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Functional data analysis for multivariate distributions through Wasserstein slicing

Neural Information Processing Systems

The modeling of samples of distributions is a major challenge since distributions do not form a vector space. While various approaches exist for univariate distributions, including transformations to a Hilbert space, far less is known about the multivariate case. We utilize a transformation approach to map multivariate distributions to a Hilbert space via a Wasserstein slicing method that is invertible. This approach combines functional data analysis tools, such as functional principal component analysis and modes of variation, with the facility to map back to interpretable distributions. We also provide convergence guarantees for the Hilbert space representations under a broad class of such transforms. The method is illustrated using joint systolic and diastolic blood pressure data.


Thompson Sampling for Multi-Objective Linear Contextual Bandit

Neural Information Processing Systems

We study the multi-objective linear contextual bandit problem, where multiple possible conflicting objectives must be optimized simultaneously. We propose MOL-TS, the first Thompson Sampling algorithm with Pareto regret guarantees for this problem. Unlike standard approaches that compute an empirical Pareto front each round, MOL-TS samples parameters across objectives and efficiently selects an arm from a novel effective Pareto front, which accounts for repeated selections over time. Our analysis shows that MOL-TSachieves a worst-case Pareto regret bound of eO(d3/2 T), where dis the dimension of the feature vectors, T is the total number of rounds, matching the best known order for randomized linear bandit algorithms for single objective. Empirical results confirm the benefits of our proposed approach, demonstrating improved regret minimization and strong multi-objective performance.


Tree-Sliced Entropy Partial Transport

Neural Information Processing Systems

Optimal Transport (OT) has emerged as a fundamental tool in machine learning for comparing probability distributions in a geometrically meaningful manner. However, a key limitation of classical OT is its requirement that the source and target distributions have equal total mass, limiting its use in real-world settings involving imbalanced data, noise, outliers, or structural inconsistencies. Partial Transport (PT) addresses this limitation by allowing only a fraction of the mass to be transported, offering greater flexibility and robustness. Nonetheless, similar to OT, PT remains computationally expensive, as it typically involves solving large-scale linear programs-especially in high-dimensional spaces. To alleviate this computational burden, several emerging works have introduced the TreeSliced Wasserstein (TSW) distance, which projects distributions onto tree-metric spaces where OT problems admit closed-form solutions. Building on this line of research, we propose a novel framework that extends the tree-sliced approach to the PT setting, introducing the Partial Tree-Sliced Wasserstein (PartialTSW) distance. Our method is based on the key observation that, within tree-metric space, the PT problem can be equivalently reformulated as a standard balanced OT problem between suitably modified measures. This reformulation enables efficient computation while preserving the adaptability and robustness of partial transport. Our method proves effective across challenging tasks such as outlier removal and addressing class imbalance in image-to-image translation.


Magnitude-Based Features for Multispecies Spatial Data

arXiv.org Machine Learning

Multispecies spatial data arise in many applications where interactions between different entities are central to system behaviour, including biomedical imaging, geospatial analysis, and species ecology. Despite their importance, relatively few quantitative tools exist to capture such interactions. In this work, we propose magnitude-based features for the analysis of multispecies spatial data. Magnitude is a real-valued invariant of finite metric spaces that can be interpreted as an effective number of points, incorporating both spatial configuration and scale. We develop global and local magnitude feature vectors and demonstrate their utility on synthetic tumour microenvironment data, and in tissue microarray data from human colorectal cancer samples. Locally, the method identifies distinct neighbourhood types and reveals spatial heterogeneity; in the model, this includes radial patterns associated with different qualitative outcomes of the simulations, while in the real-world data it reflects the importance of tertiary lymphoid structure-like interactions between B and T cell populations. Globally, the approach recovers known classifications of long-term simulation outcomes across parameter regimes in synthetic data, and suggests important roles for CD4+ T cells and CD163+ macrophages in distinguishing patients with favourable Crohn's like reactions from unfavourable diffuse immune infiltration. Together, these results suggest that magnitude-based features provide a powerful and flexible tool for the analysis of multispecies spatial data.


Deep Single-Index Fréchet Regression

arXiv.org Machine Learning

Predicting outputs that are located in non-Euclidean spaces, such as probability distributions, networks, and symmetric positive-definite matrices, is becoming increasingly important in modern data analysis, particularly when inputs are high-dimensional. We propose DeSI (Deep Single-Index Fréchet Regression), a semiparametric framework for regression with metric space-valued outputs and multivariate inputs that assumes a single-index structure for the conditional Fréchet mean. DeSI estimates an interpretable index direction, which quantifies the relative importance of inputs, using a deep neural network, and performs Fréchet regression along the resulting one-dimensional index in the target metric space. This structure mitigates the curse of dimensionality while retaining interpretability, which stands in contrast to standard deep neural networks. We establish theoretical guarantees for DeSI, including uniform approximation and convergence rates, and demonstrate its strong predictive performance through simulations on distributions, networks, and symmetric positive-definite matrices, as well as an application to compositional mood data from New Jersey.


Training Infinitely Deep and Wide Transformers

arXiv.org Machine Learning

Transformers have become the dominant architecture in modern machine learning, yet the theoretical understanding of their training dynamics remains limited. This paper develops a rigorous mathematical framework for analyzing gradient-based training of transformers in the mean-field regime, where both the depth (number of layers) and width (number of attention heads) tend to infinity. While ResNet training can be understood as controlling a neural ODE, transformer training corresponds to controlling a neural PDE, due to the coupling of multiple token distributions through the attention mechanism. Our mean-field model features two types of measure representations: token distributions evolving through layers and attention parameters at each layer. We establish well-posedness of the forward pass through infinitely deep transformers, characterizing token evolution via flow maps that satisfy ODEs in function spaces. Using adjoint sensitivity analysis, we derive an explicit formula for the conditional Wasserstein gradient of the training risk, involving adjoint variables governed by backward ODEs. We prove the existence and uniqueness of gradient flow curves in the conditional Wasserstein metric space, establishing a rigorous foundation for gradient-based transformer training. A key technical contribution is providing necessary and sufficient conditions for injectivity of the Neural Tangent Kernel (NTK) for attention mechanisms: we show that NTK injectivity is equivalent to linear independence of log-sum-exp functions modulo affine functions, a condition satisfied by diverse token distributions, including discrete distributions, uniform distributions, and Gaussian mixtures. Under this NTK injectivity assumption, we prove that gradient flow converges to global minima when the initial loss is sufficiently small, eliminating spurious local minima from the optimization landscape.


Random-Effects Algorithm for Random Objects in Metric Spaces

arXiv.org Machine Learning

Across many scientific disciplines, multiple observations are collected from the same experimental units, and in modern datasets these observations often arise as non-Euclidean random objects. In such settings, the incorporation of random effects is a critical modeling step for efficient estimation and personalized prediction. Although mixed-effects models are well established for scalar outcomes and, more recently, for functional data in Hilbert spaces, general random-effects frameworks for objects in metric spaces remain underdeveloped. In this paper, we propose a nonlinear Fréchet-based algorithm for random-effects modeling of arbitrary random objects defined on a metric space. Using M-estimation theory, we establish conditions under which the proposed metric-space prediction target is consistently estimated under a working random-effects formulation. We then evaluate the empirical performance of the proposed method using both synthetic data and digital health datasets that require practical tools for analyzing random objects in metric spaces, such as multivariate probability distributions and random graphs. We show that, although our method is developed beyond Hilbert spaces, it can outperform existing Hilbert space-based methods.


Language-based Action Concept Spaces Improve Video Self-Supervised Learning

Neural Information Processing Systems

Recent contrastive language image pre-training has led to learning highly transferable and robust image representations. However, adapting these models to video domain with minimal supervision remains an open problem. We explore a simple step in that direction, using language tied self-supervised learning to adapt an image CLIP model to the video domain. A backbone modified for temporal modeling is trained under self-distillation settings with train objectives operating in an action concept space. Feature vectors of various action concepts extracted from a language encoder using relevant textual prompts construct this space. A large language model aware of actions and their attributes generates the relevant textual prompts. We introduce two train objectives, concept distillation and concept alignment, that retain generality of original representations while enforcing relations between actions and their attributes. Our approach improves zero-shot and linear probing performance on three action recognition benchmarks.


Strategic Classification under Unknown Personalized Manipulation Anonymous Author(s) Affiliation Address email

Neural Information Processing Systems

We study the fundamental mistake bound and sample complexity in the strategic1 classification, where agents can strategically manipulate their feature vector up2 to an extent in order to be predicted as positive. For example, given a classifier3 determining college admission, student candidates may try to take easier classes to4 improve their GPA, retake SAT and change schools in an effort to fool the classifier.5 Ball manipulations are a widely studied class of manipulations in the literature,6 where agents can modify their feature vector within a bounded radius ball. Unlike7 most prior work, our work consider manipulations to be personalized, meaning8 that agents can have different levels of manipulation abilities (e.g., varying radii9 for ball manipulations), and unknown to the learner.10 We formalize the learning problem in an interaction model where the learner11 first deploys a classifier and the agent manipulates the feature vector within their12 manipulation set to game the deployed classifier. We investigate various scenarios13 in terms of the information available to the learner during the interaction, such14 as observing the original feature vector before or after deployment, observing the15 manipulated feature vector, or not seeing either the original or the manipulated16 feature vector. We begin by providing online mistake bounds and PAC sample17 complexity in these scenarios for ball manipulations. We also explore non-ball18 manipulations and show that, even in the simplest scenario where both the original19 and the manipulated feature vectors are revealed, the mistake bounds and sample20 complexity are lower bounded by Ω(|H|) when the target function belongs to a21 known class H.22


First-Order Algorithms for Min-Max Optimization in Geodesic Metric Spaces

Neural Information Processing Systems

From optimal transport to robust dimensionality reduction, a plethora of machine learning applications can be cast into the min-max optimization problems over Riemannian manifolds. Though many min-max algorithms have been analyzed in the Euclidean setting, it has proved elusive to translate these results to the Riemannian case. Zhang et al. have recently shown that geodesic convex concave Riemannian problems always admit saddle-point solutions. Inspired by this result, we study whether a performance gap between Riemannian and optimal Euclidean space convex-concave algorithms is necessary. We answer this question in the negative--we prove that the Riemannian corrected extragradient (RCEG) method achieves last-iterate convergence at a linear rate in the geodesically stronglyconvex-concave case, matching the Euclidean result. Our results also extend to the stochastic or non-smooth case where RCEG and Riemanian gradient ascent descent (RGDA) achieve near-optimal convergence rates up to factors depending on curvature of the manifold.