Statistical Learning
Hierarchical Clustering With Confidence
Wu, Di, Bien, Jacob, Panigrahi, Snigdha
Agglomerative hierarchical clustering is one of the most widely used approaches for exploring how observations in a dataset relate to each other. However, its greedy nature makes it highly sensitive to small perturbations in the data, often producing different clustering results and making it difficult to separate genuine structure from spurious patterns. In this paper, we show how randomizing hierarchical clustering can be useful not just for measuring stability but also for designing valid hypothesis testing procedures based on the clustering results. We propose a simple randomization scheme together with a method for constructing a valid p-value at each node of the hierarchical clustering dendrogram that quantifies evidence against performing the greedy merge. Our test controls the Type I error rate, works with any hierarchical linkage without case-specific derivations, and simulations show it is substantially more powerful than existing selective inference approaches. To demonstrate the practical utility of our p-values, we develop an adaptive $α$-spending procedure that estimates the number of clusters, with a probabilistic guarantee on overestimation. Experiments on simulated and real data show that this estimate yields powerful clustering and can be used, for example, to assess clustering stability across multiple runs of the randomized algorithm.
Simultaneous Heterogeneity and Reduced-rank Learning for Multivariate Response Regression
Wu, Jie, Zhang, Bo, Li, Daoji, Zheng, Zemin
Heterogeneous data are now ubiquitous in many applications in which correctly identifying the subgroups from a heterogeneous population is critical. Although there is an increasing body of literature on subgroup detection, existing methods mainly focus on the univariate response setting. In this paper, we propose a joint heterogeneity and reduced-rank learning framework to simultaneously identify the subgroup structure and estimate the covariate effects for heterogeneous multivariate response regression. In particular, our approach uses rank-constrained pairwise fusion penalization and conducts the subgroup analysis without requiring prior knowledge regarding the individual subgroup memberships. We implement the proposed approach by an alternating direction method of multipliers (ADMM) algorithm and show its convergence. We also establish the asymptotic properties for the resulting estimators under mild and interpretable conditions. A predictive information criterion is proposed to select the rank of the coefficient matrix with theoretical support. The effectiveness of the proposed approach is demonstrated through simulation studies and a real data application.
Canonical Tail Dependence for Soft Extremal Clustering of Multichannel Brain Signals
Talento, Mara Sherlin, Richards, Jordan, Huser, Raphael, Ombao, Hernando
We develop a novel characterization of extremal dependence between two cortical regions of the brain when its signals display extremely large amplitudes. We show that connectivity in the tails of the distribution reveals unique features of extreme events (e.g., seizures) that can help to identify their occurrence. Numerous studies have established that connectivity-based features are effective for discriminating brain states. Here, we demonstrate the advantage of the proposed approach: that tail connectivity provides additional discriminatory power, enabling more accurate identification of extreme-related events and improved seizure risk management. Common approaches in tail dependence modeling use pairwise summary measures or parametric models. However, these approaches do not identify channels that drive the maximal tail dependence between two groups of signals -- an information that is useful when analyzing electroencephalography of epileptic patients where specific channels are responsible for seizure occurrences. A familiar approach in traditional signal processing is canonical correlation, which we extend to the tails to develop a visualization of extremal channel-contributions. Through the tail pairwise dependence matrix (TPDM), we develop a computationally-efficient estimator for our canonical tail dependence measure. Our method is then used for accurate frequency-based soft clustering of neonates, distinguishing those with seizures from those without.
Zero Generalization Error Theorem for Random Interpolators via Algebraic Geometry
Yoshida, Naoki, Ishikawa, Isao, Imaizumi, Masaaki
We theoretically demonstrate that the generalization error of interpolators for machine learning models under teacher-student settings becomes 0 once the number of training samples exceeds a certain threshold. Understanding the high generalization ability of large-scale models such as deep neural networks (DNNs) remains one of the central open problems in machine learning theory. While recent theoretical studies have attributed this phenomenon to the implicit bias of stochastic gradient descent (SGD) toward well-generalizing solutions, empirical evidences indicate that it primarily stems from properties of the model itself. Specifically, even randomly sampled interpolators, which are parameters that achieve zero training error, have been observed to generalize effectively. In this study, under a teacher-student framework, we prove that the generalization error of randomly sampled interpolators becomes exactly zero once the number of training samples exceeds a threshold determined by the geometric structure of the interpolator set in parameter space. As a proof technique, we leverage tools from algebraic geometry to mathematically characterize this geometric structure.
Contextual Strongly Convex Simulation Optimization: Optimize then Predict with Inexact Solutions
Lin, Nifei, Luo, Heng, Hong, L. Jeff
In this work, we study contextual strongly convex simulation optimization and adopt an "optimize then predict" (OTP) approach for real-time decision making. In the offline stage, simulation optimization is conducted across a set of covariates to approximate the optimal-solution function; in the online stage, decisions are obtained by evaluating this approximation at the observed covariate. The central theoretical challenge is to understand how the inexactness of solutions generated by simulation-optimization algorithms affects the optimality gap, which is overlooked in existing studies. To address this, we develop a unified analysis framework that explicitly accounts for both solution bias and variance. Using Polyak-Ruppert averaging SGD as an illustrative simulation-optimization algorithm, we analyze the optimality gap of OTP under four representative smoothing techniques: $k$ nearest neighbor, kernel smoothing, linear regression, and kernel ridge regression. We establish convergence rates, derive the optimal allocation of the computational budget $Γ$ between the number of design covariates and the per-covariate simulation effort, and demonstrate the convergence rate can approximately achieve $Γ^{-1}$ under appropriate smoothing technique and sample-allocation rule. Finally, through a numerical study, we validate the theoretical findings and demonstrate the effectiveness and practical value of the proposed approach.
From Tail Universality to Bernstein-von Mises: A Unified Statistical Theory of Semi-Implicit Variational Inference
Semi-implicit variational inference (SIVI) constructs approximate posteriors of the form $q(θ) = \int k(θ| z) r(dz)$, where the conditional kernel is parameterized and the mixing base is fixed and tractable. This paper develops a unified "approximation-optimization-statistics'' theory for such families. On the approximation side, we show that under compact L1-universality and a mild tail-dominance condition, semi-implicit families are dense in L1 and can achieve arbitrarily small forward Kullback-Leibler (KL) error. We also identify two sharp obstructions to global approximation: (i) an Orlicz tail-mismatch condition that induces a strictly positive forward-KL gap, and (ii) structural restrictions, such as non-autoregressive Gaussian kernels, that force "branch collapse'' in conditional distributions. For each obstruction we give a minimal structural modification that restores approximability. On the optimization side, we establish finite-sample oracle inequalities and prove that the empirical SIVI objectives L(K,n) $Γ$-converge to their population limit as n and K tend to infinity. These results give consistency of empirical maximizers, quantitative control of finite-K surrogate bias, and stability of the resulting variational posteriors. Combining the approximation and optimization analyses yields the first general end-to-end statistical theory for SIVI: we characterize precisely when SIVI can recover the target distribution, when it cannot, and how architectural and algorithmic choices govern the attainable asymptotic behavior.
SSLfmm: An R Package for Semi-Supervised Learning with a Mixed-Missingness Mechanism in Finite Mixture Models
McLachlan, Geoffrey J., Wu, Jinran
Semi-supervised learning (SSL) constructs classifiers from datasets in which only a subset of observations is labelled, a situation that naturally arises because obtaining labels often requires expert judgement or costly manual effort. This motivates methods that integrate labelled and unlabelled data within a learning framework. Most SSL approaches assume that label absence is harmless, typically treated as missing completely at random or ignored, but in practice, the missingness process can be informative, as the chances of an observation being unlabelled may depend on the ambiguity of its feature vector. In such cases, the missingness indicators themselves provide additional information that, if properly modelled, may improve estimation efficiency. The \textbf{SSLfmm} package for R is designed to capture this behaviour by estimating the Bayes' classifier under a finite mixture model in which each component corresponding to a class follows a multivariate normal distribution. It incorporates a mixed-missingness mechanism that combines a missing completely at random (MCAR) component with a (non-ignorable) missing at random (MAR) component, the latter modelling the probability of label missingness as a logistic function of the entropy based on the features. Parameters are estimated via an Expectation--Conditional Maximisation algorithm. In the two-class Gaussian setting with arbitrary covariance matrices, the resulting classifier trained on partially labelled data may, in some cases, achieve a lower misclassification rate than the supervised version in the case where all the labels are known. The package includes a practical tool for modelling and illustrates its performance through simulated examples.
An Adaptive Resonance Theory-based Topological Clustering Algorithm with a Self-Adjusting Vigilance Parameter
Masuyama, Naoki, Toda, Yuichiro, Nojima, Yusuke, Ishibuchi, Hisao
Clustering in stationary and nonstationary settings, where data distributions remain static or evolve over time, requires models that can adapt to distributional shifts while preserving previously learned cluster structures. This paper proposes an Adaptive Resonance Theory (ART)-based topological clustering algorithm that autonomously adjusts its recalculation interval and vigilance threshold through a diversity-driven adaptation mechanism. This mechanism enables hyperparameter-free learning that maintains cluster stability and continuity in dynamic environments. Experiments on 24 real-world datasets demonstrate that the proposed algorithm outperforms state-of-the-art methods in both clustering performance and continual learning capability. These results highlight the effectiveness of the proposed parameter adaptation in mitigating catastrophic forgetting and maintaining consistent clustering in evolving data streams. Source code is available at https://github.com/Masuyama-lab/IDAT
Automated Generation of Custom MedDRA Queries Using SafeTerm Medical Map
Vandenhende, Francois, Georgiou, Anna, Georgiou, Michalis, Psaras, Theodoros, Karekla, Ellie, Hadjicosta, Elena
In pre-market drug safety review, grouping related adverse event terms into standardised MedDRA queries or the FDA Office of New Drugs Custom Medical Queries (OCMQs) is critical for signal detection. We present a novel quantitative artificial intelligence system that understands and processes medical terminology and automatically retrieves relevant MedDRA Preferred Terms (PTs) for a given input query, ranking them by a relevance score using multi-criteria statistical methods. The system (SafeTerm) embeds medical query terms and MedDRA PTs in a multidimensional vector space, then applies cosine similarity and extreme-value clustering to generate a ranked list of PTs. Validation was conducted against the FDA OCMQ v3.0 (104 queries), restricted to valid MedDRA PTs. Precision, recall and F1 were computed across similarity-thresholds. High recall (>95%) is achieved at moderate thresholds. Higher thresholds improve precision (up to 86%). The optimal threshold (~0.70 - 0.75) yielded recall ~50% and precision ~33%. Narrow-term PT subsets performed similarly but required slightly higher similarity thresholds. The SafeTerm AI-driven system provides a viable supplementary method for automated MedDRA query generation. A similarity threshold of ~0.60 is recommended initially, with increased thresholds for refined term selection.
Multi-Domain Motion Embedding: Expressive Real-Time Mimicry for Legged Robots
Heyrman, Matthias, Li, Chenhao, Klemm, Victor, Kang, Dongho, Coros, Stelian, Hutter, Marco
Effective motion representation is crucial for enabling robots to imitate expressive behaviors in real time, yet existing motion controllers often ignore inherent patterns in motion. Previous efforts in representation learning do not attempt to jointly capture structured periodic patterns and irregular variations in human and animal movement. To address this, we present Multi-Domain Motion Embedding (MDME), a motion representation that unifies the embedding of structured and unstructured features using a wavelet-based encoder and a probabilistic embedding in parallel. This produces a rich representation of reference motions from a minimal input set, enabling improved generalization across diverse motion styles and morphologies. We evaluate MDME on retargeting-free real-time motion imitation by conditioning robot control policies on the learned embeddings, demonstrating accurate reproduction of complex trajectories on both humanoid and quadruped platforms. Our comparative studies confirm that MDME outperforms prior approaches in reconstruction fidelity and generalizability to unseen motions. Furthermore, we demonstrate that MDME can reproduce novel motion styles in real-time through zero-shot deployment, eliminating the need for task-specific tuning or online retargeting. These results position MDME as a generalizable and structure-aware foundation for scalable real-time robot imitation.