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data science

2,832 papers

#data science Preprint Aug 2026

Characterizing Bias in Post-Bandit Inference under Index Algorithms

Bandit algorithms generate data for downstream inference, but adaptive sampling biases post-bandit sample means. We analyze this bias for stable index algorithms, including UCB1 and its generalizations, and derive sharp leading-order expressions for the sample-mean bias and expected $Z$-statistic. Our characterization...

Lisu Wang, Yilun Chen, Jiaqi Lu · 0 citations
#machine learning Preprint Open access Sep 2026

Sequential operator learning under dependent data

Learning operators from sequentially collected data arises in adaptive experimental design, Bayesian optimization, and dynamical-system modelling, where observations may be dependent, and future inputs or sensing operators may depend on preceding data. We derive time-uniform self-normalized concentration bounds for sto...

Rafael Oliveira · 0 citations

An Additive MLP-GNN Framework for Characterizing Chemical and Structural Contributions to Aqueous Solubility

An additive deep-learning framework that keeps physicochemical descriptors and molecular graph information separate throughout training attains competitive predictive performance while making the distinct roles of chemical and structural information more transparent.

S. Bhattacharya, Arkaprava Roy · 0 citations
#machine learning Preprint Open access Sep 2026

Expressivity of Contradiction Graphs

We study the contradiction graphs associated with a binary concept class. For a class $H\subseteq\{0,1\}^X$, the order-$m$ contradiction graph $G_m(H)$ has as vertices the $H$-realizable labeled sequences of length $m$, with two vertices adjacent when the two sequences assign opposite labels to some common domain point...

Jesse Campbell, Daniel Ibaibarriaga, Lev Reyzin · 0 citations
#machine learning Preprint Open access Sep 2026

Geometric Dictionary Learning of Dynamical Systems with Optimal Transport

Learning dynamical systems through operator-theoretic representations provides a powerful framework for analyzing complex dynamics, as spectral quantities such as eigenvalues and invariant structures encode characteristic time scales and long-term behavior. However, dynamical operators are typically estimated independe...

Thibaut Germain, Sami Chemlal, R\'emi Flamary et al. · 0 citations

Conformalized Super Learner

This work proposes coupling CP with the SL through a natural construction that mirrors the original SL framework, using individual learner weights and combining learner-specific conformity scores via a weighted majority vote, and characterize the properties of the resulting SL-based prediction intervals for continuous...

Zhan Wu, Fabrizio Leisen, M. Luque-fernandez et al. · 1 citation
#machine learning Preprint Open access Sep 2026

The Rules-and-Facts Model for Simultaneous Generalization and Memorization in Neural Networks

A key capability of modern neural networks is their capacity to simultaneously learn underlying rules and memorize specific facts or exceptions. Yet, theoretical understanding of this dual capability remains limited. We introduce the Rules-and-Facts (RAF) model, a minimal solvable setting that enables precise character...

Gabriele Farn\'e, Fabrizio Boncoraglio, Lenka Zdeborov\'a · 0 citations

MGD: Moment Guided Diffusion for Maximum Entropy Generation

Generating samples from limited information is a fundamental problem across scientific domains. Classical maximum entropy methods provide principled uncertainty quantification from moment constraints but require sampling via MCMC or Langevin dynamics, which typically exhibit exponential slowdown in high dimensions. In...

Etienne Lempereur, Nathanaël Cuvelle-Magar, Florentin Coeurdoux et al. · 1 citation
#machine learning Preprint Dec 2025

Residual-augmented flow matching operators for probabilistic partial differential equations

A residual-augmented probabilistic operator learning framework that casts flow-matching-based generative modeling in infinite-dimensional function spaces while leveraging inexpensive low-fidelity solution operators as an inductive bias and enables accurate characterization of uncertainty in low-data regimes.

Sahil Bhola, Karthik Duraisamy · 3 citations

Generalized infinite dimensional Alpha-Procrustes based geometries

This work extends the recently introduced Alpha-Procrustes family of Riemannian metrics for symmetric positive definite (SPD) matrices by incorporating generalized versions of the Bures-Wasserstein (GBW), Log-Euclidean, and Wasserstein distances. While the Alpha-Procrustes framework has unified many classical metrics i...

Salvish Goomanee, Andi Han, P. Jawanpuria et al. · 0 citations

Learning Multi-Index Models with Hyper-Kernel Ridge Regression

This work introduces and studies hyper-kernel ridge regression (HKRR), an approach blending neural networks and kernel methods, and exploits the kernel nature of the estimator to develop ad hoc optimization approaches.

Shuo Huang, Hippolyte Labarrière, E. De Vito et al. · 2 citations

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