Representation Of Examples
Metric Space Magnitude for Evaluating the Diversity of Latent Representations
The magnitude of a metric space is a novelinvariant that provides a measure of the'effective size' of a space acrossmultiple scales, while also capturing numerous geometrical properties, such as curvature, density, or entropy.We develop a family of magnitude-based measures of the intrinsicdiversity of latent representations, formalising a novel notion ofdissimilarity between magnitude functions of finite metric spaces.Our measures are provably stable under perturbations of the data, can beefficiently calculated, and enable a rigorous multi-scale characterisation and comparison oflatent representations. We show their utility and superior performance across different domains and tasks, includingthe automated estimation of diversity,the detection of mode collapse, andthe evaluation of generative models for text, image, and graph data.
Improved Guarantees for Fully Dynamic k -Center Clustering with Outliers in General Metric Spaces
The metric k -center clustering problem with z outliers, also known as (k,z) -center clustering, involves clustering a given point set P in a metric space (M,d) using at most k balls, minimizing the maximum ball radius while excluding up to z points from the clustering. This problem holds fundamental significance in various domains such as machine learning, data mining, and database systems.This paper addresses the fully dynamic version of the problem, where the point set undergoes continuous updates (insertions and deletions) over time. The objective is to maintain an approximate (k,z) -center clustering with efficient update times. We propose a novel fully dynamic algorithm that maintains a (4 \epsilon) -approximate solution to the (k,z) -center clustering problem that covers all but at most (1 \epsilon)z points at any time in the sequence with probability 1-k/e {\Omega(\log k)} . The algorithm achieves an expected amortized update time of \mathcal{O}(\epsilon {-2} k 6\log(k) \log(\Delta)), and is applicable to general metric spaces.
First-Order Algorithms for Min-Max Optimization in Geodesic Metric Spaces
From optimal transport to robust dimensionality reduction, many machine learning applicationscan be cast into the min-max optimization problems over Riemannian manifolds. Though manymin-max algorithms have been analyzed in the Euclidean setting, it has been elusive how theseresults translate to the Riemannian case. Zhang et al. (2022) have recently identified that geodesic convexconcave Riemannian problems admit always Sion's saddle point solutions. Immediately, an importantquestion that arises is if a performance gap between the Riemannian and the optimal Euclidean spaceconvex concave algorithms is necessary. Our work is the first to answer the question in the negative:We prove that the Riemannian corrected extragradient (RCEG) method achieves last-iterate at alinear convergence rate at the geodesically strongly convex concave case, matching the euclidean one.Our results also extend to the stochastic or non-smooth case where RCEG & Riemanian gradientascent descent (RGDA) achieve respectively near-optimal convergence rates up to factors dependingon curvature of the manifold.
RGMDT: Return-Gap-Minimizing Decision Tree Extraction in Non-Euclidean Metric Space
Deep Reinforcement Learning (DRL) algorithms have achieved great success in solving many challenging tasks while their black-box nature hinders interpretability and real-world applicability, making it difficult for human experts to interpret and understand DRL policies. Existing works on interpretable reinforcement learning have shown promise in extracting decision tree (DT) based policies from DRL policies with most focus on the single-agent settings while prior attempts to introduce DT policies in multi-agent scenarios mainly focus on heuristic designs which do not provide any quantitative guarantees on the expected return.In this paper, we establish an upper bound on the return gap between the oracle expert policy and an optimal decision tree policy. This enables us to recast the DT extraction problem into a novel non-euclidean clustering problem over the local observation and action values space of each agent, with action values as cluster labels and the upper bound on the return gap as clustering loss.Both the algorithm and the upper bound are extended to multi-agent decentralized DT extractions by an iteratively-grow-DT procedure guided by an action-value function conditioned on the current DTs of other agents. Further, we propose the Return-Gap-Minimization Decision Tree (RGMDT) algorithm, which is a surprisingly simple design and is integrated with reinforcement learning through the utilization of a novel Regularized Information Maximization loss. Evaluations on tasks like D4RL show that RGMDT significantly outperforms heuristic DT-based baselines and can achieve nearly optimal returns under given DT complexity constraints (e.g., maximum number of DT nodes).
Metric Graph Kernels via the Tropical Torelli Map
We propose new graph kernels grounded in the study of metric graphs via tropical algebraic geometry. In contrast to conventional graph kernels that are based on graph combinatorics such as nodes, edges, and subgraphs, our graph kernels are purely based on the geometry and topology of the underlying metric space. A key characterizing property of our construction is its invariance under edge subdivision, making the kernels intrinsically well-suited for comparing graphs that represent different underlying spaces. We develop efficient algorithms for computing these kernels and analyze their complexity, showing that it depends primarily on the genus of the input graphs. Empirically, our kernels outperform existing methods in label-free settings, as demonstrated on both synthetic and real-world benchmark datasets. We further highlight their practical utility through an urban road network classification task.
Polysemy of Synthetic Neurons Towards a New Type of Explanatory Categorical Vector Spaces
Pichat, Michael, Pogrund, William, Pichat, Paloma, Poumay, Judicael, Gasparian, Armanouche, Demarchi, Samuel, Corbet, Martin, Georgeon, Alois, Veillet-Guillem, Michael
The polysemantic nature of synthetic neurons in artificial intelligence language models is currently understood as the result of a necessary superposition of distributed features within the latent space. We propose an alternative approach, geometrically defining a neuron in layer n as a categorical vector space with a non-orthogonal basis, composed of categorical sub-dimensions extracted from preceding neurons in layer n-1. This categorical vector space is structured by the activation space of each neuron and enables, via an intra-neuronal attention process, the identification and utilization of a critical categorical zone for the efficiency of the language model - more homogeneous and located at the intersection of these different categorical sub-dimensions.
From Two Sample Testing to Singular Gaussian Discrimination
Santoro, Leonardo V., Waghmare, Kartik G., Panaretos, Victor M.
We establish that testing for the equality of two probability measures on a general separable and compact metric space is equivalent to testing for the singularity between two corresponding Gaussian measures on a suitable Reproducing Kernel Hilbert Space. The corresponding Gaussians are defined via the notion of kernel mean and covariance embedding of a probability measure. Discerning two singular Gaussians is fundamentally simpler from an information-theoretic perspective than non-parametric two-sample testing, particularly in high-dimensional settings. Our proof leverages the Feldman-Hajek criterion for singularity/equivalence of Gaussians on Hilbert spaces, and shows that discrepancies between distributions are heavily magnified through their corresponding Gaussian embeddings: at a population level, distinct probability measures lead to essentially separated Gaussian embeddings. This appears to be a new instance of the blessing of dimensionality that can be harnessed for the design of efficient inference tools in great generality.
Self-Balancing, Memory Efficient, Dynamic Metric Space Data Maintenance, for Rapid Multi-Kernel Estimation
Ellendula, Aditya S, Bajaj, Chandrajit
We present a dynamic self-balancing octree data structure that enables efficient neighborhood maintenance in evolving metric spaces, a key challenge in modern machine learning systems. Many learning and generative models operate as dynamical systems whose representations evolve during training, requiring fast, adaptive spatial organization. Our two-parameter octree supports logarithmic-time updates and queries, eliminating the need for costly full rebuilds as data distributions shift. We demonstrate its effectiveness in four areas: (1) accelerating Stein variational gradient descent by supporting more particles with lower overhead; (2) enabling real-time, incremental KNN classification with logarithmic complexity; (3) facilitating efficient, dynamic indexing and retrieval for retrieval-augmented generation; and (4) improving sample efficiency by jointly optimizing input and latent spaces. Across all applications, our approach yields exponential speedups while preserving accuracy, particularly in high-dimensional spaces where maintaining adaptive spatial structure is critical.
Robust Estimation in metric spaces: Achieving Exponential Concentration with a Fr\'echet Median
Kim, Jakwang, Park, Jiyoung, Bhattacharya, Anirban
There is growing interest in developing statistical estimators that achieve exponential concentration around a population target even when the data distribution has heavier than exponential tails. More recent activity has focused on extending such ideas beyond Euclidean spaces to Hilbert spaces and Riemannian manifolds. In this work, we show that such exponential concentration in presence of heavy tails can be achieved over a broader class of parameter spaces called CAT($\kappa$) spaces, a very general metric space equipped with the minimal essential geometric structure for our purpose, while being sufficiently broad to encompass most typical examples encountered in statistics and machine learning. The key technique is to develop and exploit a general concentration bound for the Fr\'echet median in CAT($\kappa$) spaces. We illustrate our theory through a number of examples, and provide empirical support through simulation studies.
Bregman-Hausdorff divergence: strengthening the connections between computational geometry and machine learning
Pham, Tuyen, Kouřimská, Hana Dal Poz, Wagner, Hubert
The purpose of this paper is twofold. On a technical side, we propose an extension of the Hausdorff distance from metric spaces to spaces equipped with asymmetric distance measures. Specifically, we focus on the family of Bregman divergences, which includes the popular Kullback--Leibler divergence (also known as relative entropy). As a proof of concept, we use the resulting Bregman--Hausdorff divergence to compare two collections of probabilistic predictions produced by different machine learning models trained using the relative entropy loss. The algorithms we propose are surprisingly efficient even for large inputs with hundreds of dimensions. In addition to the introduction of this technical concept, we provide a survey. It outlines the basics of Bregman geometry, as well as computational geometry algorithms. We focus on algorithms that are compatible with this geometry and are relevant for machine learning.