Goto

Collaborating Authors

 Search


Tight Sample Complexity Bounds for Best-Arm Identification Under Bounded Systematic Bias

Qian, Tianhao

arXiv.org Machine Learning

As search depth increases in autonomous reasoning and embodied planning, the candidate action space expands exponentially, heavily taxing computational budgets. While heuristic pruning is a common countermeasure, it operates without formal safety guarantees when surrogate models (like LLMs) exhibit systematic evaluation biases. This paper frames the node expansion process as a localized Best-Arm Identification (BAI) problem over dynamic frontiers, subject to a bounded systematic bias $L$. By inverting the Lambert W function, we establish an additive sample complexity of $\mathcal{O}((Δ-4L)^{-2})$, which indicates that safe node elimination is only feasible when the empirical reward gap exceeds $4L$. We complement this with an information-theoretic lower bound of $Ω((Δ-2L)^{-2})$ to confirm the structural limits of biased search. Subsequent evaluations on both synthetic trees and complex reasoning tasks demonstrate that adhering to this local safety boundary successfully preserves optimal trajectories while maximizing sample allocation efficiency.


PRIM-cipal components analysis

Liu, Tianhao, Díaz-Pachón, Daniel Andrés, Rao, J. Sunil

arXiv.org Machine Learning

EVEN supervised learning is subject to the famous NoFree Lunch Theorems [1]-[3], which say that, in combinatorial optimization, there is no universal algorithm that works better than its competitors for every objective function [4]-[6]. Indeed, David Wolpert has recently proven that, on average, cross-validation performs as well as anti-crossvalidation (choosing among a set of candidate algorithms based on which has the worst out-of-sample behavior) for supervised learning. Still, he acknowledges that "it is hard to imagine any scientist who would not prefer to use [crossvalidation] to using anti-cross-validation" [7]. On the other hand, unsupervised learning has seldom been studied from the perspective of the NFLTs. This may be because the adjective "unsupervised" suggests that no human input is needed, which is misleading as many unsupervised tasks are combinatorial optimization problems that depend on the choice of the objective function. For instance, it is well known that, among the eigenvectors of the covariance matrix, Principal Components Analysis selects those with the largest variances [8]. However, mode-hunting techniques that rely on spectral manipulation aim at the opposite objective: selecting the eigenvectors of the covariance matrix with the smallest variances [9], [10]. Therefore, unlike in supervised learning, where it is difficult to identify reasons to optimize with respect to anti-cross-validation, in unsupervised learning there are strong reasons to reduce dimensionality for variance minimization. D. A. D ıaz-Pach on and T. Liu are with the Division of Biostatistics, University of Miami, Miami, FL, 33136 USA (e-mail: ddiaz3@miami.edu,


Order-Optimal Sequential 1-Bit Mean Estimation in General Tail Regimes

Lau, Ivan, Scarlett, Jonathan

arXiv.org Machine Learning

In this paper, we study the problem of mean estimation under strict 1-bit communication constraints. We propose a novel adaptive mean estimator based solely on randomized threshold queries, where each 1-bit outcome indicates whether a given sample exceeds a sequentially chosen threshold. Our estimator is $(ε, δ)$-PAC for any distribution with a bounded mean $μ\in [-λ, λ]$ and a bounded $k$-th central moment $\mathbb{E}[|X-μ|^k] \le σ^k$ for any fixed $k > 1$. Crucially, our sample complexity is order-optimal in all such tail regimes, i.e., for every such $k$ value. For $k \neq 2$, our estimator's sample complexity matches the unquantized minimax lower bounds plus an unavoidable $O(\log(λ/σ))$ localization cost. For the finite-variance case ($k=2$), our estimator's sample complexity has an extra multiplicative $O(\log(σ/ε))$ penalty, and we establish a novel information-theoretic lower bound showing that this penalty is a fundamental limit of 1-bit quantization. We also establish a significant adaptivity gap: for both threshold queries and more general interval queries, the sample complexity of any non-adaptive estimator must scale linearly with the search space parameter $λ/σ$, rendering it vastly less sample efficient than our adaptive approach. Finally, we present algorithmic variants that (i) handle an unknown sampling budget, (ii) adapt to an unknown scale parameter~$σ$ given (possibly loose) bounds, and (iii) require only two stages of adaptivity at the expense of more complicated general 1-bit queries.


Efficient machine unlearning with minimax optimality

Xie, Jingyi, Zhang, Linjun, Li, Sai

arXiv.org Machine Learning

There is a growing demand for efficient data removal to comply with regulations like the GDPR and to mitigate the influence of biased or corrupted data. This has motivated the field of machine unlearning, which aims to eliminate the influence of specific data subsets without the cost of full retraining. In this work, we propose a statistical framework for machine unlearning with generic loss functions and establish theoretical guarantees. For squared loss, especially, we develop Unlearning Least Squares (ULS) and establish its minimax optimality for estimating the model parameter of remaining data when only the pre-trained estimator, forget samples, and a small subsample of the remaining data are available. Our results reveal that the estimation error decomposes into an oracle term and an unlearning cost determined by the forget proportion and the forget model bias. We further establish asymptotically valid inference procedures without requiring full retraining. Numerical experiments and real-data applications demonstrate that the proposed method achieves performance close to retraining while requiring substantially less data access.


Shape-Adaptive Conditional Calibration for Conformal Prediction via Minimax Optimization

Bao, Yajie, Zhang, Chuchen, Wang, Zhaojun, Ren, Haojie, Zou, Changliang

arXiv.org Machine Learning

Achieving valid conditional coverage in conformal prediction is challenging due to the theoretical difficulty of satisfying pointwise constraints in finite samples. Building upon the characterization of conditional coverage through marginal moment restrictions, we introduce Minimax Optimization Predictive Inference (MOPI), a framework that generalizes prior work by optimizing over a flexible class of set-valued mappings during the calibration phase, rather than simply calibrating a fixed sublevel set. This minimax formulation effectively circumvents the structural constraints of predefined score functions, achieving superior shape adaptivity while maintaining a principled connection to the minimization of mean squared coverage error. Theoretically, we provide non-asymptotic oracle inequalities and show that the convergence rate of the coverage error attains the optimal order under regular conditions. The MOPI also enables valid inference conditional on sensitive attributes that are available during calibration but unobserved at test time. Empirical results on complex, non-standard conditional distributions demonstrate that MOPI produces more efficient prediction sets than existing baselines.


Computational and Statistical Hardness of Calibration Distance

Qiao, Mingda

arXiv.org Machine Learning

The distance from calibration, introduced by Błasiok, Gopalan, Hu, and Nakkiran (STOC 2023), has recently emerged as a central measure of miscalibration for probabilistic predictors. We study the fundamental problems of computing and estimating this quantity, given either an exact description of the data distribution or only sample access to it. We give an efficient algorithm that exactly computes the calibration distance when the distribution has a uniform marginal and noiseless labels, which improves the $O(1/\sqrt{|\mathcal{X}|})$ additive approximation of Qiao and Zheng (COLT 2024) for this special case. Perhaps surprisingly, the problem becomes $\mathsf{NP}$-hard when either of the two assumptions is removed. We extend our algorithm to a polynomial-time approximation scheme for the general case. For the estimation problem, we show that $Θ(1/ε^3)$ samples are sufficient and necessary for the empirical calibration distance to be upper bounded by the true distance plus $ε$. In contrast, a polynomial dependence on the domain size -- incurred by the learning-based baseline -- is unavoidable for two-sided estimation. Our positive results are based on simple sparsifications of both the distribution and the target predictor, which significantly reduce the search space for computation and lead to stronger concentration for the estimation problem. To prove the hardness results, we introduce new techniques for certifying lower bounds on the calibration distance -- a problem that is hard in general due to its $\textsf{co-NP}$-completeness.


Learning Chordal Markov Networks via Branch and Bound

Neural Information Processing Systems

We present a new algorithmic approach for the task of finding a chordal Markov network structure that maximizes a given scoring function. The algorithm is based on branch and bound and integrates dynamic programming for both domain pruning and for obtaining strong bounds for search-space pruning. Empirically, we show that the approach dominates in terms of running times a recent integer programming approach (and thereby also a recent constraint optimization approach) for the problem.


Monte-Carlo Tree Search by Best Arm Identification

Neural Information Processing Systems

Recent advances in bandit tools and techniques for sequential learning are steadily enabling new applications and are promising the resolution of a range of challenging related problems. We study the game tree search problem, where the goal is to quickly identify the optimal move in a given game tree by sequentially sampling its stochastic payoffs. We develop new algorithms for trees of arbitrary depth, that operate by summarizing all deeper levels of the tree into confidence intervals at depth one, and applying a best arm identification procedure at the root. We prove new sample complexity guarantees with a refined dependence on the problem instance. We show experimentally that our algorithms outperform existing elimination-based algorithms and match previous special-purpose methods for depth-two trees.


On the Optimization Landscape of Tensor Decompositions

Neural Information Processing Systems

Non-convex optimization with local search heuristics has been widely used in machine learning, achieving many state-of-art results. It becomes increasingly important to understand why they can work for these NP-hard problems on typical data. The landscape of many objective functions in learning has been conjectured to have the geometric property that ``all local optima are (approximately) global optima'', and thus they can be solved efficiently by local search algorithms. However, establishing such property can be very difficult. In this paper, we analyze the optimization landscape of the random over-complete tensor decomposition problem, which has many applications in unsupervised leaning, especially in learning latent variable models.


Minimax Estimation of Bandable Precision Matrices

Neural Information Processing Systems

The inverse covariance matrix provides considerable insight for understanding statistical models in the multivariate setting. In particular, when the distribution over variables is assumed to be multivariate normal, the sparsity pattern in the inverse covariance matrix, commonly referred to as the precision matrix, corresponds to the adjacency matrix representation of the Gauss-Markov graph, which encodes conditional independence statements between variables. Minimax results under the spectral norm have previously been established for covariance matrices, both sparse and banded, and for sparse precision matrices. We establish minimax estimation bounds for estimating banded precision matrices under the spectral norm. Our results greatly improve upon the existing bounds; in particular, we find that the minimax rate for estimating banded precision matrices matches that of estimating banded covariance matrices. The key insight in our analysis is that we are able to obtain barely-noisy estimates of $k \times k$ subblocks of the precision matrix by inverting slightly wider blocks of the empirical covariance matrix along the diagonal. Our theoretical results are complemented by experiments demonstrating the sharpness of our bounds.