develop a variant of conformal prediction that targets coverage conditional on a reduced set of two variables: the classifier's confidence in a prediction and a nonparametric trust score that measures its deviation from the Bayes classifier. Empirical evaluation on multiple image datasets shows that our method generally improves conditional coverage properties compared to standard conformal prediction, including class-conditional coverage, coverage over arbitrary subgroups, and coverage over demographic groups.

Gradient Equilibrium in Online Learning: Theory and Applications

We present a new perspective on online learning that we refer to as gradient equilibrium: a sequence of iterates achieves gradient equilibrium if the average of gradients of losses along the sequence converges to zero. In general, this condition is not implied by nor implies sublinear regret. It turns out that gradient equilibrium is achievable by standard online learning methods such as gradient descent and mirror descent with constant step sizes (rather than decaying step sizes, as is usually required for no regret). Further, as we show through examples, gradient equilibrium translates into an interpretable and meaningful property in online prediction problems spanning regression, classification, quantile estimation, and others. Notably, we show that the gradient equilibrium framework can be used to develop a debiasing scheme for black-box predictions under arbitrary distribution shift, based on simple post hoc online descent updates. We also show that post hoc gradient updates can be used to calibrate predicted quantiles under distribution shift, and that the framework leads to unbiased Elo scores for pairwise preference prediction.

An Optimistic Algorithm for Online Convex Optimization with Adversarial Constraints

We study Online Convex Optimization (OCO) with adversarial constraints, where an online algorithm must make repeated decisions to minimize both convex loss functions and cumulative constraint violations. We focus on a setting where the algorithm has access to predictions of the loss and constraint functions. Our results show that we can improve the current best bounds of $ O(\sqrt{T}) $ regret and $ \tilde{O}(\sqrt{T}) $ cumulative constraint violations to $ O(\sqrt{E_T(f)}) $ and $ \tilde{O}(\sqrt{E_T(g)}) $, respectively, where $ E_T(f) $ and $ E_T(g) $ represent the cumulative prediction errors of the loss and constraint functions. In the worst case, where $ E_T(f) = O(T) $ and $ E_T(g) = O(T) $ (assuming bounded loss and constraint functions), our rates match the prior $ O(\sqrt{T}) $ results. However, when the loss and constraint predictions are accurate, our approach yields significantly smaller regret and cumulative constraint violations. Notably, if the constraint function remains constant over time, we achieve $ \tilde{O}(1) $ cumulative constraint violation, aligning with prior results.

Dimension-free Private Mean Estimation for Anisotropic Distributions

We present differentially private algorithms for high-dimensional mean estimation. Previous private estimators on distributions over $\mathbb{R}^d$ suffer from a curse of dimensionality, as they require $\Omega(d^{1/2})$ samples to achieve non-trivial error, even in cases where $O(1)$ samples suffice without privacy. This rate is unavoidable when the distribution is isotropic, namely, when the covariance is a multiple of the identity matrix, or when accuracy is measured with respect to the affine-invariant Mahalanobis distance. Yet, real-world data is often highly anisotropic, with signals concentrated on a small number of principal components. We develop estimators that are appropriate for such signals$\unicode{x2013}$our estimators are $(\varepsilon,\delta)$-differentially private and have sample complexity that is dimension-independent for anisotropic subgaussian distributions. Given $n$ samples from a distribution with known covariance-proxy $\Sigma$ and unknown mean $\mu$, we present an estimator $\hat{\mu}$ that achieves error $\|\hat{\mu}-\mu\|_2\leq \alpha$, as long as $n\gtrsim\mathrm{tr}(\Sigma)/\alpha^2+ \mathrm{tr}(\Sigma^{1/2})/(\alpha\varepsilon)$. In particular, when $\pmb{\sigma}^2=(\sigma_1^2, \ldots, \sigma_d^2)$ are the singular values of $\Sigma$, we have $\mathrm{tr}(\Sigma)=\|\pmb{\sigma}\|_2^2$ and $\mathrm{tr}(\Sigma^{1/2})=\|\pmb{\sigma}\|_1$, and hence our bound avoids dimension-dependence when the signal is concentrated in a few principal components. We show that this is the optimal sample complexity for this task up to logarithmic factors. Moreover, for the case of unknown covariance, we present an algorithm whose sample complexity has improved dependence on the dimension, from $d^{1/2}$ to $d^{1/4}$.