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arXiv:2603.02460v4 Announce Type: replace Abstract: Supervised graph prediction addresses regression problems where the outputs are structured graphs. Although several approaches exist for graph-valued prediction, principled uncertainty quantification remains limited. We propose a conformal prediction framework for graph-valued outputs, providing distribution-free coverage guarantees in structured output spaces. Our method defines nonconformity via the Z-Gromov-Wasserstein distance, instantiated in practice through Fused Gromov-Wasserstein (FGW), enabling permutation invariant comparison between predicted and candidate graphs. To obtain adaptive prediction sets, we introduce Score […]

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arXiv:2512.17374v3 Announce Type: replace Abstract: Given a probability distribution $mu$ in $mathbb{R}^d$ represented by data, we study in this paper the generative modeling of the corresponding conditional probability distributions on the level-sets of a collective variable $xi:mathbb{R}^d rightarrow mathbb{R}^k$, where $1 le k

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arXiv:2510.27643v2 Announce Type: replace Abstract: This paper studies optimization on networks modeled as metric graphs. Motivated by applications where the objective function is expensive to evaluate or only available as a black box, we develop Bayesian optimization algorithms that sequentially update a Gaussian process surrogate model of the objective to guide the acquisition of query points. To ensure that the surrogates are tailored to the network’s geometry, we adopt Whittle-Mat’ern Gaussian process prior models defined via stochastic partial […]

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arXiv:2507.05064v3 Announce Type: replace Abstract: Gaussian processes are flexible, probabilistic, non-parametric models widely used in machine learning and statistics. However, their scalability to large data sets is limited by computational constraints. To overcome these challenges, we propose Vecchia-inducing-points full-scale (VIF) approximations combining the strengths of global inducing points and local Vecchia approximations. Vecchia approximations excel in settings with low-dimensional inputs and moderately smooth covariance functions, while inducing point methods are better suited to high-dimensional inputs and smoother covariance […]

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arXiv:2505.11006v5 Announce Type: replace Abstract: We demonstrate how supervised learning can be decomposed into a two-stage procedure, where (1) all model parameters are selected in an unsupervised manner, and (2) the outputs y are added to the model, without changing the parameter values. This is achieved by a new model selection criterion that – in contrast to cross-validation – can be used also without access to y. For linear ridge regression, we bound the asymptotic out-of-sample risk of […]

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arXiv:2603.26611v1 Announce Type: cross Abstract: Conditional density estimation (CDE) – recovering the full conditional distribution of a response given tabular covariates – is essential in settings with heteroscedasticity, multimodality, or asymmetric uncertainty. Recent tabular foundation models, such as TabPFN and TabICL, naturally produce predictive distributions, but their effectiveness as general-purpose CDE methods has not been systematically evaluated, unlike their performance for point prediction, which is well studied. We benchmark three tabular foundation model variants against a diverse set […]

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arXiv:2603.26554v1 Announce Type: cross Abstract: Spectral optimizers such as Muon have recently shown strong empirical performance in large-scale language model training, but the source and extent of their advantage remain poorly understood. We study this question through the linear associative memory problem, a tractable model for factual recall in transformer-based models. In particular, we go beyond orthogonal embeddings and consider Gaussian inputs and outputs, which allows the number of stored associations to greatly exceed the embedding dimension. Our […]

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arXiv:2603.26502v1 Announce Type: cross Abstract: In recent years, there has been growing interest in causal machine learning estimators for quantifying subject-specific effects of a binary treatment on time-to-event outcomes. Estimation approaches have been proposed which attenuate the inherent regularisation bias in machine learning predictions, with each of these estimators addressing measured confounding, right censoring, and in some cases, left truncation. However, the existing approaches are found to exhibit suboptimal finite-sample performance, with none of the existing estimators fully […]

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arXiv:2603.26478v1 Announce Type: cross Abstract: Motifs often recur in musical works in altered forms, preserving aspects of their identity while undergoing local variation. This paper investigates how such motivic transformations occur within their musical context in symbolic music. To support this analysis, we develop a probabilistic framework for modeling motivic transformations and apply it to Beethoven’s piano sonatas by integrating multiple datasets that provide melodic, rhythmic, harmonic, and motivic information within a unified analytical representation. Motif transformations are […]

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arXiv:2603.26301v1 Announce Type: cross Abstract: Many causal discovery algorithms, including the celebrated FCI algorithm, output a Partial Ancestral Graph (PAG). PAGs serve as an abstract graphical representation of the underlying causal structure, modeled by directed acyclic graphs with latent and selection variables. This paper develops a characterization of the set of extended-type conditional independence relations that are invariant across all causal models represented by a PAG. This theory allows us to formulate a general measure-theoretic version of Pearl’s […]

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