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Monday 31 August

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

Confounding Masquerading as Improvement: A Systematic Evaluation of Offline Reinforcement Learning for Stroke Antithrombotic Treatment in a 129,000-Patient Registry

Recent offline reinforcement learning (RL) studies report policies that outperform physician decisions on clinical outcomes. We conduct a systematic, partially crossed evaluation of five offline RL algorithm families and 14 reward designs in 44,894 post-2018 acute ischemic stroke patients from a nationwide registry (N = 129,033). Standard Fitted Q-Evaluation (FQE) yields an apparent policy-improvement estimate of +0.0069; adding an Early Neurological Deterioration penalty increases it to +0.0101. We identify reward-embedded confounding, in which a proxy terminal reward encodes baseline severity and prognosis as well as treatment efficacy. A 2 x 2 factorial analysis finds that terminal reward confounding accounts for 218.6% of the observed signal change, so its removal overshoots the null. After DML-inspired GBM reward residualization, the FQE estimate attenuates to +0.0033 (p = 0.132), and full deconfounding yields +0.0025 (p = 0.291). FQE-based diagnostics, T-learner analyses, and direct recurrence analyses converge away from a clinically meaningful aggregate improvement. A 1-year mRS factorial analysis replicates the attenuation. We provide an empirically motivated six-step evaluation checklist. NIHSS-stratified heterogeneity is hypothesis-generating for prospective trial design; hospital-level disagreement does not persist after full reward deconfounding.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Learning PDE Time-Stepping with Neural Cellular Automata

Classical numerical solvers for partial differential equations (PDEs) are computationally expensive to solve repeatedly across varying initial conditions, motivating the need for learned surrogates. In this paper, we propose a trainable Neural Cellular Automata (NCA) based surrogate model for learning long time PDE dynamics. Rather than mapping an entire initial field to a full trajectory in one shot, our proposed model learns a small, local, homogeneous update rule that is applied identically and repeatedly at every grid cell, mirroring the locality of differential operators. We benchmark this framework against three baselines: PDE - Net, a modified physics-informed neural network (PINN), and a Fourier Neural Operator (FNO), on five canonical PDEs (heat, advection, Burgers, Allen - Cahn, and Fisher - KPP), evaluated at temporal domain two times beyond the training temporal domain. The proposed model achieves the lowest long-horizon relative errors on the majority of the experiments.
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Machine Learning (Statistics)

Estimating Population-Risk Curves Along Nonconvex Gradient Flows from the Training Sample

We estimate the conditional population-risk curve of a realized smooth nonconvex gradient flow from the training sample. Flow approximate leave-one-out (Flow-ALO) propagates a deletion response and evaluates omitted observations at approximate deleted paths. The risk-curve error decomposes into response approximation, exact-LOO fluctuation, and deletion-to-full risk transfer. On each fixed finite horizon, bounded centered training-loss gradients, a one-sided Hessian lower bound, locally Lipschitz Hessians, and a strict tube-closure condition yield an explicit $(n-1)^{-2}$ bound for the deletion-response error. Bounded evaluation-loss gradients transfer the deletion-response bound to the score without requiring the Hessian to be invertible. Direct first-order jackknife cancellation and exact-LOO concentration control deletion-to-full risk transfer and fluctuation, respectively, completing recovery of the conditional population-risk curve. For bounded smooth two-layer mean-field networks training both layers, the score-error bound is uniform in width.
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Machine Learning (Statistics)

Fairness in multi-class multi-group classification problems via contextial coherent risk measures

We propose a new design of fair classifiers for multi-class classification problems in the presence of vector-valued sensitive attributes. In that scenario each sensitive attribute has multiple values and forms several groups relevant to the fairness consideration. Naturally those groups are overlapping and one should also analyze the interaction of factors. Additionally, the decision makers aided by the classification should not violate individual rights at the expense of satisfying fairness metrics at the group level. We propose an approach using the theory and methods of coherent measures of risk aiming at resolving the fairness challenges. Further, we propose a specialized numerical method for solving the resulting optimization problem. The method scales well with the increase of the number of observations. Additionally, we note that the obtained classifier is robust with respect to corrupted data or to situation when data is scarce. We demonstrate the advantages of the proposed framework in comparison to the support-vector machine framework and other methods handling fairness.
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Sunday 30 August

Machine Learning (Statistics) · Cross-listed from stat.ME

Robust K-means Clustering using the Density Power Divergence Measure

We introduce a robust clustering method, MK-means DPD, that estimates cluster centers and covariance matrices using density power divergence (DPD) measures combined with Mahalanobis distance, making it resistant to outliers and adaptable to heterogeneous, elliptical clusters, unlike the classical K-means algorithm. Since Mahalanobis distance-based K-means lacks a general convergence guarantee, we further introduce a convergent variant, Density-Consistent MK-means DPD (DC-MK-means DPD), which redefines the cluster assignment step in terms of a pointwise DPD loss. We prove a formal theorem establishing that the resulting algorithm converges in a finite number of steps. We also propose two new robust internal evaluation indices, a Median Davies-Bouldin Index and a Trimmed Calinski-Harabasz Index, to ensure that performance comparisons are not themselves distorted by outliers. The efficacy of the proposed methods is demonstrated on simulated data, showing superiority over existing methods, and on two real datasets: Iris data, to identify similar species, and COVID-19 case fatality rate and infection rate data for countries worldwide, examining the resulting clusters' geographic and socio-economic patterns.
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Machine Learning (Statistics)

Learning Representations through Token Prediction: Geometry, Approximation, and Downstream Guarantees

Token prediction is a central pre-training objective for modern language models. Despite its empirical success, why token prediction learns broadly useful representations remains incompletely understood. We develop a statistical framework connecting token prediction with representation geometry, encoder approximation, and downstream performance. Under a softmax prediction head, we show that accurate token prediction organizes token embeddings according to similarities between the distributions of contexts in which different token types appear, as measured by Hellinger distance, with explicit errors governed by prediction accuracy and token frequency. Meanwhile, the contextual representation provides a low-dimensional coordinate for the conditional distribution of the target token relative to these embeddings. We further introduce a self-consistency principle showing that repeated applications of a shared representation block can progressively refine the contextual representation without introducing additional block parameters. Among representations with the same prediction accuracy, this recurrent construction favors those that can be stably reconstructed from their contexts. Finally, we establish downstream guarantees for token generation, token community recovery, and classification by a linear probe, showing how prediction accuracy and recovered geometry translate into performance beyond the pre-training objective. Together, these results explain how the simple objective of predicting tokens can recover semantic geometry and produce broadly useful representations. A controlled simulation illustrates the theoretical mechanisms.
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Machine Learning (Statistics)

A Deep Latent Variable Framework for Jointly Modeling Missingness, Measurement Error, and Heterogeneity

Missing data, measurement error, and population heterogeneity are pervasive challenges in analyzing data arising from modern observational studies and machine learning applications. Although these problems frequently coexist and interact, they are often treated separately in existing works. We propose a unified probabilistic framework that jointly addresses these issues utilizing deep latent variable representation. The proposed method integrates a novel hierarchical tree-routed variational autoencoder with pattern-aware latent representations and calibration-based denoising. The framework accommodates missing data mechanisms, including MCAR, MAR, and MNAR, while simultaneously learning subgroup-specific and globally shared latent structure. The introduced reconvergent routing mechanism enables selective parameters to be shared across related subpopulations, which offers flexibility as well as improved statistical efficiency. Simulation studies demonstrate substantial improvements over existing deep generative imputation approaches under complex heterogeneous missingness and measurement-error settings. The proposed framework provides a principled approach for learning from noisy and incomplete data in modern healthcare and other high-dimensional applications.
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All authors Yasin Khadem Charvadeh, Grace Y. Yi, Mithat Gönen, Pouya Faroughi

Machine Learning (Statistics)

Neural ODE enhanced linear mixed effect models for estimating complex association patterns of time-varying covariates with the marker trajectory

Longitudinal cohort studies produce repeated data that enable the assessment of time-varying association patterns between exposures and health outcomes. Classical linear mixed-effects models (LMMs) can accommodate a large variety of association patterns while accounting for the irregularly spaced, partially observed measurement. But they require the analyst to pre-specify the functional form linking the exposure history to the outcome. We propose the Neural ODE-LMM, which embeds a Neural Ordinary Differential Equation (Neural ODE) within the linear mixed-effects framework: a learned vector field encodes covariate trajectories into a continuous-time latent state that drives both the fixed- and random-effect design, while preserving the standard LMM observation model. This retains classical likelihood-based inference while learning complex, potentially cumulative, covariate effects flexibly. All parameters are estimated by maximising a penalised marginal likelihood. To quantify covariate effects, we introduce contrasts of counterfactual predictions that compare the expected outcome under alternative covariate trajectories with variance estimated via the delta method. In simulations, the model recovers both instantaneous and cumulative-burden effects without prior specification of the functional form. Applied to the Trois-Cités (3C) cohort, a population-based study of 7{,}324 participants, the method reveals trajectory-dependent associations of BMI and fasting glucose with cognitive decline.
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All authors Zhe Aurore Li, Quentin Clairon, Cécilia Samieri, Rodolphe Thiébaut, Mélanie Prague, Cécile Proust-Lima

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

Which LLM for Which Work? Budgeted Model Allocation under Uncertain Evaluation

A company with a fixed artificial intelligence (AI) budget must decide which large language model (LLM) handles each recurring workload. What it lacks is the quality table, how well each model performs on each workload. Given that table, the decision is a multiple-choice knapsack problem and is routine to solve, so estimating it is the difficulty, and that estimation fails in two ways. Models are rarely compared on the same work, and the recorded score is usually a proxy rather than the outcome the company values. Causal and off-policy methods repair the first but condition on the second, while evaluator-validation methods estimate the second but stop short of the decision. Worse, buying more re-evaluation cannot settle the second: randomization governs which requests are scored, not how a score is produced, so the table stays uncertain however much evaluation is purchased. Yet the deployment decision may still be determined even when the table is not. We therefore ask whether one assignment stays optimal across every quality table consistent with the evidence. For the fixed-budget problem, this admits an exact two-solve certificate: solve once at the estimated table and once at a least-favourable table. Agreement certifies the assignment; disagreement identifies the model-workload pairs where further evidence can matter. We propose CASE (causal active sequential experimentation), which targets evaluation to those pairs and repeats the test as evidence accumulates. On a production log, the measurement failure is the larger of the two: correcting assignment exactly still leaves most of the loss, and randomized re-evaluation does not remove it. In our experiments, the available evidence often does not determine the assignment. On paid software tasks, better information about model quality yields more savings than further optimization of the assignment on the same estimates.
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Machine Learning (Statistics) · Cross-listed from math.OC

Online Gate-Driven Flow Control in Resin Transfer Moulding Using a Neural-Network Surrogate

In resin transfer moulding, complete saturation of the fibre preform is necessary before the resin front reaches the outlet vent(s), to prevent dry-spot formation. In practice, the flow front rarely advances uniformly due to race-tracking effects. We propose a combined estimation and control strategy to address this issue. We use pressure-sensor data collected during filling to estimate the unknown race-tracking strengths via an iterated extended Kalman filter, and to simultaneously optimise auxiliary gate pressures to prevent the resin from arriving at the vent before complete saturation occurs. To make this approach feasible in real time, we replace the expensive finite element-control volume model with neural network surrogate models. The Bayesian approximation error framework is used to account for the discrepancy between the surrogates and the original model. To make the training of the surrogates feasible with time-dependent control actions, we prove that the flow-front geometry depends only on the time-averaged gate pressures. We demonstrate the methodology on a representative forked geometry, showing that the combined estimation-and-control framework can substantially reduce the number of unfilled nodes at the end of filling compared with an uncontrolled baseline. However, the level of improvement depends strongly on the location and number of auxiliary gates.
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All authors Nicholas Wright, Oliver Maclaren, Piaras Kelly, Suresh Advani, Ruanui Nicholson

Saturday 29 August

Machine Learning (Statistics)

Optimal Recovery Meets Bayesian Learning: Where Worst-Case Bounds Pay Off

Worst-case Optimal Recovery (OR) and Bayesian learning describe the same Gaussian-quadratic-Hilbert problems in two vocabularies. We sharpen the correspondence - the radius of information equals a nugget-optimized GP posterior variance and is attained by the posterior mean at a closed-form balance nugget - and measure, inside three published Bayesian systems, where the worst-case side pays. The ledger is two-sided: the losses instruct as much as the wins. Morozov calibration tracks a test-access oracle within $1.00$-$1.19\times$ where $\sigma$-blind rules fail, is $4.9$-$6.3\times$ more reproducible across noise draws ($p=0.002$-$0.004$), and is the only deployable rule whose selection survives a change of backend ($1.36\times$ against $12$-$30\times$ for the released weight, ML-II and GCV); tight certificates cover at the information-theoretic floor with no numerical slack. But on exchangeable data split-conformal beats the OR head on interval score, a water-filling prior adds nothing without an oracle noise hint, and under covariate shift the OR band keeps coverage on every dataset yet loses interval score to split-conformal, and to a feature-free constant band, on most cells; what pays is not shift but shift on a learnable target, which a training-free audit statistic predicts before any model is fitted. In Bayesian optimization the certified width is a validity floor whose scalar inflation we prove inert under a checkable margin condition and check at every step. Inertness is graded, not binary, and in the size of the inflation as much as in the objective: $\kappa{=}2$ is inert wherever $\kappa{=}5$ is and on more cells besides, while $\kappa{=}5$ moves half the Ackley seeds and every Griewank seed. Exploration is a shape problem, not a scale one. The design rule: match the guarantee tool to the data regime, and audit the regime first.
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Machine Learning (Statistics)

Deciding When to Decide: Testing Operational Suboptimality Under Distributional Shift

Deployed decisions are often optimized once and retained because updates impose operational, regulatory, or switching costs. As operating conditions change, when should such decisions be re-optimized? We study this question for stochastic optimization when the objective's functional form is known but the decision maker's trade-offs are encoded by an unknown preference parameter. Standard distribution-shift tests are poorly aligned with this goal: they can flag detectable yet decision-irrelevant changes without determining whether the incumbent decision has become materially suboptimal. We propose RADAR (Regret-based Assessment of Decision Adequacy and Risk), a decision-focused framework that uses inverse optimization to infer latent preferences and tests the deployed decision's optimality gap under the current distribution. By targeting regret, RADAR ignores decision-irrelevant shifts while detecting changes that warrant re-optimization. We develop two-sample and sequential changepoint procedures and establish asymptotic guarantees for Type-I error and power. Across synthetic optimization problems, a semi-synthetic capacity allocation task, and police-zone planning, RADAR more reliably distinguishes harmful from harmless shifts than decision-agnostic alternatives.
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Machine Learning (Statistics) · Cross-listed from cs.LG

SS-ESOAP: Self-Scaled Adaptive Preconditioning for Physics-Informed Learning

Physics-informed neural networks (PINNs) often face ill-conditioned objectives that limit high-accuracy training. Dense quasi-Newton methods improve local conditioning but require expensive optimizer state, while Kronecker-factored methods such as SOAP scale to larger networks but rely on periodic basis updates. We introduce \method, which augments SOAP-style preconditioning with a scalar secant-energy correction adapted to Kronecker geometry and an adaptive basis update followed by variance-state downscaling. We characterize the directional secant matching induced by the scalar correction and give a bound on variance-state mismatch across basis changes. Across eight PDE benchmarks, \method attains the lowest final residual on six, including Burgers and Boussinesq, while SOAP-family baselines perform better on Gray-Scott and Ginzburg-Landau. On Boussinesq, \method reaches a residual of $10^{-5}$ in 4.1 hours with 9.2 GB peak VRAM, while Adam does not reach this target within 14 hours. Three-seed $L^2$ and $H^1$ errors on four representative PDEs support the link between lower residuals and improved solution accuracy. These results position \method as a scalable option for stiff, high-accuracy physics-informed training, rather than a uniform replacement for existing optimizers.
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All authors Guangyuan Wang, Mads Toftrup, Sebastian Loeschcke, Yixuan Wang, Anima Anandkumar

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

Content Exploration Beyond the Feed: Creator Supply and the Shared Corpus

Industrial recommenders give new content initial views through budgeted exploration, then use early performance to decide further delivery. On many short-video platforms, exploration is the primary way new videos reach viewers. Viewer-side tests measure consumption; the published budget objectives we review omit creator response. We analyze four experiments on a major short-video platform. An eight-month creator ablation finds production exploration raises videos posted per creator by 8.55% and creators posting at least once by 7.10% relative to a minimal floor. A budget-matched reallocation raises creator participation with no detectable short-run viewer-side change. A year-long viewer ablation finds 1.74% more video views but 2.13% less view time. A delivered view creates immediate feed value, can trigger organic take-up, and can induce creator supply. Take-up and supply replenish a shared corpus, creating two measurement limits. Viewer-side A/B tests cancel the corpus effect when both arms consume the same corpus. Giving each arm its own corpus avoids cancellation, but turnover still controls the horizon. If the corpus turns over at rate w per posting cycle, a t-cycle experiment expresses at most wt of the eventual corpus effect. More users reduce noise but do not speed turnover. Before the corpus path visibly bends, data cannot distinguish a modest fast effect from an arbitrarily large slow one, so a valid confidence interval may lack a finite upper endpoint. As predicted, the three-week co-diverted experiment cannot determine the sign of the eventual corpus effect. Within the window, it identifies the direct feed effect, and an exploratory cohort analysis detects organic lift after exploration ends. The experiments establish a positive creator response, measure the gross corpus flow visible within three weeks, and show the design and duration needed to identify total value.
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All authors Yuanyuan Shen, Yiren Yan, Wenjie Li, Chunhui Zhu

Machine Learning (Statistics) · Cross-listed from stat.CO

Signed random Fourier features for fast density estimation with indefinite kernels

Kernel density estimation (KDE) is one of the most fundamental statistical estimators of density functions. Its direct implementation on a dataset of $N$ points incurs an $\mathcal{O}(N^{2})$ computational cost, which is prohibitive for large-scale datasets. Kernel approximation techniques can be applied to bring the computational cost down to $\mathcal{O}(N)$. The random Fourier features (RFF) technique, based on sampling from the spectral density of the kernel function, has become popular to speed up kernel estimators for machine learning applications. Unfortunately, it is restricted to positive definite kernels, while the majority of kernel functions popular in KDE, such as the parabolic kernel, do not satisfy this property. To overcome this limitation, this article introduces the signed random Fourier features (SRFF) technique. It is a generalization of RFF compatible with indefinite kernels whose inverse Fourier transform is absolutely integrable. The motivation for introducing this method is to speed up KDE in the case of multivariate compact kernels, which are generally not positive definite. We detail how to implement SRFF for both product kernels and isotropic kernels. For the class of Kuttner-Golubov kernels $K(\boldsymbol{x}_{i},\boldsymbol{x}_{j})=(1-\left\Vert \boldsymbol{x}_{i}-\boldsymbol{x}_{j}\right\Vert ^{\alpha})^{\beta}\mathbf{1}_{\{\left\Vert \boldsymbol{x}_{i}-\boldsymbol{x}_{j}\right\Vert \leq1\}}$ where $\boldsymbol{x}_{i}\in\mathbb{R}^{d}$, $\boldsymbol{x}_{j}\in\mathbb{R}^{d}$, $\alpha>0$, $\beta>0$, which includes the triangular, parabolic, biweight, triweight, and other kernel functions of interest for KDE as particular examples, we provide an explicit acceptance-rejection algorithm to sample from its signed spectral density. Our numerical tests on a dataset of one million points confirm the computational efficiency and accuracy of SRFF for large-scale KDE.
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Machine Learning (Statistics)

Uniform Statistical Convergence of Empirical Sinkhorn Potentials with Exponential and Polynomial Dependence on the Regularization Parameter

We study the empirical Sinkhorn estimator of the entropic optimal transport potentials under the uniform loss. Since the potentials are only unique up to additive constants, we measure the error using the quotient supremum norm, defined as $d_\infty([u],[v]) = \inf_{a\in\mathbb{R}}\|u-v-a\|_\infty$. For a fixed regularization parameter $\varepsilon>0$, we establish a non-asymptotic statistical rate of $n^{-1/2}$. This is achieved by combining the Birkhoff-Hopf contraction theorem with entropy bounds on normalized kernel sections. However, the constant in this bound grows exponentially with $1/\epsilon$. To improve this, we isolate geometric conditions under which the empirical estimator maintains the $n^{-1/2}$ rate but features polynomial dependence on $1/\varepsilon$. The key requirement is a polynomial residual-stability estimate for the population Sinkhorn map. We provide sufficient criteria for this, including a polynomial contraction property and a local inverse estimate. Furthermore, we introduce two rigorously verifiable model classes an $\varepsilon$-weak residual-interaction class obtained after separable centering and another based on connected tight-edge graphs for fixed discrete costs where the polynomial rate is guaranteed without relying on abstract resolvent assumptions. Finally, we establish matching minimax lower bounds demonstrating that the $\varepsilon n^{-1/2}$ rate cannot be uniformly improved in the bounded-interaction regime.
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Machine Learning (Statistics) · Cross-listed from cs.LG

PathGuide: Dynamic Classifier-Free Guidance via On-Policy Transport Alignment

While modern generative models excel at modeling complex data, precise inference-time control in conditional generation remains a critical challenge. Classifier-free guidance (CFG) is a primary mechanism for such control, yet it is typically treated as a static tuning parameter. In flow-based models, however, the guidance scale fundamentally dictates the velocity field and the resulting probability path, making guidance selection a dynamic path-optimization problem. We introduce PathGuide, a framework that reformulates scalar CFG selection as an on-policy transport problem. Leveraging the weak form of the continuity equation, we derive a selection criterion with a direct path-correctness interpretation: we prove that if the guided field is weakly equivalent to the exact conditional field along the generated rollout, the sampler's path coincides with the target conditional law. For scalar CFG, this criterion yields a strictly quadratic local objective with an efficient, closed-form selector for each solver interval. PathGuide enables optimal guidance scales to be computed and used online during generation or fitted offline as a reusable piecewise-constant schedule. We validate our method on low-resolution image manifolds and controlled settings across various continuous-time flow constructions, demonstrating that this transport-based selector improves path alignment and sample fidelity over both fixed and state-of-the-art adaptive guidance baselines.
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Machine Learning (Statistics)

Sharp Restricted Isometry Thresholds for Global Minima of Rank-Restricted Matrix LASSO

We determine the sharp restricted isometry threshold for recovery at global minima of the rank-restricted matrix LASSO. For target rank $r_{\star}$, if the rank-$k$ RIP constant satisfies $\delta<\delta_{\mathrm{sharp}}(k/r_{\star})$, where $\delta_{\mathrm{sharp}}(t)=t/(4-t)$ for $0<t<4/3$ and $\delta_{\mathrm{sharp}}(t)=\sqrt{(t-1)/t}$ for $t\ge4/3$, then every global minimizer has Frobenius error $\lesssim\sqrt{r_{\star}}\lambda$ for all $\lambda\gtrsim\|\mathcal{A}^{*}(\xi)\|_{\mathrm{op}}$ and at every search rank $r\ge r_{\star}$. The constants depend only on the RIP constant and $t=k/r_{\star}$, and in particular are independent of the search rank. When the rank restriction is inactive, the result specializes to the ordinary convex matrix LASSO. We also obtain the analogous results for sparsity-restricted vector LASSO. Conversely, we show that the threshold $\delta<\delta_{\mathrm{sharp}}(k/r_{\star})$ cannot be improved, due to the existence of counterexamples whose global minimizers fail to recover the ground truth.
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Machine Learning (Statistics)

Jigsaw-CRL: Recovering Global Latent Causal Order from Fragmented Multi-Client Interventions

Causal representation learning (CRL) aims to recover latent causal variables and their structural relations from high-dimensional observations. Existing CRL methods typically assume that all environments are defined over the same latent variables, or at least share a common latent representation space. We study a fragmented multi-client setting, where multiple clients interact with the same global latent causal system but each client only accesses and intervenes on a subset of the latent variables. In this regime, marginalizing unused latent variables induces bidirected edges, so a single client no longer admits a node-wise latent causal graph, and the global latent causal order must be recovered by assembling client-specific structural fragments. We propose Jigsaw-CRL, a framework for recovering global latent causal order from such fragmented interventions. Under soft interventions, differences between precision matrices across environments exhibit a low-rank structure governed by latent ancestor relations. This enables recovery, for each client, of a block partition, the corresponding block-level ancestral order, and latent subspaces, and then assembly of these fragments into the global node-level latent causal order. We establish identifiability guarantees, develop practical algorithms, and validate the framework on synthetic data. Our codes are available on https://anonymous.4open.science/r/code-for-Jigsaw-CRL-7B26
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Friday 28 August

Machine Learning (Statistics)

The information geometry of product-reference discrete diffusion: Interaction growth complexity and optimal scheduling

We study a class of product-reference diffusion algorithms for sampling from a discrete distribution. We show that their sampling performance can be characterized using a path-based measure of data geometry that we call the interaction growth complexity (IGC). We show that a bivariate IGC kernel gives an exact representation of both the KL discretization error and a simple one-step upper bound. The simpler univariate IGC density can be used to study the effect of stepsize choices on the iteration complexity required to obtain $\epsilon$-accurate samples in KL divergence. Samplers that traverse the path with equi-spaced steps in log-squared-reliability-odds have performance that depends on the aggregate IGC mass, whereas refined choices of stepsizes have a lower complexity depending on a square-root functional. In the fine-grid limit, both of these characterizations become sharp. We also allow general product reference distributions and show that the reference law can substantially reshape the IGC profile and the resulting sampling complexity; in particular, references far from both the uniform and the data marginals can yield dimension-dependent improvements. Finally, the aggregate IGC mass admits bounds in terms of total correlation and dual total correlation, thereby connecting the pathwise geometry to classical measures of multivariate dependence.
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Machine Learning (Statistics) · Cross-listed from quant-ph

Representation Learning with Quantum Signal Processing

Representation learning begins when training changes the features that define similarity between data. A frozen-kernel model only reweights a fixed geometry. We establish quantum signal processing (QSP) as a solvable quantum model of the representation-learning regime. At arbitrary depth, we compute the exact mean and variance of its quantum neural tangent kernel, revealing an input-dependent angular geometry whose diagonal remains non-self-averaging even when the underlying unitary approaches Haar randomness. We also prove a sparse-data guarantee for the full nonlinear gradient flow without freezing or ensemble-averaging the kernel: the realized dynamics converges to an integrable scalar flow with a time-dependent kernel closure and explicit convergence times. A finite-depth speed limit holds for every data set and trajectory. At higher data density, numerical results show coupled evolution beyond both the scalar and frozen-kernel descriptions. These results give a controlled theory of learned quantum data geometry with provable training dynamics beyond the frozen limit.
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Machine Learning (Statistics)

Quantitative Target Convergence and Uniform-in-Time Propagation of Chaos for Langevin-Regularized SVGD

We establish quantitative convergence to the target and uniform-in-time propagation of chaos for Langevin-regularized Stein variational gradient descent. The Stein interaction need not be small relative to the confining Langevin drift and does not generally yield a contractive particle coupling. At the mean-field level, the Stein and Langevin components dissipate the same relative entropy in the kernel-induced Stein and $2$-Wasserstein geometries, producing the squared kernel Stein discrepancy and relative Fisher information. Under a log-Sobolev inequality for the target, this yields exponential last-iterate convergence. We also derive a finite-particle entropy identity relative to the product target, giving exponential-in-time convergence of the empirical measure up to polynomial sampling errors. For propagation of chaos, we develop two complementary finite-time approaches. A synchronous coupling, combined with exponential moment estimates for the nonlinear mean-field diffusion, yields explicit single-exponential bounds in Wasserstein distance and kernel Stein discrepancy (KSD). Moving-product entropy gives joint-law relative entropy control relative to the evolving mean-field product law and, through entropy superadditivity and concentration, fixed-marginal relative entropy and total variation bounds and empirical KSD estimates. Under an additional $T_2$ inequality for the initial law, it also yields Wasserstein bounds. Combining these finite-time estimates with target convergence at a logarithmic cutoff time gives polynomial uniform-in-time propagation of chaos rates in expectation for empirical KSD and $W_2^2$, and for fixed-marginal total variation and $W_2^2$. All bounds control the last iterate in physical time. We also compare the two finite-time mechanisms and identify regimes in which each gives the sharper polynomial exponent.
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Machine Learning (Statistics) · Cross-listed from stat.ME

Learning a Size-Weight Frontier for Synthetic-Augmented Inference

Synthetic data can improve statistical inference when real data are scarce, but naively treating synthetic samples as real data can introduce bias and lead to unreliable inference. We develop a general framework for synthetic-augmented inference across a population of related tasks. It characterizes synthetic augmentation by the number of synthetic observations and their weight. Central to our framework is a size-weight frontier that specifies, for each weight, the largest synthetic sample size for which all smaller sizes attain the target task-marginal coverage. We estimate this frontier from historical tasks, and establish a finite-sample coverage guarantee simultaneously for all size-weight configurations on or below the estimated frontier. In experiments using large language model responses to augment opinion survey data, our procedure achieves target coverage and substantially narrows confidence intervals.
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Machine Learning (Statistics)

Learning between the peaks: sharp asymptotics for kernel ridge regression under power-law anisotropy

We study kernel ridge regression under anisotropic Gaussian data, where the input covariance decays as a power law with exponent $\alpha\geq 0$ for polynomial inner-product kernels. We derive asymptotically sharp expressions for the kernel spectrum and the generalization error in the polynomial high-dimensional regime $n=\Theta(d^\kappa)$, revealing how anisotropy reshapes the learning curves. For weak anisotropy ($0<\alpha<1$), the problem remains effectively high-dimensional and retains some features of the isotropic case, while departing from it in others: the variance still peaks at integer sample complexities $\kappa\in\mathbb{N}$, but these peaks are progressively damped as $\alpha$ grows; meanwhile, for targets strongly aligned with the data's principal directions, the bias drops at fractional sample complexities, decoupling the bias transitions from the interpolation peaks. For strong anisotropy ($\alpha > 1$), the effective dimension of the problem is constant, and the variance stops depending on sample size altogether, plateauing under ridgeless interpolation or vanishing at an explicit rate under fixed ridge penalty. The bias undergoes a sharp transition governed by the target's decay rate: below a threshold, learning is abrupt rather than gradual; above it, the bias decays as a power law that recovers the classical source and capacity rates. We finally specialize these results to single-index targets, showing how the alignment of the index with the data's principal directions determines the effect of anisotropy on learning. Together, our results clarify how the input geometry shapes the kernel features and fundamentally impacts its generalization properties.
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Machine Learning (Statistics) · Cross-listed from math.ST

Generalized Splines and Gaussian Processes

For finite-dimensional linear inverse problems where the variables are Gaussian, it is well-known that the minimum-mean-square error estimator takes the form of a regularized least-squares data fit. In this chapter, we show that this equivalence extends to a much broader infinite-dimensional setting where generalized splines take the role of linear regressors and generalized Gaussian processes on a nuclear space $S$ are the counterpart of Gaussian random vectors. The scope of this extension is of the same nature as the switch from the classic notion of function to that of a distribution, also known as a "generalized function." Our formalism involves a whitening/regularization operator $L: S\to S'$ whose continuous extension induces a native Hilbert space $H\subset S'$ that plays a central role in our characterization. The presentation is self-contained for the most part and remarkably general and powerful. It allows for the recovery of all known instances of such equivalences; in particular, the methods involving innovations and reproducing-kernel Hilbert spaces developed by Kailath and his students, and the mathematical correspondence between fractional splines and Mandelbrot's fractional Brownian motion (fractals), with the former being the optimal estimators of the latter. It also covers general Bayesian methods for the resolution of infinite-dimensional inverse problems.
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Machine Learning (Statistics)

Localizing Global Discrepancies: Marginal Contributions and Contextual Anomaly Detection

Global goodness-of-fit and discrepancy statistics can establish that a sample departs from a reference distribution without identifying which observations drive the departure. We develop a framework for this localization problem by assigning to each observation its conditional or marginal contribution across random statistical contexts. This connects resampling diagnostics and data valuation to projection theory and event-level anomaly detection. For symmetric statistics, fixed-size replacement is exactly equivalent to centered conditional localization. For U-statistics, the addition score equals the first Hoeffding/Hájek contribution; for smooth distributional functionals it is related at leading order to the influence function; and for unbiased known-background MMD it reduces exactly to the MMD witness. This viewpoint also yields more efficient estimators. Matched-context subtraction removes fluctuations unrelated to the observation, while for pairwise MMD the event-containing terms give a simple localizer. On the LHC Olympics anomaly-detection benchmark, the pair estimator converges to the direct empirical MMD witness with the predicted 1/(Rm^2) scaling, where m is batch size and R the number of batches. At m=1000 and R=5x106 it reaches correlation 0.9993 with essentially identical AUC. We also ask when context contains information beyond an event's own features. In a shared-latent toy model, the full single-event signal and background distributions are identical by construction, forcing isolated-event AUC=0.5. Discriminating information survives only in cross-event dependence induced by the shared latent parameter; the ensemble recovers this information, whereas an independent-latent control does not. This separates two roles of context: efficient localization of a global discrepancy and genuinely additional class information when the alternative contains shared structure.
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Machine Learning (Statistics)

I-FLOP: Fast Learning of Order and Parents from Interventional Data

We extend the FLOP (fast learning of order and parents) algorithm recently proposed by Wienöbst et al. (2026) from observational to interventional data. In particular, we use the interventional BIC score of Hauser and Bühlmann (2012), adapting it to be used with the iterative Cholesky-based score updates that are partly responsible for FLOP's speed. We show that, in the sample limit, I-FLOP recovers a DAG in the same interventional Markov equivalence class as the data-generating DAG. We compare I-FLOP to existing causal structure learning algorithms on real and simulated interventional data, where it performs favorably in terms of both performance and run time.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Performative Privacy: When Differential Privacy Maximizes Utility

Privacy-preserving learning is often motivated by the idea that protecting users' data can preserve trust and thus participation, improving utility in the long term. However, this claim has not been formalized so far. In parallel, performative learning provides a framework for studying learning systems whose deployment affects the data they later observe. In this work, we bring these two perspectives together and introduce performative privacy, where data leakage reduces future participation. We study a simple model where agents repeatedly contribute data for mean estimation but may leave the system when their data is leaked. Privacy is implemented through differentially private mechanisms, creating a trade-off between estimation noise and future participation. We show, through a theoretical study of the dynamics and numerical experiments, that a finite privacy budget can outperform non-private estimation in the long term when the feedback loop between leakage and participation is sufficiently strong. This provides first evidence that differential privacy can be optimal not only as a protection mechanism, but also from the perspective of long-term utility.
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Machine Learning (Statistics)

Conformal Risk-Averse Decision Making with Optimized Certainty Equivalent Risk Control

We study risk-averse decision making, in which an agent selects actions while being uncertain about the true system state. The risk is measured via optimized certainty equivalent (OCE) metrics, which generalize popular criteria such as mean-variance risk and conditional value-at-risk (CVaR). We characterize the optimal policy under known distributions, and show that it reduces to a prediction set-based solution for the CVaR. This provides an operational interpretation of conformal prediction-type prediction sets. For unknown distributions, we develop a data-driven calibration strategy, based on a synthetic model for the likelihood and held-out calibration data, yielding high-probability control of the OCE risk. The approach is evaluated on two wireless beamforming settings.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Generalized Gibbs Ensemble Weighting for Forecast Combination

Forecast combination is a reliable way to improve predictive performance when several forecasting models are available. Simple aggregation rules such as the mean, median, trimmed mean, inverse-loss weighting, and exponential weighting are often strong baselines, but their relative performance can vary across datasets, forecast horizons, deployment settings, and levels of disagreement among base forecasters. We develop Generalized Gibbs Ensemble Weighting (GGEW), a probabilistic framework that treats forecasting models as experts and assigns ensemble weights using a Gibbs-style exponential transformation of normalized predictive loss. The framework extends this basic weighting rule through numerical stabilization, diversity-aware score corrections, and online hyperparameter adaptation. GGEW produces a family of related methods, including Stable Gibbs weighting, Directional Gibbs-NCL, and Symmetric Gibbs-NCL. These variants share one core algorithm and differ only in the score used inside the exponential weighting rule. For sequential deployment, we adopt a UCB-style bandit mechanism, called online Local-UCB, to adapt the learning rate, diversity strength, and Gibbs variant without evaluating the full hyperparameter grid at every prediction step. We evaluate GGEW on official M4 competition forecast submissions and external rolling-origin deployment experiments using Monash Traffic Hourly, Electricity Hourly, and Solar Weekly datasets. Results suggest that Gibbs-style adaptive weighting is a useful and competitive tool across several benchmark settings, although its relative performance varies across datasets, forecast horizons, deployment protocols, and forecast disagreement groups. The contribution is not a universal dominance claim, but a framework and empirical study motivating further investigation of when adaptive Gibbs-style forecast combination is useful.
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