Machine Learning (Statistics) · Cross-listed from eess.SP
One Thing Leads to Another: The Essentials of Time Series Causal Discovery
Kurt Butler, Damian Machlanski, Michael P.J. Camilleri et al. (+5 more)
Time series causal discovery — the process of detecting causation between time series — has its roots in signal processing research from over a half century ago. It has since received active and widespread interest, evolving into different forms across domains such as statistics, dynamical systems and machine learning. Entering this fragmented and constantly evolving research landscape can be daunting. This tutorial provides a unified overview of time series causal discovery across research communities. We introduce the key principles invoked by modern discovery methods, and we discuss their limitations and assumptions. We also discuss how discovery methods are evaluated, benchmarked and fine-tuned. We further discuss how causal discovery for time series is becoming crucial for downstream tasks in agriculture and Earth science, in healthcare, and in artificial intelligence systems. We believe that this tutorial will serve as a valuable resource in navigating the deluge of recent causality research, as well as an invitation to signal processing audiences to contribute to causal problems. To further help readers, we host a companion repository to link to useful code packages and resources at https://github.com/CHAI-UK/Awesome-Time-Series-Causal-Discovery.
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All authors Kurt Butler, Damian Machlanski, Michael P.J. Camilleri, Zhihua Liu, Panagiotis Dimitrakopoulos, Feng Chen, Ricardo Silva, Sotirios A. Tsaftaris
Machine Learning (Statistics)
Model-free Bayesian Clustering and Multimodal Posterior Summarisation
Qing Li and Sara Wade
We develop a model-free, noise-aware
Bayesian clustering framework that constructs a martingale posterior over clusterings from a predictive
Bayesian perspective. This avoids explicit likelihood-prior model specification, expensive MCMC sampling, and mode-seeking variational approximations, while accommodating irregular cluster shapes and enabling parallel generation of posterior draws. To interpret the posterior over high-dimensional, noise-aware clusterings, we introduce a Wasserstein-type summarization method. Using a novel noise-aware loss, this approach compresses the large collection of posterior draws into a small set of weighted representatives, capturing distinct cluster structures and noise assignments. Further, we marginalise the uncertainty in the density level, avoiding reliance on a specific choice. We establish theoretical properties of the proposed loss and guarantees for the level-marginal posterior approximation. Results demonstrate the framework's effectiveness in capturing clustering and noise uncertainty.
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Machine Learning (Statistics) · Cross-listed from cs.LG
BLOKS: Scaling Kernel Solvers with Sketched Block Preconditioning
Giordano Vitale, Giacomo Meanti, Marco Rando et al. (+2 more)
Kernel Ridge Regression (KRR) is a theoretically sound
algorithm for nonparametric learning, which is also often used to investigate properties of deep learning. However, the exact KRR formulation incurs time and
memory costs preventing applicability to large
datasets, motivating the development of approximate solvers. These
algorithms rely on (i) iterative methods, to avoid the computational burden of direct solutions; (ii) sketching or batching, to reduce the problem size; and (iii) preconditioning, to accelerate convergence. While crucial for fast convergence, preconditioning incurs
memory costs that can be managed by lowering the number of free parameters of the model, potentially at the expense of expressivity and hence accuracy. To address this challenge, we propose BLOKS, a Conjugate Gradient-based solver for Nyström-sketched KRR built around a novel preconditioner that combines a block Jacobi approximation with sketching. The BLOKS preconditioner has
memory cost independent of both the
dataset size and the number of parameters, allowing scaling to large models. We provide a
memory-efficient, GPU-accelerated implementation and show that BLOKS achieves excellent accuracy while retaining favorable time/
memory complexity. Indeed, on standard large-scale
datasets used to
benchmark kernel solvers, BLOKS achieves comparable or better performances than state-of-the-art methods.
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All authors Giordano Vitale, Giacomo Meanti, Marco Rando, Blanca Ayuso de Dios, Lorenzo Rosasco
Machine Learning (Statistics)
Fast Gradient-Based Approximation of Continuous Dynamic Time Warping
Pierre Houedry, Romain Tavenard, Nicolas Courty et al. (+1 more)
Dynamic Time Warping (DTW) is a common choice for measuring the discrepancy between time series. It proceeds by finding an optimal warping between timestamps through dynamic programming, which can be slow and is not differentiable. Consequently, several variants have been proposed. Among them, Soft-DTW proposes a smooth formulation of DTW, amenable to gradient computation, while Continuous-DTW (CDTW) introduces a continuous formulation through parametrizable warping functions. Yet, computational costs remain high for both methods and impractical for large
datasets in modern machine learning pipelines. This paper revisits CDTW in several ways. After establishing its differentiability under mild conditions, we introduce FastCDTW, which is an efficient approximate solver with two different computational strategies: an exact closed-form scheme for piecewise-linear warping functions, and an unbiased Monte Carlo
estimator for smooth ones, such as implicit neural networks. Both strategies provide gradients with respect to the warping function and the input time series, and the resulting
algorithm is GPU-friendly. We demonstrate its benefits through its integration into more complex learning problems, including time series averaging, classification and deep domain adaptation.
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All authors Pierre Houedry, Romain Tavenard, Nicolas Courty, Romaric Gaudel
Machine Learning (Statistics)
Why Heavy-Tailed Weight Spectra Predict Model Quality
Joseph Wilson, Chris van der Heide, Liam Hodgkinson et al. (+3 more)
A solid understanding of the predictive success of deep neural networks (DNNs) remains elusive. For example, while many data-dependent metrics exist that seek to predict model quality of DNNs, these metrics may be expensive to compute for large
datasets and/or may be impossible to compute when training
datasets are not released. A practical and effective predictor of model quality involves analyzing DNN weight
matrices, as prior work has established that heavy-tailed spectral distributions in trained weight
matrices can be strongly predictive of model quality. However, such metrics lack a rigorous statistical justification. In this work, we aim to understand why these metrics perform well, from a statistical perspective. To do so, we employ a probabilistic framework to derive the marginal likelihood for a DNN, evaluated using only the final layer weights. Across large-scale convolutional DNNs and LLMs, we find that this marginal likelihood predicts model quality. To understand the role heavy-tailed spectra play in predictive performance, we derive the limiting log-marginal likelihood for spectra that follow the (heavy-tailed) High-Temperature Marchenko-Pastur (HTMP) distribution. We show that this limiting quantity is convex in a heaviness parameter, and we derive an optimal heaviness that empirically predicts over-fitting for large-scale DNNs.
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All authors Joseph Wilson, Chris van der Heide, Liam Hodgkinson, Zhichao Wang, Fred Roosta, Michael W. Mahoney
Machine Learning (Statistics) · Cross-listed from cs.LG
Target-Constrained Pooling for Trajectory Extrapolation
Ning Wang, Claire Cardie and Sainyam Galhotra
Trajectory extrapolation from a partial target trajectory is underdetermined, but completed related trajectories provide information about the unresolved continuation. We propose target-constrained pooling (TCP), which separates the finite-horizon endpoint from continuation shape and estimates that endpoint from two complementary source signals. Uniform pooling captures final response levels, while matched-increment pooling captures the remaining change after aligning source and target states. TCP selects representative sources, projects both endpoint estimates onto a target-consistent region, converts them into corrections of the free forecast, and controls their influence through strength calibration and degradation-aware weighting. Across 25,245 targets from five domains and both forecasting directions, TCP reduces mean RMSE by 35.8% to 42.1% for all ten target-only forecasters and improves all 100 forecaster,
dataset, and direction comparisons. The two endpoint signals consistently outperform either alone, while representative selection remains within 0.64% to 1.02% of the full donor pool using 12.7x fewer donor inputs and 138.8x fewer matching distance computations.
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Machine Learning (Statistics) · Cross-listed from cs.CL
Forecasting Corpus-Sampling Disagreement in Masked Text Reconstruction
Hare Krishna
If a second text corpus were collected from the same population, how much would a predictor's outputs change? We study this question for masked-text reconstruction using a smoothed predictor built from nearby
token-pair counts and evaluated over the full 50,257-
token GPT-2 vocabulary. Treating each source document as one observation, we derive a first-order formula for the expected disagreement between predictors fitted to two independent corpora. The formula accounts for variable document length, random context counts, and correlations across
token offsets, and it can be evaluated from a separate reference corpus without access to either target corpus. On TinyStories, WikiText-103, and CNN/DailyMail, growing each corpus from 512 to 2,048 chunks of 64
tokens lowers disagreement by only 5–40%, far short of the 75% implied by $1/n$ scaling. The forecast tracks this slow decline, which we trace to smoothing of rarely seen contexts. Forecast accuracy depends less on how these correlations are modeled than on the size of the reference corpus: small references systematically underpredict disagreement. A source-split jackknife that uses only reference data reduces this calibration error by 57–59%. After this correction, a simpler smoothed-multinomial approximation is most accurate when the reference corpus is smaller than the target corpus, and a nonlinear source bootstrap is most accurate when it is larger. Finally, small masked
diffusion language models trained on the same corpora show that the count-based forecasts partly identify which inputs are most sensitive to the corpus, but miss the neural models' much faster decline in disagreement.
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Machine Learning (Statistics)
Scan-Parallel Variational Inference for event-driven Latent Jump Models
Vansh Bansal, Min Chen and James G. Scott
Continuous-time latent state-space models are widely used for irregularly observed time series, typically representing uncertainty through a random initial state followed by smooth ordinary differential equation (ODE) dynamics, or Brownian perturbations accumulated by a
stochastic differential equation (SDE). While these constructions are natural for smooth or diffusive systems, they do not directly encode a finite set of unobserved shocks whose timing, magnitude, and effect on
memory are themselves uncertain. We instead introduce latent jump models (LJMs): the latent state follows closed-form deterministic dynamics between Poisson-driven event times and undergoes a learned instantaneous jump at each event, with state-dependent intensity and mark distributions. This defines a time-homogeneous Markov process whose jumps are intrinsic state transitions rather than numerical integration steps. For training, we derive a tractable event-augmented path-space evidence lower bound (ELBO) and introduce Scan-Parallel Variational Inference (SPVI): an observation-conditioned variational posterior samples the complete latent event configuration before the state recurrence is evaluated using triangular affine scans. This enables fast and scalable training for LJMs in logarithmic temporal depth. Across synthetic
stochastic systems and real irregular time series, LJMs remain competitive with continuous-time latent baselines in forecast accuracy, often with fewer latent updates than numerical solver evaluations, while training one to two orders of magnitude faster than the sequential baselines.
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Machine Learning (Statistics) · Cross-listed from stat.ME
Spatial Prediction with Guided Diffusion
Andrew Zammit-Mangion, Lachlan Astfalck, Raphaël Huser et al. (+2 more)
Spatial prediction is a critically important task in data analyses that involve spatially or spatio-temporally-referenced data. It is commonly carried out using hierarchical models, which comprise a process model describing the latent process of interest, and a data model describing how the process is observed. The target quantity is the predictive distribution, which is the conditional distribution of the latent spatial process given the observed data. Unfortunately, the predictive distribution is rarely available in closed form and can be difficult to sample from. Here, we show how recent developments in guided
diffusion modelling from machine learning can address a wide class of problems in spatial prediction when the likelihood function derived from the data model is known and differentiable, possibly after relaxation. To show the versatility of the approach, we apply it to both Gaussian and non-Gaussian process models and a variety of data models that describe direct partial observations, linear and areal aggregates, counts, right censoring, and area-exceedance functionals. Where possible, we validate the framework against exact and Markov-chain-Monte-Carlo (MCMC)-derived predictive distributions. We demonstrate our approach on several simulation studies and in a controlled experiment of methane-flux inversion over the UK and Ireland. We show that guided
diffusion can sample from the correct predictive distribution in a variety of settings, that it can be applied to models where MCMC is intractable, and that it scales well with the dimensionality of the latent process.
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All authors Andrew Zammit-Mangion, Lachlan Astfalck, Raphaël Huser, Christopher Nemeth, Henry B. Moss
Machine Learning (Statistics)
From Imbalance to Evidence: Deep Nonparametric Testing for Complex Data under Severe Sample Imbalance
Guanhao Zhou and Xiufan Yu
Comparing distributions under severe sample imbalance requires effectively using abundant majority observations while retaining sensitivity to differences involving the smaller sample. This challenge is particularly relevant for complex, non-Euclidean data, such as graphs, whose structural characteristics call for flexible testing procedures. Classifier two-sample tests (C2STs) provide such flexibility, but existing procedures are primarily designed for balanced or comparably sized samples. In this paper, we study C2STs in a highly imbalanced regime, and show that severe sample imbalance may substantially degrade testing performance. Different from conventional imbalanced learning approaches that treat sample imbalance merely as a nuisance for classifier training, we turn it into a source of repeated testing evidence. Building on this insight, we propose an Enhanced Imbalance-Aware Deep Classifier Two-Sample Test (EIAD-C2ST), a classifier-agnostic framework designed for sample imbalance that accommodates diverse data modalities by tailoring classifiers to data structure. For computationally expensive deep classifiers, we further develop a scalable representation-amortized implementation strategy. Theoretically, we establish rigorous guarantees on asymptotic size and characterize conditions for power consistency, allowing the imbalance ratio to diverge. We demonstrate the empirical gains using simulations and an application to blockchain forensics. The results reveal that the majority-sample surplus, when properly leveraged, can be organized into useful statistical evidence, rather than an obstacle, for distributional comparisons with complex data.
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Machine Learning (Statistics)
Sparse Dictionary Learning for Measure-Valued Data via Linearized Optimal Transport: Efficient Algorithms and Sample Complexity
Brendan Mallery, Shuchin Aeron and James Murphy
We study dictionary learning for probability measure-valued data by
embedding measures into
Hilbert spaces using features derived from optimal transport geometry. We learn data-adapted dictionaries through sparse autoencoder parameterizations, producing fast, scalable representations of probability measures as sparse finite-dimensional codes. The resulting framework combines the rich,
geometric structure of optimal transport with the interpretability and efficiency of sparse representation learning. We demonstrate its utility across diverse data modalities, including hyperspectral images,
geometric point clouds, and document
embeddings in large
language model latent spaces. We also prove generalization bounds for sparse dictionary learning objectives on broad classes of $L^2$-valued measure
embeddings, expressed in terms of the metric complexity of the atom class. For optimal transport and entropic transport map dictionaries, we derive new covering number bounds that yield explicit rates. Together, our computational and theoretical results support a new, scalable model for representation learning in the space of probability measures via
embedding into
Hilbert spaces.
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Machine Learning (Statistics)
Beyond Second-Order Information: Paid Logistic Regression with Noisy Features
Sanghwa Kim, Kyoungseok Jang and Se-Young Yun
We consider online binary prediction with paid
stochastic features, where the learner can spend resources to obtain better observations of the underlying features. This setting is motivated by applications such as medical testing, where additional cost can provide more precise measurements of patient's features for predicting a binary outcome. At each round, a latent feature is drawn i.i.d., the response is generated through a logistic model, and the learner chooses how much to pay before observing a noisy version of the feature. The goal of learner is to jointly control prediction loss and acquisition cost. In contrast to the former result on the online linear regression with paid features, covariance information alone is no longer sufficient: two noise distributions with the same covariance may induce different optimal logistic losses, and lower variance can even lead to higher loss. Under a structural ordering in which larger payments yield better observations by removing independent noise, we obtain $\widetilde O(\sqrt{T})$ regret when the noise structure is known and $\widetilde O(T^{2/3})$ regret when it is unknown, with matching lower bounds up to logarithmic factors.
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Machine Learning (Statistics)
Generalized Determinantal Point Processes for Attraction and Repulsion with Distinct Interaction Kernels
Hideaki Ishibashi, Takahiro Kawashima and Hideitsu Hino
Determinantal point processes (DPPs) model subset selection probability with repulsion, but many applications also exhibit attraction arising from pairwise relations or shared latent structures. Nonsymmetric DPPs (NDPPs) capture both effects, but their kernels are difficult to interpret and specify. We propose the determinant-ratio point process (DRPP), which models repulsion and attraction via a ratio of the determinants of two symmetric positive-definite kernels. This formulation preserves the feature-based interpretation of standard DPPs while allowing the two effects to be specified separately. Furthermore, we introduce an auxiliary-variable representation that enables efficient MCMC sampling and yields tractable expectation formulas for key statistics including the normalizing constant, which together facilitate maximum-likelihood learning. We theoretically characterize the interaction structures well suited to DRPPs: for clustered attraction with $C$ latent groups, DRPPs exactly realize the target pairwise interactions with an attraction rank $C$, whereas NDPPs can require a rank that grows with the number of items given the same repulsion component. Conversely, nontransitive pair-specific attraction may require compensation through the DRPP repulsion kernel. Experiments support these predictions, showing that DRPPs fit transitive attraction with substantially fewer parameters than NDPPs.
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Machine Learning (Statistics)
Universal Bounds for Self-Normalized Kullback-Leibler Estimation
Buu Phan, Lester Mackey and David Alvarez-Melis
This work studies an
entropy-based
estimator of Kullback-Leibler (KL) divergence constructed from normalized importance weights. We prove a universal finite-sample bound showing that its expectation can exceed the target-proposal KL divergence by at most $\log 2$ for any sample size. We then characterize the KL divergence between the distribution induced by importance-weighted resampling and the proposal, showing that it is upper bounded by both the expectation of the
entropy-based
estimator and the target-proposal KL divergence. Importantly, these bounds require neither bounded importance weights nor finite higher moments. We apply these results to test-time
alignment of generative models via Soft Best-of-$N$ sampling, an importance-sampling-based scaling technique proposed by Verdun et al. (2025), and to relative
entropy coding, obtaining finite-sample policy-divergence certificates and moment-free bounds on coding cost.
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Machine Learning (Statistics)
Two-way Guidance: Simultaneous Learning of Summary Statistics for Generative Bayes
Percy S. Zhai, Max Pachman, Peverel D. Shipley et al. (+1 more)
Bayesian simulation-based inference (SBI) can struggle to recover increasingly concentrated posteriors as observation size grows. We consider learning sufficient summary statistics jointly with the posterior as a general principle for scalable inference in various SBI methods. A common measure taken in SBI is dimension reduction through predetermined summaries, which may partially discard posterior information. Our approach instead imposes structure on how the posterior learner depends on a learned summary (e.g., affinity), and learns the summary simultaneously with the posterior. We identify an important mechanism named two-way guidance: under a structural restriction on the summary, the posterior sufficiency of the learned summary simplifies posterior learning, whereas a suitable posterior objective guides the learned summary towards posterior sufficiency. This mechanism explains a counterintuitive finding that the structural restriction on the summary statistics improves posterior learning, rather than limit its performance. We establish theoretical guarantees on both posterior estimation error and the learned summary's departure from sufficiency, thus identifying conditions on the simulation budget for recovering increasingly concentrated posteriors as observation size grows.
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All authors Percy S. Zhai, Max Pachman, Peverel D. Shipley, Jungeum Kim
Machine Learning (Statistics)
Scalable Learning of Determinantal Point Processes with Kernel-Structured Interactions
Takahiro Kawashima and Hideitsu Hino
Determinantal point processes (DPPs) on a finite set are probability models that exhibit repulsion where inter-item similarities are encoded by a positive definite kernel
matrix. Scaling DPP learning to large
datasets typically requires imposing structural constraints on the kernel
matrix, such as a low-rank-plus-diagonal form. However, structural assumptions introduce a severe trade-off between expressive power and computational scalability. Our study addresses this challenge by (a) modeling the full-rank interactions via a nonlinear kernel function and latent features, (b) designing a surrogate function for the maximum likelihood
estimator, and (c) adopting
stochastic optimization using random features of the nonlinear kernel. Numerical experiments on real-world
datasets demonstrate that our method significantly improves this trade-off, achieving better generalization performance with remarkable parameter efficiency.
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