Statistical Learning
Asymptotically optimal reinforcement learning in Block Markov Decision Processes
van Vuren, Thomas, Sloothaak, Fiona, Wolf, Maarten G., Sanders, Jaron
The curse of dimensionality renders Reinforcement Learning (RL) impractical in many real-world settings with exponentially large state and action spaces. Yet, many environments exhibit exploitable structure that can accelerate learning. To formalize this idea, we study RL in Block Markov Decision Processes (BMDPs). BMDPs model problems with large observation spaces, but where transition dynamics are fully determined by latent states. Recent advances in clustering methods have enabled the efficient recovery of this latent structure. However, a regret analysis that exploits these techniques to determine their impact on learning performance remained open. We are now addressing this gap by providing a regret analysis that explicitly leverages clustering, demonstrating that accurate latent state estimation can indeed effectively speed up learning. Concretely, this paper analyzes a two-phase RL algorithm for BMDPs that first learns the latent structure through random exploration and then switches to an optimism-guided strategy adapted to the uncovered structure. This algorithm achieves a regret that is $O(\sqrt{T}+n)$ on a large class of BMDPs susceptible to clustering. Here, $T$ denotes the number of time steps, $n$ is the cardinality of the observation space, and the Landau notation $O(\cdot)$ holds up to constants and polylogarithmic factors. This improves the best prior bound, $O(\sqrt{T}+n^2)$, especially when $n$ is large. Moreover, we prove that no algorithm can achieve lower regret uniformly on this same class of BMDPs. This establishes that, on this class, the algorithm achieves asymptotic optimality.
Towards an Asymptotic Efficiency Theory on Regular Parameter Manifolds
Sun, Lvfang, Lin, Zhenhua, Liu, Lin
Asymptotic efficiency theory is one of the pillars in the foundations of modern mathematical statistics. Not only does it serve as a rigorous theoretical benchmark for evaluating statistical methods, but it also sheds light on how to develop and unify novel statistical procedures. For example, the calculus of influence functions has led to many important statistical breakthroughs in the past decades. Responding to the pressing challenge of analyzing increasingly complex datasets, particularly those with non-Euclidean/nonlinear structures, many novel statistical models and methods have been proposed in recent years. However, the existing efficiency theory is not always readily applicable to these cases, as the theory was developed, for the most part, under the often neglected premise that both the sample space and the parameter space are normed linear spaces. As a consequence, efficiency results outside normed linear spaces are quite rare and isolated, obtained on a case-by-case basis. This paper aims to develop a more unified asymptotic efficiency theory, allowing the sample space, the parameter space, or both to be Riemannian manifolds satisfying certain regularity conditions. We build a vocabulary that helps translate essential concepts in efficiency theory from normed linear spaces to Riemannian manifolds, such as (locally) regular estimators, differentiable functionals, etc. Efficiency bounds are established under conditions parallel to those for normed linear spaces. We also demonstrate the conceptual advantage of the new framework by applying it to two concrete examples in statistics: the population Frechet mean and the regression coefficient vector of Single-Index Models.
Data-intrinsic approximation in metric spaces
Dölz, Jürgen, Multerer, Michael
Analysis and processing of data is a vital part of our modern society and requires vast amounts of computational resources. To reduce the computational burden, compressing and approximating data has become a central topic. We consider the approximation of labeled data samples, mathematically described as site-to-value maps between finite metric spaces. Within this setting, we identify the discrete modulus of continuity as an effective data-intrinsic quantity to measure regularity of site-to-value maps without imposing further structural assumptions. We investigate the consistency of the discrete modulus of continuity in the infinite data limit and propose an algorithm for its efficient computation. Building on these results, we present a sample based approximation theory for labeled data. For data subject to statistical uncertainty we consider multilevel approximation spaces and a variant of the multilevel Monte Carlo method to compute statistical quantities of interest. Our considerations connect approximation theory for labeled data in metric spaces to the covering problem for (random) balls on the one hand and the efficient evaluation of the discrete modulus of continuity to combinatorial optimization on the other hand. We provide extensive numerical studies to illustrate the feasibility of the approach and to validate our theoretical results.
Near-Optimality of Contrastive Divergence Algorithms
Glaser, Pierre, Huang, Kevin Han, Gretton, Arthur
We perform a non-asymptotic analysis of the contrastive divergence (CD) algorithm, a training method for unnormalized models. While prior work has established that (for exponential family distributions) the CD iterates asymptotically converge at an $O(n^{-1 / 3})$ rate to the true parameter of the data distribution, we show, under some regularity assumptions, that CD can achieve the parametric rate $O(n^{-1 / 2})$. Our analysis provides results for various data batching schemes, including the fully online and minibatch ones. We additionally show that CD can be near-optimal, in the sense that its asymptotic variance is close to the Cramér-Rao lower bound.
The $ϕ$-PCA Framework: A Unified and Efficiency-Preserving Approach with Robust Variants
Hung, Hung, Jou, Zhi-Yu, Huang, Su-Yun, Eguchi, Shinto
Principal component analysis (PCA) is a fundamental tool in multivariate statistics, yet its sensitivity to outliers and limitations in distributed environments restrict its effectiveness in modern large-scale applications. To address these challenges, we introduce the $ϕ$-PCA framework which provides a unified formulation of robust and distributed PCA. The class of $ϕ$-PCA methods retains the asymptotic efficiency of standard PCA, while aggregating multiple local estimates using a proper $ϕ$ function enhances ordering-robustness, leading to more accurate eigensubspace estimation under contamination. Notably, the harmonic mean PCA (HM-PCA), corresponding to the choice $ϕ(u)=u^{-1}$, achieves optimal ordering-robustness and is recommended for practical use. Theoretical results further show that robustness increases with the number of partitions, a phenomenon seldom explored in the literature on robust or distributed PCA. Altogether, the partition-aggregation principle underlying $ϕ$-PCA offers a general strategy for developing robust and efficiency-preserving methodologies applicable to both robust and distributed data analysis.
Neural Triangular Transport Maps: A New Approach Towards Sampling in Lattice QCD
Bryutkin, Andrey, Marzouk, Youssef
Lattice field theories are fundamental testbeds for computational physics; yet, sampling their Boltzmann distributions remains challenging due to multimodality and long-range correlations. While normalizing flows offer a promising alternative, their application to large lattices is often constrained by prohibitive memory requirements and the challenge of maintaining sufficient model expressivity. We propose sparse triangular transport maps that explicitly exploit the conditional independence structure of the lattice graph under periodic boundary conditions using monotone rectified neural networks (MRNN). We introduce a comprehensive framework for triangular transport maps that navigates the fundamental trade-off between \emph{exact sparsity} (respecting marginal conditional independence in the target distribution) and \emph{approximate sparsity} (computational tractability without fill-ins). Restricting each triangular map component to a local past enables site-wise parallel evaluation and linear time complexity in lattice size $N$, while preserving the expressive, invertible structure. Using $ϕ^4$ in two dimensions as a controlled setting, we analyze how node labelings (orderings) affect the sparsity and performance of triangular maps. We compare against Hybrid Monte Carlo (HMC) and established flow approaches (RealNVP).
Gaussian Certified Unlearning in High Dimensions: A Hypothesis Testing Approach
Pandey, Aaradhya, Auddy, Arnab, Zou, Haolin, Maleki, Arian, Kulkarni, Sanjeev
Machine unlearning seeks to efficiently remove the influence of selected data while preserving generalization. Significant progress has been made in low dimensions $(p \ll n)$, but high dimensions pose serious theoretical challenges as standard optimization assumptions of $Ω(1)$ strong convexity and $O(1)$ smoothness of the per-example loss $f$ rarely hold simultaneously in proportional regimes $(p\sim n)$. In this work, we introduce $\varepsilon$-Gaussian certifiability, a canonical and robust notion well-suited to high-dimensional regimes, that optimally captures a broad class of noise adding mechanisms. Then we theoretically analyze the performance of a widely used unlearning algorithm based on one step of the Newton method in the high-dimensional setting described above. Our analysis shows that a single Newton step, followed by a well-calibrated Gaussian noise, is sufficient to achieve both privacy and accuracy in this setting. This result stands in sharp contrast to the only prior work that analyzes machine unlearning in high dimensions \citet{zou2025certified}, which relaxes some of the standard optimization assumptions for high-dimensional applicability, but operates under the notion of $\varepsilon$-certifiability. That work concludes %that a single Newton step is insufficient even for removing a single data point, and that at least two steps are required to ensure both privacy and accuracy. Our result leads us to conclude that the discrepancy in the number of steps arises because of the sub optimality of the notion of $\varepsilon$-certifiability and its incompatibility with noise adding mechanisms, which $\varepsilon$-Gaussian certifiability is able to overcome optimally.
Absolute indices for determining compactness, separability and number of clusters
Bagirov, Adil M., Aliguliyev, Ramiz M., Sultanova, Nargiz, Taheri, Sona
Finding "true" clusters in a data set is a challenging problem. Clustering solutions obtained using different models and algorithms do not necessarily provide compact and well-separated clusters or the optimal number of clusters. Cluster validity indices are commonly applied to identify such clusters. Nevertheless, these indices are typically relative, and they are used to compare clustering algorithms or choose the parameters of a clustering algorithm. Moreover, the success of these indices depends on the underlying data structure. This paper introduces novel absolute cluster indices to determine both the compactness and separability of clusters. We define a compactness function for each cluster and a set of neighboring points for cluster pairs. This function is utilized to determine the compactness of each cluster and the whole cluster distribution. The set of neighboring points is used to define the margin between clusters and the overall distribution margin. The proposed compactness and separability indices are applied to identify the true number of clusters. Using a number of synthetic and real-world data sets, we demonstrate the performance of these new indices and compare them with other widely-used cluster validity indices.
Conformal Inference for Open-Set and Imbalanced Classification
Xie, Tianmin, Zhou, Yanfei, Liang, Ziyi, Favaro, Stefano, Sesia, Matteo
This paper presents a conformal prediction method for classification in highly imbalanced and open-set settings, where there are many possible classes and not all may be represented in the data. Existing approaches require a finite, known label space and typically involve random sample splitting, which works well when there is a sufficient number of observations from each class. Consequently, they have two limitations: (i) they fail to provide adequate coverage when encountering new labels at test time, and (ii) they may become overly conservative when predicting previously seen labels. To obtain valid prediction sets in the presence of unseen labels, we compute and integrate into our predictions a new family of conformal p-values that can test whether a new data point belongs to a previously unseen class. We study these p-values theoretically, establishing their optimality, and uncover an intriguing connection with the classical Good--Turing estimator for the probability of observing a new species. To make more efficient use of imbalanced data, we also develop a selective sample splitting algorithm that partitions training and calibration data based on label frequency, leading to more informative predictions. Despite breaking exchangeability, this allows maintaining finite-sample guarantees through suitable re-weighting. With both simulated and real data, we demonstrate our method leads to prediction sets with valid coverage even in challenging open-set scenarios with infinite numbers of possible labels, and produces more informative predictions under extreme class imbalance.
Mamba Can Learn Low-Dimensional Targets In-Context via Test-Time Feature Learning
Oh, Junsoo, Huang, Wei, Suzuki, Taiji
Mamba, a recently proposed linear-time sequence model, has attracted significant attention for its computational efficiency and strong empirical performance. However, a rigorous theoretical understanding of its underlying mechanisms remains limited. In this work, we provide a theoretical analysis of Mamba's in-context learning (ICL) capability by focusing on tasks defined by low-dimensional nonlinear target functions. Specifically, we study in-context learning of a single-index model $y \approx g_*(\langle \boldsymbolβ, \boldsymbol{x} \rangle)$, which depends on only a single relevant direction $\boldsymbolβ$, referred to as feature. We prove that Mamba, pretrained by gradient-based methods, can achieve efficient ICL via test-time feature learning, extracting the relevant direction directly from context examples. Consequently, we establish a test-time sample complexity that improves upon linear Transformers -- analyzed to behave like kernel methods -- and is comparable to nonlinear Transformers, which have been shown to surpass the Correlational Statistical Query (CSQ) lower bound and achieve near information-theoretically optimal rate in previous works. Our analysis reveals the crucial role of the nonlinear gating mechanism in Mamba for feature extraction, highlighting it as the fundamental driver behind Mamba's ability to achieve both computational efficiency and high performance.