Supervised Learning
The Temporal Graph of Bitcoin Transactions
Since its 2009 genesis block, the Bitcoin network has processed >1.08 billion (B) transactions representing >8.72BBTC, offering rich potential for machine learning (ML); yet, its pseudonymity and obscured flow of funds inherent in its UTxO-based design, have rendered this data largely inaccessible for ML research. Addressing this gap, we present an ML-compatible graph modeling the Bitcoin's economic topology by reconstructing the flow of funds. This temporal, heterogeneous graph encompasses complete transaction history up to block 863000, consisting of >2.4B nodes and >39.72B edges. Additionally, we provide custom sampling methods yielding node and edge feature vectors of sampled communities, tools to load and analyze the Bitcoin graph data within specialized graph databases, and ready-to-use database snapshots. This comprehensive dataset and toolkit empower the ML community to tackle Bitcoin's intricate ecosystem at scale, driving progress in applications such as anomaly detection, address classification, market analysis, and large-scale graph ML benchmarking.
Functional data analysis for multivariate distributions through Wasserstein slicing
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.
update(ϕLˆdown)Ψϕssoftmaxw z Lupθ fθ(z) θLup
We introduce Filter Like You Test (FLYT), an algorithm for curating large-scale vision-language datasets that learns the usefulness of each data point as a pretraining example. FLYT trains a scoring model that learns to weigh each example's features using gradient signals from downstream tasks training sets. Based on FLYT, we implement Mixing-FLYT (M-FLYT), which takes the per-example scores generated by different scoring methods as features, and learns to unify them into a single score. FLYT naturally produces a distribution over the training examples, which we leverage through Soft Cap Sampling (SCS), a strategy for obtaining a filtered pretraining dataset from per-example probabilities that samples examples while preventing over-representation through a repetition penalty. Using these methods, we achieve 40.1% ImageNet zero-shot accuracy on the DataComp medium scale filtering benchmark, a 2% absolute accuracy increase over all previous results and a 5.5% increase over results that--like us--use only public resources. Our approach also yields 37.7% on the average of 38 DataComp evaluation tasks, outperforming previous public-resource approaches by 0.4%.
Thompson Sampling for Multi-Objective Linear Contextual Bandit
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.
Reconstruction and Secrecy under Approximate Distance Queries
Consider the task of locating an unknown target point using approximate distance queries: in each round, a reconstructor selects a reference point and receives a noisy version of its distance to the target. This problem arises naturally in various contexts--ranging from localization in GPS and sensor networks to privacy-aware data access--and spans a wide variety of metric spaces. It is relevant from the perspective of both the reconstructor (seeking accurate recovery) and the responder (aiming to limit information disclosure, e.g., for privacy or security reasons). We study this reconstruction game through a learning-theoretic lens, focusing on the rate and limits of the best possible reconstruction error. Our first result provides a tight geometric characterization of the optimal error in terms of the Chebyshev radius, a classical concept from geometry. This characterization applies to all compact metric spaces (in fact, even to all totally bounded spaces) and yields explicit formulas for natural metric spaces. Our second result addresses the asymptotic behavior of reconstruction, distinguishing between pseudo-finite spaces--where the optimal error is attained after finitely many queries--and spaces where the approximation curve exhibits a nontrivial decay. We characterize pseudo-finiteness for convex Euclidean spaces.
Bandit and Delayed Feedback in Online Structured Prediction
Online structured prediction is a task of sequentially predicting outputs with complex structures based on inputs and past observations, encompassing online classification. Recent studies showed that in the full-information setting, we can achieve finite bounds on the surrogate regret, i.e., the extra target loss relative to the best possible surrogate loss. In practice, however, full-information feedback is often unrealistic as it requires immediate access to the whole structure of complex outputs. Motivated by this, we propose algorithms that work with less demanding feedback, bandit and delayed feedback. For bandit feedback, by using a standard inverseweighted gradient estimator, we achieve a surrogate regret bound of O( KT) for the time horizon T and the size of the output set K. However, K can be extremely large when outputs are highly complex, resulting in an undesirable bound. To address this issue, we propose another algorithm that achieves a surrogate regret bound of O(T2/3), which is independent of K. This is achieved with a carefully designed pseudo-inverse matrix estimator. Furthermore, we numerically compare the performance of these algorithms, as well as existing ones. Regarding delayed feedback, we provide algorithms and regret analyses that cover various scenarios, including full-information and bandit feedback, as well as fixed and variable delays.
Tree-Sliced Entropy Partial Transport
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
Sollberger, Julia, Bull, Joshua, Kališnik, Sara, Stolz, Bernadette
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
Cui, Muqing, Zhou, Yidong, Iao, Su I, Müller, Hans-Georg
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
Barboni, Raphaël, de Hoop, Maarten V., Furuya, Takashi, Peyré, Gabriel
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.