Diffusion models [1, 2, 3] have emerged as a powerful class of generative models, achieving state-of-the-art performance across a wide range of applications, including imaging [2] and scientific-data synthesis [4]. From a statistical perspective, they can be viewed as flexible nonparametric estimators of a (conditional) distribution via score estimation and reverse-time stochastic differential equations (SDEs) [5, 6]. Despite this expressive power, standard diffusion models are typically causality-agnostic: they learn a joint law without encoding the directional asymmetries required for causal interpretation. As a consequence, they do not, on their own, provide principled answers to interventional queries or support broader causal analyses, which are central to structural causal models (SCMs) [7]. When a causal ordering (or a directed acyclic graph) is available, it is natural to construct generative procedures that sample variables sequentially according to the causal factorisation. Such iterative, ordering-respecting approaches have been proposed using a variety of generative models, including generative adversarial networks [8], variational autoencoders [9], normalising flows [10], and diffusion-based constructions such as DDIM [11]. However, a rigorous statistical understandingof the advantages of exploitingsuch causalstructureand the inferential use of the resulting generator remain less developed.

Estimating the number of components is a fundamental challenge in unsupervised learning, particularly when dealing with high-dimensional data with many components or severely imbalanced component sizes. This paper addresses this challenge for classical Gaussian mixture models. The proposed estimator is simple: center the data, compute the singular values of the centered matrix, and count those above a threshold. No iterative fitting, no likelihood calculation, and no prior knowledge of the number of components are required. We prove that, under a mild separation condition on the component centers, the estimator consistently recovers the true number of components. The result holds in high-dimensional settings where the dimension can be much larger than the sample size. It also holds when the number of components grows to the smaller of the dimension and the sample size, even under severe imbalance among component sizes. Computationally, the method is extremely fast: for example, it processes ten million samples in one hundred dimensions within one minute. Extensive experimental studies confirm its accuracy in challenging settings such as high dimensionality, many components, and severe class imbalance.

Training modern neural networks often relies on large learning rates, operating at the edge of stability, where the optimization dynamics exhibit oscillatory and chaotic behavior. Empirically, this regime often yields improved generalization performance, yet the underlying mechanism remains poorly understood. In this work, we represent stochastic optimizers as random dynamical systems, which often converge to a fractal attractor set (rather than a point) with a smaller intrinsic dimension. Building on this connection and inspired by Lyapunov dimension theory, we introduce a novel notion of dimension, coined the `sharpness dimension', and prove a generalization bound based on this dimension. Our results show that generalization in the chaotic regime depends on the complete Hessian spectrum and the structure of its partial determinants, highlighting a complexity that cannot be captured by the trace or spectral norm considered in prior work. Experiments across various MLPs and transformers validate our theory while also providing new insights into the recently observed phenomenon of grokking.

Deep learning (DL) has become a cornerstone of modern machine learning (ML) praxis. We introduce the R package mlr3torch, which is an extensible DL framework for the mlr3 ecosystem. It is built upon the torch package, and simplifies the definition, training, and evaluation of neural networks for both tabular data and generic tensors (e.g., images) for classification and regression. The package implements predefined architectures, and torch models can easily be converted to mlr3 learners. It also allows users to define neural networks as graphs. This representation is based on the graph language defined in mlr3pipelines and allows users to define the entire modeling workflow, including preprocessing, data augmentation, and network architecture, in a single graph. Through its integration into the mlr3 ecosystem, the package allows for convenient resampling, benchmarking, preprocessing, and more. We explain the package's design and features and show how to customize and extend it to new problems. Furthermore, we demonstrate the package's capabilities using three use cases, namely hyperparameter tuning, fine-tuning, and defining architectures for multimodal data. Finally, we present some runtime benchmarks.

We study the polynomial coefficients of lightning self-attention as coordinates of an algebraic variety. We identify linear and nonlinear families of algebraic invariants, including Chow-type, low-rank, Veronese-type, and Sylvester resultant-based constraints.

Smooth functions on graphs have wide applications in manifold and semi-supervised learning. In this paper, we study a bandit problem where the payoffs of arms are smooth on a graph. This framework is suitable for solving online learning problems that involve graphs, such as content-based recommendation. In this problem, each item we can recommend is a node and its expected rating is similar to its neighbors. The goal is to recommend items that have high expected ratings. We aim for the algorithms where the cumulative regret with respect to the optimal policy would not scale poorly with the number of nodes. In particular, we introduce the notion of an effective dimension, which is small in real-world graphs, and propose two algorithms for solving our problem that scale linearly and sublinearly in this dimension. Our experiments on real-world content recommendation problem show that a good estimator of user preferences for thousands of items can be learned from just tens of nodes evaluations.

We derive explicit non-asymptotic PAC-Bayes generalization bounds for Gibbs posteriors, that is, data-dependent distributions over model parameters obtained by exponentially tilting a prior with the empirical risk. Unlike classical worst-case complexity bounds based on uniform laws of large numbers, which require explicit control of the model space in terms of metric entropy (integrals), our analysis yields posterior-averaged risk bounds that can be applied to overparameterized models and adapt to the data structure and the intrinsic model complexity. The bound involves a marginal-type integral over the parameter space, which we analyze using tools from singular learning theory to obtain explicit and practically meaningful characterizations of the posterior risk. Applications to low-rank matrix completion and ReLU neural network regression and classification show that the resulting bounds are analytically tractable and substantially tighter than classical complexity-based bounds. Our results highlight the potential of PAC-Bayes analysis for precise finite-sample generalization guarantees in modern overparameterized and singular models.

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,

We study post-training interpretability for Support Vector Machines (SVMs) built from truncated orthogonal polynomial kernels. Since the associated reproducing kernel Hilbert space is finite-dimensional and admits an explicit tensor-product orthonormal basis, the fitted decision function can be expanded exactly in intrinsic RKHS coordinates. This leads to Orthogonal Representation Contribution Analysis (ORCA), a diagnostic framework based on normalized Orthogonal Kernel Contribution (OKC) indices. These indices quantify how the squared RKHS norm of the classifier is distributed across interaction orders, total polynomial degrees, marginal coordinate effects, and pairwise contributions. The methodology is fully post-training and requires neither surrogate models nor retraining. We illustrate its diagnostic value on a synthetic double-spiral problem and on a real five-dimensional echocardiogram dataset. The results show that the proposed indices reveal structural aspects of model complexity that are not captured by predictive accuracy alone.

t-SNE has gained popularity as a dimension reduction technique, especially for visualizing data. It is well-known that all dimension reduction techniques may lose important features of the data. We provide a mathematical framework for understanding this loss for t-SNE by establishing a number of results in different scenarios showing how important features of data are lost by using t-SNE.