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Thursday 8 October

Machine Learning (Statistics) · Cross-listed from cs.LG

Verification with Transfer: Exact Information Frontiers and Their Price in Calls

A verifier that accepts or rejects whole answers reveals little: under a flat prior over $k$-bit answers, zero error needs $2^k-1$ verifications. The usual remedy is to solve related source tasks, either all first, as a curriculum does, or interleaved with verification. We price this remedy in information and in calls. With an exact verifier, the least causal information that any interleaving of source calls and $n$ verifications needs to succeed with probability $s$ is a list rate-distortion function, attained by one observation before any verification. It lower-bounds the expected number of binary source calls, which designed sources meet within $1+\log_25$ calls for unique answers and within a logarithmic term in general, where no additive constant suffices. With an exact verifier and fixed sources, moving every call before the first verification preserves all hard caps on calls, although interleaving can save unboundedly many expected calls; under a noisy verifier, source-first protocols can lose unbounded factors in information and in error. For linear banks over $\mathbb{F}_2$, optimal accuracy has a closed form, and after a polynomial-time reduction the budget profile is computable in time $2^{O(h^2)}\operatorname{poly}(J,k+h)$ for $J$ sources and nuisance dimension $h$. In these banks, for zero error under a hard cap, the calls beyond the rounded-up information price are exactly those spent on nuisance. Every numbered result apart from two clauses about the planner is machine-checked in Lean 4, assuming two published results. Used as a ruler, the frontier shows a small transformer using all delivered bits at latent dimension $5$ and none at $11$ within fixed training budgets; in a test with predictions recorded before training, low XOR degree of the target bits did not suffice for their use.
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Machine Learning (Statistics)

Quickest Change Detection with Diffusion-Integrated Scores

Classical CUSUM relies on the log-likelihood ratio of the underlying distributions, which cannot generally be computed from finite pre- and post-change samples alone. We propose diffusion-integrated score CUSUM (DI-SCUSUM), a training-free detector. We add Gaussian noise to the samples to form two smooth density estimates and calculate their Hyvärinen scores exactly, without training a score network. For each incoming observation, we sample a diffusion time, perturb the observation, and use the importance-weighted score difference as an increment in the DI-SCUSUM recursion. Under the assumption that observations follow the fixed empirical distributions, the post-change mean increment is proportional to the Kullback-Leibler (KL) divergence from the smoothed post-change to the smoothed pre-change empirical distribution. We establish exponential false-alarm scaling and a first-order delay bound that, for a fixed threshold and increment scaling, is inversely proportional to the KL divergence. In the calibrated anisotropic Gaussian simulation, DI-SCUSUM nearly matches likelihood-ratio CUSUM and reduces the measured detection delay by about 91% relative to score-based CUSUM. On MNIST and Oxford-IIIT Pet, DI-SCUSUM also has lower empirical conditional detection delay than SCUSUM at comparable false-alarm levels.
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All authors Arman Adibi, Mohammadreza Maleki, Sanjeev Kulkarni, H. Vincent Poor

Machine Learning (Statistics) · Cross-listed from cs.LG

Credal Machine Learning for Risk-Averse Decision Making

In many machine learning applications, it is necessary to guard against worst-case scenarios and predictions that could result in substantial losses. In principle, this can be achieved by training risk-averse predictive models that minimize loss functions such as conditional value-at-risk (CVaR), rather than relying on models that perform well on average. In practice, however, the effectiveness of this approach to risk aversion is undermined by the learner's uncertainty regarding the true loss distribution and, consequently, the true CVaR. To achieve reliable risk-aversion, we propose a method in which this (epistemic) uncertainty is represented in terms of credal sets, i.e., sets of probability distributions. More specifically, we develop an efficient yet reliable learner that produces predictions in the form of credal sets and combine it with a novel decision rule that maps each credal set to a single predictive distribution for CVaR minimization. Across classification, under distribution shift, and in reinforcement learning, our approach reliably avoids catastrophic decisions, while sacrificing little in expected performance.
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All authors Timo Löhr, Paul Hofman, Maximilian Muschalik, Eyke Hüllermeier

Machine Learning (Statistics)

Differentiable Systematic Resampling for Variational Sequential Monte Carlo

Particle filters are a standard tool for nonlinear state estimation, but their resampling step is discrete, preventing gradient-based learning in variational sequential Monte Carlo. We introduce Differentiable Systematic Resampling (DSR), a temperature-controlled relaxation of systematic resampling, that preserves the CDF-ordered, banded structure of systematic resampling while enabling full gradient flow. DSR converges to exact systematic resampling as the temperature vanishes, and we prove a pointwise exponential convergence rate for the induced bias. Compared to optimal-transport-based differentiable resampling, DSR avoids iterative solvers and has substantially lower computational overhead. Experiments on stochastic dynamical systems and real-world handwriting data show that DSR achieves comparable or superior filtering and dynamics learning performance.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Exploiting Gradients in Bayesian Inference of Expensive Simulators

Simulators based on differential equations are ubiquitous in science and engineering. They are often used in simulation-based inference to evaluate the posterior distribution of the input parameters based on real-world observations of the simulator outputs. However, inference becomes challenging when individual simulator evaluations are computationally expensive. In such cases, a Bayesian optimization-based active learning approach with Gaussian process surrogate models has been used to maximize the information obtained from a limited simulation budget. Recently, gradients of simulator outputs with respect to input parameters have become increasingly available, yet they are rarely exploited for inference. Even though we only need to learn the simulator input-output relationship, gradient information can provide an additional valuable signal to guide the active learning procedure. This is of particular interest in the case of expensive simulators, when sample efficiency is crucial. In this paper, we demonstrate how incorporating gradient information into the Gaussian process surrogate accelerates Bayesian optimization-based inference under a limited simulation budget. Our results show significant improvement in convergence speed from using gradient information. For reverse-mode differentiation, the inference efficiency gains are maintained when accounting for the additional computational cost. In contrast, for forward-mode differentiation, the inference speed-up does not outweigh the computational costs. These results indicate that gradient-enhanced surrogates are beneficial primarily in problems where the number of parameters exceeds the output dimensionality, where reverse-mode differentiation is efficient.
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Machine Learning (Statistics)

Diffusion Removes Langevin's Conditioning Dependence: A Sharp Gaussian Analysis

Despite their empirical success, why diffusion models overcome the bottlenecks of classical score-based samplers remains unclear. In this work, we leverage Gaussian distributions to isolate this phenomenon. We establish 2-Wasserstein convergence bounds for optimized hyperparameters, showing that diffusion processes achieve a sampling error of $O(\sqrt{d\lambda_{\max}}\log N/N)$, where $d$ is the dimension, $N$ the number of sampling steps, and $\lambda_{\max}$ the largest eigenvalue of the target covariance matrix. Unadjusted and underdamped Langevin dynamics suffer from an additional $\sqrt\kappa$ factor, where $\kappa$ is the condition number. These rates follow from spectral bounds which are sharp: we confirm them via matching first-order asymptotics as $N\rightarrow\infty$. Our analysis provides a rigorous characterization, in the Gaussian setting, of how time-dependent score trajectories remove condition-number dependence during sampling. By contrast, in the learning phase, we show that estimating the unnoised score by gradient descent leads to essentially the same estimator as estimating a noisy score, which suggests that the benefits of noising do not come from the learning phase.
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Machine Learning (Statistics)

Efficient and Generalizable Archetypal Analysis for Discrete Data

Archetypal Analysis (AA) represents observations as convex combinations of extremal data-driven profiles, yielding interpretable low-dimensional descriptions of complex datasets. Classical AA relies on a least-squares objective, which is poorly suited to discrete observations such as binary, count, and categorical data. We introduce an efficient likelihood-based framework for AA supporting Bernoulli, Poisson, and multinomial observation models. Our optimization scheme employs local quadratic approximations of the negative log-likelihood, enabling constrained updates through sequential minimal optimization (SMO) and an active-set method. Scalability is improved by bounding the active set while preserving simplex feasibility. We further introduce a cross-validated predictive likelihood criterion for selecting the number of archetypes, providing a principled alternative to reconstruction-error heuristics and stability-based diagnostics. Synthetic experiments demonstrate computational efficiency and accurate recovery of model complexity. Applications to single-cell RNA sequencing, microbiome composition, and somatic mutation data show that the learned archetypes capture interpretable domain-specific structures while achieving competitive likelihood fits and stable solutions. Overall, the proposed framework enables efficient likelihood-based archetypal analysis of discrete data, complemented by predictive likelihood-based model selection.
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Machine Learning (Statistics)

Efficient quadratic entropy with distance sketches

We detail scalable methods for approximating the quadratic entropy $p^T d p$ for arbitrary distributions $p$ and common distances $d$ of negative type. We focus on the Euclidean and spherical geodesic cases, which both use random feature embeddings and projections to dramatically improve computational complexity within a simple framework. Amortization of a single large matrix multiplication and control variates further enable computation at large scale with low memory and runtime in situations where $d$ is held constant while $p$ varies. We demonstrate this with a comparison against direct pair sampling and bibliometric/scientometric examples on Open Graph Benchmark datasets, revealing papers, fields, and institutions with both particularly narrow and broad interdisciplinary reach from their citations and text features alone.
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Machine Learning (Statistics)

Score-Based Learning of Cluster DAGs from Interventions

Graphical approaches to causal abstraction transform a low-level causal directed acyclic graph (DAG) over many measured variables into a smaller, high-level DAG whose nodes cluster the original variables and whose edges summarize the causal relations between clusters. Such cluster DAGs are easier to interpret, but learning them requires finding the clusters and recovering the edges between them. Madaleno et al. (2026) learn the interventional coarsening (the cluster DAG that merges variables the interventions cannot distinguish) in two constraint-based phases: first the clusters, then the edges. We introduce COARSE, the first score-based method for this task: it keeps the two-phase structure but, under linear Gaussian assumptions, swaps the constraint-based edge phase for a score-based one. We show that the interventions themselves identify a causal order over the clusters, and learning the edges reduces to a single local search per cluster under a cluster-level BIC score. We prove that the procedure runs in polynomial time and, provided the variables affected by each intervention are correctly identified, that it is consistent. On synthetic and real-world interventional data, COARSE matches state-of-the-art edge recovery given enough samples, with an edge phase up to two orders of magnitude faster, including on dense graphs with hundreds of nodes.
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Machine Learning (Statistics)

RobustLDS: Learning linear dynamical systems under adversarial corruptions

We consider the problem of learning linear dynamical systems under adversarial contamination from a single trajectory of length $T$. While identification of linear dynamical systems itself is well-studied, the problem of robust system identification under adversarial contamination is relatively less explored. In this work, we study the setting where a fraction of the $T$ observations are contaminated by adversarial outliers. We propose different estimators based on relaxations of least-trimmed squares along with an alternating minimization algorithm. Furthermore, we also propose two estimators which exploit the group-sparsity (through penalization/hard-constraints) of the outliers. For the estimator with group-sparse penalty, we derive non-asymptotic error bounds which establish its robustness to outliers. We also show empirically that the proposed estimators work well in practice.
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Machine Learning (Statistics)

Learning structured linear dynamical systems from missing observations

We consider the problem of learning structured linear dynamical systems over convex sets $\mathcal{K}$, where only a small subset of the observations are available at each time point. An estimator which minimizes a bias-corrected, potentially non-convex objective function is proposed. Non-asymptotic bounds are obtained for the statistical error, which depend on the local complexity of $\mathcal{K}$, the trajectory length $T$, and the sub-sampling probability $p$. Convergence of the projected gradient descent algorithm is also established. The general theory is applied to settings where (i) $\mathcal{K}$ is a subspace, (ii) $\mathcal{K}$ is the set of bi-isotonic matrices, and (iii) $\mathcal{K}$ is the set of matrices whose rows are formed by sampling Lipschitz functions. We show meaningful recovery of the transition matrix is possible for values of $T$ much smaller than what is required in the unconstrained case, and for $p = o(1)$.
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Machine Learning (Statistics)

Conditional Kernel Stein Discrepancy

Kernel Stein discrepancies (KSDs) provide a versatile tool for comparing distributions. One of their main applications is in quantifying the goodness-of-fit (GoF) between a data-generating distribution and a prescribed target distribution. In this work, we study the related problem of conditional GoF quantification: given only a (possibly non-normalized) conditional target model, without information on the distribution of its covariates, and samples from a joint distribution, the goal is to assess how well the conditional distribution of the samples matches the target. To tackle this setting, we present a framework that allows lifting unconditional KSDs to the conditional setting through an operator-valued kernel on the covariate space, going beyond the known Euclidean case. We establish that our suggested statistic vanishes if and only if the conditional model and the true conditional distribution agree for almost all covariates and deploy it to test conditional GoF on smooth manifolds and on discrete spaces. Our experiments on level, power, and runtime demonstrate the viability of testing on these domains using the proposed statistic.
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Machine Learning (Statistics)

Softmax Attention on Gaussian Mixtures: Linear When It Can, Selective When It Must

Softmax attention, at the heart of Transformers, has demonstrated remarkable capabilities. Yet its underlying mechanisms remain only partially understood. Recent theoretical work studies Gaussian prompts, where the infinite-prompt limit reduces softmax attention to a linear map, but also removes the query-dependent selection that distinguishes it from linear attention. This work studies the infinite-prompt limit of softmax attention on Gaussian mixtures, which retain the tractability of Gaussian data while introducing latent structure, multimodality, and nonlinear dependencies. We show that softmax attention can represent and learn, via gradient-based methods, optimal solutions to a range of statistical tasks, including supervised classification and denoising. Our results highlight two complementary capabilities of softmax attention: it can recover linear tasks as effectively as its simpler linear counterpart, while also exploiting query-dependent context selection to solve nonlinear tasks beyond the reach of linear attention.
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Machine Learning (Statistics) · Cross-listed from math.ST

Optimal random quantisers for spherically symmetric distributions

Zador's celebrated theorem is a cornerstone of optimal quantisation: it establishes both the weak limit of the empirical distribution of an optimal $n$-point quantiser in $R^d$ and the decay rate of the associated $L_s$-mean quantisation error. In large dimension, however, observing this asymptotic behaviour requires an astronomically large sample size. We prove that, for spherically symmetric target distributions, optimisation over all spherically symmetric distributions is a convex problem and derive an equivalence theorem that both characterises global optimality and yields a constructive algorithm. We show that, for moderate $n$, random quantisers uniformly distributed on a sphere of suitably chosen radius $R$ perform exceptionally well and, over a broad range of values of $n$, are numerically certified to be optimal among all random quantisers. Their expected distortion has an explicit integral representation that can be evaluated to arbitrary precision, and we prove concentration across random quantisers: the distortion variance tends to zero as $n\to\infty$ for fixed $d$. For $s=2$, both the optimal radius and the associated minimum expected distortion admit exact expressions. For general $s$, the optimal radius can be determined efficiently, and extreme-value theory provides useful approximations when $n$ grows with $d$. Depending on this growth rate, $R$ either converges to zero or approaches a positive limit that is independent of $s$.
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Machine Learning (Statistics)

$\sigma$Transfer: Uncertainty Transfer from Small to Large Networks under $\mu\mathrm{P}$

Reliable predictive uncertainty in Laplace approximations depends critically on the prior precision, yet selecting it requires a posterior sweep that is prohibitively expensive for neural networks with billions of parameters. Under the Maximal Update Parametrization ($\mu\mathrm{P}$), we derive a rescaling of the prior covariance that makes the selected precision stable as model width grows. This leads to $\sigma\mathrm{Transfer}$: we select the precision on a smaller model and zero-shot transfer it to the much larger model, i.e., without searching for the precision on the larger model at all. We show convergence of the prior kernel, posterior covariance, selected precision, and posterior-derived decisions under explicit conditions, and verify $\sigma\mathrm{Transfer}$ across regression, image classification, and Transformer readouts. For example, measured precision-sweep speedups reach $\sim 5000\times$ when transferring from width 128 to 4096 on MNIST, at a target-NLL degradation of $0.002$; transferring from a public 1B to 7B model gives a median search speedup of $\sim 2.3\times$ (up to $\sim 330\times$), with a mean measured target-NLL increase below $10^{-4}$ across ten tasks. The same posterior stability also enables transfer of acquisition, OOD-detection, and abstention decisions without constructing a target posterior.
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All authors Richard Bergna, Fernando Ruiz Mazo, Nicolò Felicioni, José Miguel Hernández-Lobato, Kamil Ciosek

Machine Learning (Statistics)

Minimax Gaussian Mechanisms for Continual Machine Unlearning

Machine unlearning updates a trained model after records are deleted, aiming to match exact retraining without repeating the full training procedure. We develop Gaussian mechanisms for Newton updates under sequential deletion requests. Using Gaussian differential privacy (GDP) and its adaptive composition rule, we show that the full sequence of released models is statistically difficult to distinguish from matched exact retraining. To calibrate these mechanisms for empirical risk minimization, we derive upper bounds on the error of the Newton approximation relative to exact retraining and on how this error changes after each deletion batch. Independent Gaussian noise is calibrated using bounds on the full residual at each release, whereas Gaussian random walk noise uses smaller bounds on residual increments. These bounds yield allocations minimizing the worst-case maximum noise variance across releases under the resulting GDP certification constraints. With count-based bounds, the random walk asymptotically matches the worst-case variance of a single release at deletion cap $M$, while independent noise incurs an additional factor of order $M$. Set-based bounds can reduce the noise variances by using gradients and Hessians of the deleted records. For singleton deletion, we further show that count-based independent noise, count-based random walk noise, and set-based independent noise are minimax among fixed Gaussian covariances under their respective residual or increment bounds. With set-based bounds, allowing variances to adapt to deleted records can improve on every fixed covariance by a factor of order $(\log M)^2$ on some data sequences. The residual and noise bounds also yield parameter and predictive consistency relative to exact retraining, uniformly over deletion policies. Simulations and a credit default data analysis evaluate bounds, noise variances, and estimation errors.
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Machine Learning (Statistics)

Embedding-Bias in Conditional Independence Testing

To test conditional independence of $X$ and $Y$ given a text or an image $Z$, one conditions on an embedding $\psi(Z)$ in place of $Z$. The embedded test is valid if $Z$ is independent of $X$ or of $Y$ given $\psi(Z)$, which cannot be confirmed from data, and when this fails, the rejection probability under the null hypothesis can tend to one. We study this failure, and show that focusing on a specific form of dependence relaxes what the embedding must retain. For a residual correlation test inspired by the Generalised Covariance Measure, validity only requires that the parts of $\mathbb{E}[X \mid Z]$ and $\mathbb{E}[Y \mid Z]$ missed by $\mathbb{E}[X \mid \psi(Z)]$ and $\mathbb{E}[Y \mid \psi(Z)]$ are uncorrelated. Otherwise, we treat the discarded information as an omitted variable. Under the null hypothesis, the bias equals the absolute correlation of the missed parts times the geometric mean of two partial $R^2$ values. This identity yields a robust test valid under a declared tolerance for the geometric mean, which, like a sensitivity parameter, is not identified from the data. On synthetic data and text embeddings, the robust test holds its level approximately. On text generated by a language model, under an exact null hypothesis, every embedding, even the generator's own states, biases the embedded test.
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Machine Learning (Statistics) · Cross-listed from stat.AP

Automated Detection of Match Phases in Football from Spatio-Temporal Tracking Data Using Graph Neural Networks

Spatio-temporal tracking data has opened new possibilities for detecting complex tactical patterns in football, yet modeling the interactive movements of multiple players remains challenging. This paper proposes a framework combining graph neural networks (GNNs) with a sequential model to classify match phases on a second-by-second basis across a seven-class taxonomy. Match phase classification is tactically meaningful, and the availability of rule-based labels across 203 matches makes it a suitable testbed for a systematic comparison of adjacency constructions and message-passing layers, a question that has received limited attention in existing research. Our selected GNN-LSTM model outperforms all aggregated-feature baselines, including XGBoost and a Long Short-Term Memory (LSTM) network, as the strongest baseline scores 4.6% lower in macro F1. Graph representations using a domain-informed Delaunay triangulation that approximates passing lanes, paired with a custom Spatial Edge-Augmented Convolution (SEAConv) layer that injects edge attributes directly into messages, achieve the best performance by capturing spatial dependencies while limiting uninformative messages from redundant edges. Integrated Gradients attributions indicate the model uses spatial player configurations, particularly horizontal positioning, in combination with possession and ball-status indicators. This work offers an automated solution for fine-grained tactical analysis, reducing the need for manual tagging and providing deeper insight into dynamic team behavior.
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All authors Vincent Renner, Nils Koster, Pascal Bauer, Melanie Schienle

Machine Learning (Statistics)

LAIR-Net: Leaky Alignment-Impulse Residual Networks for Tabular Regression

Deep randomized models fix hidden-layer parameters through random initialization and learn only closed-form readouts, typically adding depth by stacking random trans formations without target-aware control of hidden-state evolution. We propose LAIR Net, the Leaky Alignment-Impulse Residual Network, which mixes a shallow learned anchor into each hidden state through a leaky residual transition. We derive a depth uniform bound on input-perturbation sensitivity and use controlled simulations to attribute gains over a randomized baseline to the anchor rather than recursion or added capacity. Benefits emerge when a nonlinear target structure is learnable at the available noise level and diminish for nearly linear targets or dominant noise. Across 23 benchmark datasets, LAIR-Net achieves the best average rank among eight randomized networks and twelve conventional models, with relative performance associated with the same nonlinear-structure and noise quantities identified in simulation.
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Machine Learning (Statistics)

PSI-SINDy: Post-Selection Inference for Sparse Identification of Nonlinear Dynamics

Sparse identification of nonlinear dynamics (SINDy) is a data-driven framework for discovering governing dynamics from time-series data by identifying a sparse subset of candidate dynamical terms from a prespecified library. In this work, we develop a statistical inference framework for quantifying the reliability of dynamical terms selected by SINDy through hypothesis tests and confidence intervals. A key difficulty is that using the same noisy trajectory for both selecting dynamical terms and assessing their statistical significance can introduce selection bias. Post-selection inference provides a principled framework for addressing such bias, and we propose PSI-SINDy, a post-selection inference method tailored to SINDy. Direct application of existing post-selection inference techniques is challenging because SINDy involves measurement error in the candidate terms and shared noise between the response and design. To address these challenges, PSI-SINDy uses data thinning to decompose a single observed trajectory into four mutually independent views with distinct roles in selection and inference. This construction enables inference for selected dynamical terms while accounting not only for selection bias but also for measurement-error and shared noise effects. We establish the theoretical validity of PSI-SINDy under stated conditions and evaluate its performance through numerical experiments on simulated and experimental dynamical-system data.
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All authors Ashraful Islam, Shuichi Nishino, Tomohiro Shiraishi, Ichiro Takeuchi

Machine Learning (Statistics) · Cross-listed from cs.LG

Rare Gate Disagreements Can Limit Plasticity: When Gradient Flow Mispredicts Finite-Batch SGD

Population gradient flow is a common tool for reasoning about how neural networks adapt, including after pretraining. We show that it can mispredict finite-batch stochastic gradient descent (SGD) qualitatively, and we trace the discrepancy to a specific mechanism. In a two-unit ReLU regression, a source task drives the two neurons toward positive proportionality and a target task rewards separating them. After source training for time $T$, gradient flow recovers on the target in time linear in $T$. Online SGD with batch size $b$ and step size $\eta$ in both phases instead fails with high probability throughout a horizon of order $e^{c/\eta}$ once $T \gtrsim \log(b/\eta)$, uniformly on an explicit set of initializations with Gaussian probability above one percent. For each fixed $T$, small-step SGD still recovers, so the failure requires the joint limit of small steps and long pretraining. At the target clone, the population instability is carried entirely by inputs on which the two ReLU gates disagree. For units at angle $\delta$ these inputs form a wedge of probability $\delta/\pi$, and weight decay shrinks the angle exponentially during pretraining. On every other input both units receive the same random linear update, which contracts their separation in conditional expectation. Bounding the cumulative probability of sampling the wedge along the exact online recursion, without a diffusion approximation, shows that recovery with fixed probability from an identical source-gradient-flow checkpoint, within $e^{c/\eta}$ updates, requires $Nb \gtrsim e^{\lambda T}$ target samples and batch size $b \gtrsim \eta e^{\lambda T}$, where $N$ counts updates and $\lambda$ is the weight decay. In simulations, recovery is approximately a function of the disagreement budget $b\delta/\eta$ and saturates in the horizon.
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All authors Ruoyu Zhao, Mingxuan Zhang, Jianbo Dai, Jiaqi Wu, Chenyu Zhu, Tong Che

Machine Learning (Statistics)

Feature Space Adaptation for Effortless Gaussian Process Flows

Outside the linear-Gaussian regime, conditional sampling from Gaussian processes (GPs) is challenging. Recent methods such as FlowGP (Moss et al., (2026)) can condition on arbitrary non-linear and non-Gaussian statements, but at considerable cost: an expensive iterative and high-dimensional diffusion that requires hand-specified kernel hyperparameters. In this paper, we alleviate two significant drawbacks of FlowGP by (1) introducing kernel approximations that enable scaling to high-resolution domains and (2) proposing a way to obtain the marginal likelihood by measuring the work needed to steer the diffusion towards conditioning statements. We enable, for the first time, hyperparameter optimisation within FlowGP and demonstrate our approach on probabilistic downscaling from areal summary statistics, PDE solution inference on irregular domains, and recovery of sea level anomaly fields from non-Gaussian satellite observations.
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All authors Thomas Cowperthwaite, Louis Sharrock, Lachlan Astfalck, Henry Moss

Machine Learning (Statistics)

Beyond Distributional Fidelity: Causal-Penalized Diffusion for Synthetic Tabular Data

Synthetic tabular generators are commonly optimized for distributional fidelity, but statistical similarity alone does not guarantee preservation of causal effects. In this paper, we study whether causal fidelity can be improved directly within a fully generative tabular model. Causal Fidelity is defined with respect to a target estimand as the discrepancy between inferential distributions obtained from real and synthetic data, and theoretical results show that high statistical fidelity does not generally imply high causal fidelity. We then propose a causal-fidelity-aware training framework which adds a causal discrepancy penalty to the generative objective. The framework is instantiated with a causal-penalized TabDDPM and optimized using an on-policy score-function estimator. We further establish conditions under which causal regularization improves expected causal fidelity. Experiments across diverse treatment-effect simulations and two benchmark datasets evaluate the ability of our method to improve causal fidelity while preserving competitive statistical fidelity.
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All authors Lan Tao, Yongxian He, Shirong Xu, Yidong Ouyang, Guang Cheng

Machine Learning (Statistics) · Cross-listed from math.ST

Sequential Conditional Independence Testing with Machine Learning Models

Conditional independence testing is a ubiquitous problem in scientific discovery. The widely employed model-X assumption shifts the modelling burden from the dependence of the output on the inputs to the dependencies within the inputs. Log-optimal e-variables have been studied in this setting, but it remains unclear how to incorporate machine learning models into their design. Other approaches test exchangeability directly, yielding an e-variable with lower power in theory but, surprisingly, higher power in practice. We explain this phenomenon by decomposing the error into null enlargement, approximation, and estimation error. The decomposition shows that GRO e-variable estimates can be beaten because of their worse approximation and estimation errors, and we explore intermediate null hypotheses between model-X conditional independence and exchangeability to reduce these errors. Moreover, the model-X assumption often only holds up to an estimation error, invalidating exact type-I error guarantees. We provide estimation error bounds that accommodate triple robustness results, achieving fast convergence rates.
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All authors Angel Reyero-Lobo, Michele Meziu, Sebastian Uriel Arias, Peter Grünwald

Machine Learning (Statistics) · Cross-listed from cs.LG

From Geometry to Generalization: Why Row Normalization Can Beat Adam and Muon

Different optimizers can fit the same training data while selecting classifiers with substantially different geometries, but whether this difference provably affects population performance remains unclear. We show that row-wise normalization can achieve strictly higher population accuracy than full-batch Adam, a proxy for random-reshuffling Adam, and exact-SVD Muon in high-dimensional multiclass classification. Under an isotropic Gaussian-cloud data model, this advantage arises because row normalization's class-wise Euclidean geometry asymptotically preserves the population decision-boundary directions, whereas Adam's coordinate-wise geometry and Muon's spectral geometry introduce nonvanishing distortions. Beyond isotropy, the advantage persists for full-batch training on class means with independently oriented class-mean and test-noise covariances. It holds for power-law spectra with class-mean exponent below one, even under heavily anisotropic test noise. When both covariances are diagonal and sufficiently close, the advantage over Adam can reverse, while applying the same random rotation to both restores it by changing only their alignment with Adam's coordinate axes. Synthetic and last-layer language-model experiments support the predicted advantage.
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Machine Learning (Statistics) · Cross-listed from stat.ME

Regularized Small Area Estimation with Graph Laplacian Benchmarking priors

Small area estimation (SAE) often requires both borrowing information across areas and benchmarking estimates to reliable aggregates. We develop a Bayesian framework that addresses these two objectives jointly through a new family of Benchmarking priors. The priors are induced by a benchmark-constrained regularization problem. The resulting family includes a Benchmarking Prior that incorporates the benchmarking restrictions without additional regularization across areas, and Single and Multi-View Laplacian Benchmarking Priors that introduce regularization through graph Laplacians constructed from area similarities based on external covariate information. For posterior computation under these degenerate priors, we develop tailored MCMC algorithms based on a reduced parameterization of the constraint space. We assess the proposed models using a data-based simulation and apply the framework to estimate Average Household Size (AHS) at the municipality level in Colombia in 2025. In this application, graph-based regularization improves model performance, with the Multi-View models generally producing more precise municipality-level estimates.
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Machine Learning (Statistics) · Cross-listed from cs.AI

When Lower Reconstruction Loss Hurts: Distributionally Robust Refinement for Low-Bit LLM Quantization

Weight-only post-training quantization (PTQ) relies heavily on reconstruction loss minimization to preserve model quality at low precision. We show that the weights favored by minimizing this loss need not yield better model performance on new tasks. In fact, we find that lower reconstruction loss can even degrade model performance on the same calibration data. Our analysis further shows that weights with lower reconstruction loss on calibration data can have higher loss than other weights when the distribution of input activations changes. Motivated by these observations and our analysis, we propose Distributionally Robust Quantization (DRQ), a post-hoc refinement process that minimizes worst-case reconstruction loss over a constrained set of input activation distributions. DRQ refines the integer codes representing quantized weights within the existing quantization grid, keeping quantization parameters and inference operators unchanged. Extensive experiments show that DRQ improves models quantized by six representative PTQ methods, including AWQ, GPTQ, and ParoQuant, and delivers gains across both dense and mixture-of-experts large language models. These results establish DRQ as a general post-hoc refinement framework for weight-only PTQ, achieving better downstream performance without adding inference overhead.
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All authors Yanlong Zhao, Xiaoyuan Cheng, Huihang Liu, Baihua He, Xinyu Zhang, Harrison Bo Hua Zhu, Wenlong Chen, Li Zeng, Zhuo Sun

Machine Learning (Statistics) · Cross-listed from cs.DS

Tight Bounds for Equivalence Testing with Non-Adaptive Conditional Samples

We study distribution testing with access to non-adaptive conditional samples. Specifically, we give tight bounds for equivalence testing, determining whether two unknown distributions are equal to or $\varepsilon$-far from each other in total variation distance. Our algorithm and lower bound show that $\tilde \Theta\left(\frac{\log n}{\varepsilon^2}\right)$ queries are necessary and sufficient for this problem. These results demonstrate that the complexity of uniformity, identity, and equivalence testing with non-adaptive conditional samples are all $\tilde \Theta(\log n)$.
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Machine Learning (Statistics)

Accelerating Non-Smooth and Heavy-Tailed Sampling

Anchored Langevin dynamics (ALD) is useful for non-smooth sampling where the density of the target distribution is possibly non-differentiable and heavy-tailed; reflected anchored Langevin dynamics (RALD) can sample possibly non-differentiable target density on a constrained domain. In this paper, we propose and study non-reversible anchored Langevin dynamics (NALD) for sampling possibly non-differentiable and heavy-tailed target density in the Euclidean space and the non-reversible reflected anchored Langevin dynamics (NRALD) for sampling possibly non-differentiable target density in the constrained space. Our construction adds a circulation drift generated by a possibly state-dependent divergence-free skew-symmetric matrix field and a stream potential. It preserves the target distribution without requiring derivatives of target density, admits a random-time-change representation, and applies both on the whole Euclidean space and on bounded domains with normal reflection. By breaking reversibility, we show that NALD and NRALD can converge to their target distributions faster than their reversible counterparts via finite-time non-asymptotic convergence analysis, a large deviations analysis and asymptotic variance reduction. Numerical experiments demonstrate the efficiency of the proposed algorithms.
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All authors Pervez Ali, Xiaoyu Wang, Yingli Wang, Lingjiong Zhu

Machine Learning (Statistics)

A General $\widetilde{\Omega}(\sqrt{T \gamma_T})$ Lower Bound for Kernel Bandits

The kernel bandit problem consists of sequentially optimizing an unknown function with noisy feedback, where the function has bounded norm in a given Reproducing Kernel Hilbert Space (RKHS). A central quantity in the regret analysis of kernel bandits is the maximum information gain $\gamma_T$. In particular, the best existing upper bounds scale as $\sqrt{T\gamma_T}$ up to log factors, and nearly-matching lower bounds have been derived for specific kernels such as squared exponential and Matérn. However, lower bounds for general kernels are lacking, thus making it unclear in what generality the upper bounds are near-optimal. In this paper, we establish a general $\Omega(\sqrt{T\gamma_T/\log T})$ minimax regret lower bound for non-constant continuous kernels on compact domains, establishing near-optimality (within log factors) in a very general sense. We show that the log factor appearing in this bound is unavoidable in general, but that it can be removed under certain conditions. Among other things, our findings imply that the minimax-optimal scaling is exactly $\Theta(\sqrt{T\gamma_T})$ (i.e., within constant factors) for the Matérn-$\nu$ kernel with $\nu \in (0,2)$, $\gamma$-exponential kernel with $\gamma \in (0,2)$, and certain piecewise-polynomial kernels.
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