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 Statistical Learning


Going from a Representative Agent to Counterfactuals in Combinatorial Choice

arXiv.org Machine Learning

We study decision-making problems where data comprises points from a collection of binary polytopes, capturing aggregate information stemming from various combinatorial selection environments. We propose a nonparametric approach for counterfactual inference in this setting based on a representative agent model, where the available data is viewed as arising from maximizing separable concave utility functions over the respective binary polytopes. Our first contribution is to precisely characterize the selection probabilities representable under this model and show that verifying the consistency of any given aggregated selection dataset reduces to solving a polynomial-sized linear program. Building on this characterization, we develop a nonparametric method for counterfactual prediction. When data is inconsistent with the model, finding a best-fitting approximation for prediction reduces to solving a compact mixed-integer convex program. Numerical experiments based on synthetic data demonstrate the method's flexibility, predictive accuracy, and strong representational power even under model misspecification.


How Transformers Learn Regular Language Recognition: A Theoretical Study on Training Dynamics and Implicit Bias

arXiv.org Machine Learning

Language recognition tasks are fundamental in natural language processing (NLP) and have been widely used to benchmark the performance of large language models (LLMs). These tasks also play a crucial role in explaining the working mechanisms of transformers. In this work, we focus on two representative tasks in the category of regular language recognition, known as `even pairs' and `parity check', the aim of which is to determine whether the occurrences of certain subsequences in a given sequence are even. Our goal is to explore how a one-layer transformer, consisting of an attention layer followed by a linear layer, learns to solve these tasks by theoretically analyzing its training dynamics under gradient descent. While even pairs can be solved directly by a one-layer transformer, parity check need to be solved by integrating Chain-of-Thought (CoT), either into the inference stage of a transformer well-trained for the even pairs task, or into the training of a one-layer transformer. For both problems, our analysis shows that the joint training of attention and linear layers exhibits two distinct phases. In the first phase, the attention layer grows rapidly, mapping data sequences into separable vectors. In the second phase, the attention layer becomes stable, while the linear layer grows logarithmically and approaches in direction to a max-margin hyperplane that correctly separates the attention layer outputs into positive and negative samples, and the loss decreases at a rate of $O(1/t)$. Our experiments validate those theoretical results.


Revisit CP Tensor Decomposition: Statistical Optimality and Fast Convergence

arXiv.org Machine Learning

Canonical Polyadic (CP) tensor decomposition is a fundamental technique for analyzing high-dimensional tensor data. While the Alternating Least Squares (ALS) algorithm is widely used for computing CP decomposition due to its simplicity and empirical success, its theoretical foundation, particularly regarding statistical optimality and convergence behavior, remain underdeveloped, especially in noisy, non-orthogonal, and higher-rank settings. In this work, we revisit CP tensor decomposition from a statistical perspective and provide a comprehensive theoretical analysis of ALS under a signal-plus-noise model. We establish non-asymptotic, minimax-optimal error bounds for tensors of general order, dimensions, and rank, assuming suitable initialization. To enable such initialization, we propose Tucker-based Approximation with Simultaneous Diagonalization (TASD), a robust method that improves stability and accuracy in noisy regimes. Combined with ALS, TASD yields a statistically consistent estimator. We further analyze the convergence dynamics of ALS, identifying a two-phase pattern-initial quadratic convergence followed by linear refinement. We further show that in the rank-one setting, ALS with an appropriately chosen initialization attains optimal error within just one or two iterations.


JAPAN: Joint Adaptive Prediction Areas with Normalising-Flows

arXiv.org Machine Learning

Conformal prediction provides a model-agnostic framework for uncertainty quantification with finite-sample validity guarantees, making it an attractive tool for constructing reliable prediction sets. However, existing approaches commonly rely on residual-based conformity scores, which impose geometric constraints and struggle when the underlying distribution is multimodal. In particular, they tend to produce overly conservative prediction areas centred around the mean, often failing to capture the true shape of complex predictive distributions. In this work, we introduce JAPAN (Joint Adaptive Prediction Areas with Normalising-Flows), a conformal prediction framework that uses density-based conformity scores. By leveraging flow-based models, JAPAN estimates the (predictive) density and constructs prediction areas by thresholding on the estimated density scores, enabling compact, potentially disjoint, and context-adaptive regions that retain finite-sample coverage guarantees. We theoretically motivate the efficiency of JAPAN and empirically validate it across multivariate regression and forecasting tasks, demonstrating good calibration and tighter prediction areas compared to existing baselines. We also provide several \emph{extensions} adding flexibility to our proposed framework.


Private Rate-Constrained Optimization with Applications to Fair Learning

arXiv.org Machine Learning

Many problems in trustworthy ML can be formulated as minimization of the model error under constraints on the prediction rates of the model for suitably-chosen marginals, including most group fairness constraints (demographic parity, equality of odds, etc.). In this work, we study such constrained minimization problems under differential privacy (DP). Standard DP optimization techniques like DP-SGD rely on the loss function's decomposability into per-sample contributions. However, rate constraints introduce inter-sample dependencies, violating the decomposability requirement. To address this, we develop RaCO-DP, a DP variant of the Stochastic Gradient Descent-Ascent (SGDA) algorithm which solves the Lagrangian formulation of rate constraint problems. We demonstrate that the additional privacy cost of incorporating these constraints reduces to privately estimating a histogram over the mini-batch at each optimization step. We prove the convergence of our algorithm through a novel analysis of SGDA that leverages the linear structure of the dual parameter. Finally, empirical results on learning under group fairness constraints demonstrate that our method Pareto-dominates existing private learning approaches in fairness-utility trade-offs.


Improved Last-Iterate Convergence of Shuffling Gradient Methods for Nonsmooth Convex Optimization

arXiv.org Machine Learning

We study the convergence of the shuffling gradient method, a popular algorithm employed to minimize the finite-sum function with regularization, in which functions are passed to apply (Proximal) Gradient Descent (GD) one by one whose order is determined by a permutation on the indices of functions. In contrast to its easy implementation and effective performance in practice, the theoretical understanding remains limited. A recent advance by (Liu & Zhou, 2024b) establishes the first last-iterate convergence results under various settings, especially proving the optimal rates for smooth (strongly) convex optimization. However, their bounds for nonsmooth (strongly) convex functions are only as fast as Proximal GD. In this work, we provide the first improved last-iterate analysis for the nonsmooth case demonstrating that the widely used Random Reshuffle ($\textsf{RR}$) and Single Shuffle ($\textsf{SS}$) strategies are both provably faster than Proximal GD, reflecting the benefit of randomness. As an important implication, we give the first (nearly) optimal convergence result for the suffix average under the $\textsf{RR}$ sampling scheme in the general convex case, matching the lower bound shown by (Koren et al., 2022).


Epistemic Errors of Imperfect Multitask Learners When Distributions Shift

arXiv.org Machine Learning

When data are noisy, a statistical learner's goal is to resolve epistemic uncertainty about the data it will encounter at test-time, i.e., to identify the distribution of test (target) data. Many real-world learning settings introduce sources of epistemic uncertainty that can not be resolved on the basis of training (source) data alone: The source data may arise from multiple tasks (multitask learning), the target data may differ systematically from the source data tasks (distribution shift), and/or the learner may not arrive at an accurate characterization of the source data (imperfect learning). We introduce a principled definition of epistemic error, and provide a generic, decompositional epistemic error bound. Our error bound is the first to (i) consider epistemic error specifically, (ii) accommodate all the sources of epistemic uncertainty above, and (iii) separately attribute the error to each of multiple aspects of the learning procedure and environment. As corollaries of the generic result, we provide (i) epistemic error bounds specialized to the settings of Bayesian transfer learning and distribution shift within $ε$-neighborhoods, and (ii) a set of corresponding generalization bounds. Finally, we provide a novel definition of negative transfer, and validate its insights in a synthetic experimental setting.


Stable Thompson Sampling: Valid Inference via Variance Inflation

arXiv.org Machine Learning

We consider the problem of statistical inference when the data is collected via a Thompson Sampling-type algorithm. While Thompson Sampling (TS) is known to be both asymptotically optimal and empirically effective, its adaptive sampling scheme poses challenges for constructing confidence intervals for model parameters. We propose and analyze a variant of TS, called Stable Thompson Sampling, in which the posterior variance is inflated by a logarithmic factor. We show that this modification leads to asymptotically normal estimates of the arm means, despite the non-i.i.d. nature of the data. Importantly, this statistical benefit comes at a modest cost: the variance inflation increases regret by only a logarithmic factor compared to standard TS. Our results reveal a principled trade-off: by paying a small price in regret, one can enable valid statistical inference for adaptive decision-making algorithms.


Smart Surrogate Losses for Contextual Stochastic Linear Optimization with Robust Constraints

arXiv.org Machine Learning

We study an extension of contextual stochastic linear optimization (CSLO) that, in contrast to most of the existing literature, involves inequality constraints that depend on uncertain parameters predicted by a machine learning model. To handle the constraint uncertainty, we use contextual uncertainty sets constructed via methods like conformal prediction. Given a contextual uncertainty set method, we introduce the "Smart Predict-then-Optimize with Robust Constraints" (SPO-RC) loss, a feasibility-sensitive adaptation of the SPO loss that measures decision error of predicted objective parameters. We also introduce a convex surrogate, SPO-RC+, and prove Fisher consistency with SPO-RC. To enhance performance, we train on truncated datasets where true constraint parameters lie within the uncertainty sets, and we correct the induced sample selection bias using importance reweighting techniques. Through experiments on fractional knapsack and alloy production problem instances, we demonstrate that SPO-RC+ effectively handles uncertainty in constraints and that combining truncation with importance reweighting can further improve performance.


Efficient Parameter Estimation for Bayesian Network Classifiers using Hierarchical Linear Smoothing

arXiv.org Machine Learning

Bayesian network classifiers (BNCs) possess a number of properties desirable for a modern classifier: They are easily interpretable, highly scalable, and offer adaptable complexity. However, traditional methods for learning BNCs have historically underperformed when compared to leading classification methods such as random forests. Recent parameter smoothing techniques using hierarchical Dirichlet processes (HDPs) have enabled BNCs to achieve performance competitive with random forests on categorical data, but these techniques are relatively inflexible, and require a complicated, specialized sampling process. In this paper, we introduce a novel method for parameter estimation that uses a log-linear regression to approximate the behaviour of HDPs. As a linear model, our method is remarkably flexible and simple to interpret, and can leverage the vast literature on learning linear models. Our experiments show that our method can outperform HDP smoothing while being orders of magnitude faster, remaining competitive with random forests on categorical data.