correlation
Sampling Data with Chains of Forward-Backward Diffusion Steps
Kang, Hyunmo, Levi, Noam Itzhak, Wegner, Corinna Elena, Korchinski, Daniel J., Wyart, Matthieu
Sampling from learned high-dimensional distributions is a foundational computational problem. We introduce U-turn chains: Markov chains obtained by iterating short forward-backward steps of a diffusion model, in which each step proposes a move that remains on the learned data manifold and, paired with a Metropolis-Hastings correction, samples from energy-modified targets. For synthetic languages, we show that minimal U-turn dynamics undergoes an ergodicity-breaking phase transition driven by fragmentation of the data manifold; ergodicity is restored at larger U-turn magnitude. In the non-ergodic regime, low-level features relax faster than high-level ones, an ordering that inverts only at sufficiently large U-turn magnitude. We test these predictions on natural language and natural images. In both modalities, minimal U-turns relax slowly, especially for high-level features approximated by deep representations in CNNs or LLMs. The layer-ordering inversion appears only at large noise when mixing is efficient -- signatures consistent with strongly constrained, weakly mixing local dynamics. We discuss the implications of these results for sampling with diffusion models.
Quaternion Self-Attention with Shared Scores
Yamauchi, Shogo, Nitta, Tohru, Tamori, Hideaki
Quaternion neural networks are parameter-efficient and model multidimensional dependencies by representing four related features as a single entity. However, existing quaternion self-attention computes component-wise scores and applies independent softmax operations to each component, which increases the computational cost and allows attention distributions to diverge across components. We propose a shared-score quaternion self-attention mechanism that computes a single real-valued score using the quaternion inner product and applies a shared attention distribution across all components. This reduces score-computation multiplications by 75% and the number of softmax operations from four to one. We prove that, when queries and keys are produced by quaternion linear projections that induce component pre-mixing, the component-wise and shared scores lie in the same interaction subspace, indicating that independent component-wise attention primarily re-parameterizes the same interactions rather than expanding the feature interaction space. In speech enhancement, our method reduces inference time by up to 44.3% on a GPU and 58.1% on a CPU while maintaining quality, with consistent trends across vision and natural language processing.
Isolating Nonlinear Independent Sources in fMRI with $ฮฒ$-TCVAE Models
Li, Qiang, Yu, Shujian, Malo, Jesus, Liu, Jingyu, Adali, Tรผlay, Calhoun, Vince D.
Learning meaningful latent representations from nonlinear fMRI data remains a fundamental challenge in neuroimaging analysis. Traditional independent component analysis, widely used due to its ability to estimate interpretable functional brain networks, relies on a linear mixing assumption for latent sources, limiting its ability to capture the inherently nonlinear and complex organization of brain dynamics. More recently, deep representation learning methods have emerged as promising alternatives for modeling nonlinear latent structure. However, many of these approaches have been evaluated primarily on simulated datasets or natural image benchmarks, with comparatively limited validation on real-world neuroimaging data such as fMRI. In this work, we are motivated by the $ฮฒ$-TCVAE (Total Correlation Variational Autoencoder), a refinement of the $ฮฒ$-VAE framework for learning latent representations without introducing additional hyperparameters during training. We adapt and modify this model to fMRI data for nonlinear source disentanglement, aiming to separate mixed spatial and temporal brain signals into interpretable components. We show that the $ฮฒ$-TCVAE framework can recover meaningful nonlinear spatial components with biological relevance, including well-established intrinsic connectivity networks such as the default mode network. Furthermore, we evaluate the learned representations using functional network connectivity, showing that the latent structure captures coherent and interpretable brain organization patterns. This study provides a pilot investigation that bridges nonlinear representation learning and fMRI analysis.
Comparing Two Categorical Gini Correlations with Applications to Classification Problems
This article proposes an inferential framework for comparing predictor importance in classification problems with categorical response variables. The approach is based on the categorical Gini correlation (CGC) proposed by Dang et al. (2020), a measure of dependence between numerical predictors and categorical outcomes. Predictor importance is evaluated by testing differences in CGCs across competing predictor groups. The proposed methodology accommodates predictors of arbitrary and unequal dimensions and allows for dependence between predictor groups. Asymptotic normality of the test statistic is established under both the null and alternative hypotheses, and the resulting test is shown to be consistent. In addition to deriving the asymptotic distribution, a nonparametric bootstrap procedure is developed as an alternative approach to inference. Simulation studies, along with applications to breast cancer and human activity recognition datasets, demonstrate the effectiveness of the proposed framework.
Flowing with Confidence
de Kruiff, Friso, Coscia, Dario, Welling, Max, Bekkers, Erik
Generative models can produce nonsensical text, unrealistic images, and unstable materials faster than simulation or human review can absorb; without per-sample confidence, trust erodes. Existing fixes run $k$ ensembles or stochastic trajectories at $k\times$ compute, measuring variability between models, not model confidence. We propose Flow Matching with Confidence (FMwC). FMwC injects input-dependent multiplicative noise at selected layers, propagates its variance through the network in closed form, and integrates it along the ODE trajectory, yielding a per-sample confidence score at standard sampling cost. The score supports multiple uses: filtering improves image quality and thermodynamic stability of crystals; editing rewinds trajectories to the points where the model commits and redirects them; and adaptive stepping concentrates ODE compute where the flow is ambiguous. We find that the confidence score correlates with the magnitude of the divergence of the learned velocity field, which gives us a window to understand the generative process, opening up surgical forms of guidance that target the moments that matter, new sampling algorithms and interpretability of generative models.
Testing properties of trees in graphical models with covariance queries
Burova, Sofiya, Calvillo, Francisco, Lugosi, Gรกbor, Zwiernik, Piotr
We consider the problem of testing properties of graphs underlying high-dimensional graphical models. We adopt the model of covariance queries introduced by Lugosi, Truszkowski, Velona, and Zwiernik (2021). We study the case when the underlying graph is a tree. The main results of the paper show that, while reconstructing the entire tree may be costly, certain global structural properties can be tested efficiently. In particular, we design randomized tests for global structural properties that use a sub-quadratic number of queries. We develop testing procedures for several fundamental properties, including the number of leaves, the maximum degree, the typical distance, and the diameter of the tree. For each property, we obtain explicit query complexity bounds that depend on the target threshold and tolerance parameters.
K-Models: a Flexible and Interpretable Method for Ordinal Clustering with Application to Antigen-Antibody Interaction Profiles
Patanรจ, Giulia, Menafoglio, Alessandra, Krauth, Alexander, Fechner, Peter, Dede', Luca, Colosimo, Bianca Maria, Nicolussi, Federica
Existing clustering methods for functional data often prioritize partitioning accuracy over interpretability, making it challenging to extract meaningful insights when the data-generating process follows a specific underlying structure and an ordinal relationship among clusters is suspected. This work introduces K-Models, a novel framework that integrates ordinal constraints and estimates key underlying elements of the random process generating the observed functional profiles, improving both interpretability and structure identification. The proposed method is evaluated through simulations and real-world applications. In particular, it is tested on Region of Interest (ROI) curves, which represent reaction profiles from a reflectometric sensor monitoring biomolecular interactions, such as antigen-antibody binding. These curves represent changes in reflected light intensity over time at multiple measurement spots with immobilized antigens during analyte exposure, capturing the binding dynamics of the system. The goal is to identify intrinsic signal patterns solely from the observed dynamics, making this dataset an ideal benchmark for assessing the added interpretability of the proposed approach. By incorporating structural assumptions into the clustering process, K-Models enhances interpretability while maintaining performance comparable to state-of-the-art techniques, providing a valuable tool for analyzing functional data with an underlying ordinal structure.
Generative Modeling of Approximately Periodic Time Series by a Posterior-Weighted Gaussian Process
Reich, Elias, Messineo, Saverio, Huber, Stefan
Discrete automated processes in industrial and cyber-physical systems often exhibit a repetitive structure in which successive repetitions follow a common trajectory while differing in duration, amplitude, and fine-scale dynamics. Such \emph{approximately periodic} behavior poses a challenge for Gaussian Processes (GP) modeling: strictly periodic models suppress inter-repetition variability, while non-periodic models fail to capture the strong structural regularities required for generation. In this work, we propose a stochastic generative model for approximately periodic time series. The model is based on a GP whose posterior is modulated by a novel kernel. Our approach decouples intra-repetition structure from inter-repetition variability through a two-stage construction which yields a generative distribution with a identical mean function across repetitions, while allowing smooth variation between repetitions. The modeling choices are supported by an implementation in which realistic synthetic trajectories are generated from toy datasets.
Deep Learning as Neural Low-Degree Filtering: A Spectral Theory of Hierarchical Feature Learning
Dandi, Yatin, Vilucchio, Matteo, Arnaboldi, Luca, Tabanelli, Hugo, Krzakala, Florent
Understanding how deep neural networks learn useful internal representations from data remains a central open problem in the theory of deep learning. We introduce Neural Low-Degree Filtering (Neural LoFi), a stylized limit of gradient-based training in which hierarchical feature learning becomes an explicit iterative spectral procedure. In this limit, the dynamics at each layer decouple: given the current representation, the next layer selects directions with maximal accessible low-degree correlation to the label. This yields a tractable surrogate mechanism for deep learning, together with a natural kernel-space interpretation. Neural LoFi provides a mathematically explicit framework for studying multi-layer feature learning beyond the lazy regime. It predicts how representations are selected layer by layer, explains how emergence of concepts arises with given sample complexity,and gives a concrete mechanism by which depth progressively constructs new features from old ones through low-degree compositionality. We complement the theory with mechanistic experiments on fully connected and convolutional architectures, showing that Neural LoFi improves over lazy random-feature baselines, recovers meaningful structured filters, and predicts representations aligned with early gradient-descent feature discovery with real datasets.
Information-Theoretic Generalization Bounds for Sequential Decision Making
Futami, Futoshi, Fujisawa, Masahiro
Information-theoretic generalization bounds based on the supersample construction are a central tool for algorithm-dependent generalization analysis in the batch i.i.d.~setting. However, existing supersample conditional mutual information (CMI) bounds do not directly apply to sequential decision-making problems such as online learning, streaming active learning, and bandits, where data are revealed adaptively and the learner evolves along a causal trajectory. To address this limitation, we develop a sequential supersample framework that separates the learner filtration from a proof-side enlargement used for ghost-coordinate comparisons. Under a row-wise exchangeability assumption, the sequential generalization gap is controlled by sequential CMI, a sum of roundwise selector--loss information terms. We also establish a Bernstein-type refinement that yields faster rates under suitable variance conditions. The selector-SCMI proof strategy applies to online learning, streaming active learning with importance weighting, and stochastic multi-armed bandits.