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Tuesday 25 August

Machine Learning (Statistics)

Improved Analysis for Hessian-free High-resolution Monte Carlo Sampling

Hessian-free high-resolution (HFHR) dynamics augments underdamped Langevin dynamics (ULD) with reversible position diffusion for sampling problems that arise in machine learning. We establish an explicit quantitative contraction rate for HFHR dynamics under a position Poincaré inequality, weighted Hessian and Laplacian bounds, and a compact Sobolev embedding, where the potential function is not necessarily convex. An adapted time-augmented Poincaré inequality yields an explicit rate that improves upon the contraction rate of the underdamped Langevin dynamics. We also give a weak-solution construction and a self-contained spectral proof of the divergence lemma underlying the argument. For HFHR Monte Carlo (HFHRMC) algorithm, which is based on a discretization scheme of HFHR dynamics, we use a path-space Girsanov argument to obtain a non-asymptotic convergence bound and an explicit iteration complexity in total variation distance. The bounds hold for every $\alpha\geq0$ and $\gamma>0$ and remain regular at the ULD endpoint. Optimizing the iteration complexity bound yields a positive, accuracy-dependent position-diffusion parameter at finite accuracy, while its leading high-accuracy order coincides with that of the optimized ULD endpoint. Our iteration complexity bound improves upon the existing work on HFHR algorithms. Numerical experiments including Bayesian learning problems on real data are provided to illustrate the effect of positive $\alpha$ and its benefit.
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All authors Wujun Lv, Xiaoyu Wang, Yingli Wang, Lingjiong Zhu

Machine Learning (Statistics)

Common-Center Geometry and Certified Radial Reconstruction for Energy-Form Full Conformal Regions

This note studies the geometry of full conformal prediction (FullCP) regions generated by an empirical energy-form pairwise score. Candidate-score convexity alone does not guarantee connected FullCP regions, even for empirical averages of losses convex in the candidate argument. For the energy-form score, each leave-one-out training comparison reduces exactly to a pairwise-dissimilarity sublevel condition. Under symmetry, a constant diagonal, a diagonal lower bound, and attainment of the associated Fréchet-type objective, all comparison regions share a minimizer; if they are convex, every nontrivial exact conformal region is star-shaped about that point. For power distances $\rho_\beta(x,y)=\|x-y\|^\beta$, this geometry holds for $\beta\ge1$, while the conventional energy score is strictly proper for $0<\beta<2$. For $d=1,\beta=1$, every nontrivial empirical-CRPS FullCP region is a nonempty closed interval (possibly $\mathbb R$ when $m=1$). For $1<\beta<2$ and $m\ge2$, explicit data-checkable derivative bounds give Lipschitz control of the radial exits and exact conformal radial function. Combined with directional root search and classical Lipschitz extensions, they yield certified inner and outer radial envelopes of width at most $\delta+2\widetilde Lh_{\mathcal U}$ and same-ray Hausdorff guarantees. An analytic two-dimensional example shows why preserving star-shaped but nonconvex geometry can matter. A staged two-dimensional study finds modest but systematic tightening of the generic certificate and frequent robust nonconvexity witnesses, with detected normalized radial departures typically small. The method is intended for low-dimensional multivariate outputs rather than high-dimensional scaling or runtime improvement.
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2608.24964 · 25 Aug · 29 pages, 3 figures. v2: tightened the radial certificate and added a staged numerical study of certificate tightness and robust nonconvexity diagnostics; conclusions and scope updated. Companion Lean 4 formalization and audited release: https://github.com/riasleyfung/fullcp-geometry-formal/tree/arxiv-v2-release

Machine Learning (Statistics)

What FID Hides: Detecting, Ranking, and Diagnosing Deviations in Generative Evaluation

Generative models are commonly ranked by Fréchet Inception Distance (FID) and Kernel Inception Distance (KID), yet FID's first-two-moment summary can miss distributional differences, and a reported scalar gap alone is not a calibrated test against sampling variation. FID's moment restriction has concrete consequences: on ImageNet, visually unrecognizable images optimized only to match the reference Inception mean and covariance obtain FID $24.7$ versus $58.6$ for held-out real images (lower is better). Moreover, FID and KID are scalar discrepancies that are unchanged when the two samples are exchanged and therefore do not encode the direction of a dispersion change: under-dispersion, as can occur in mode collapse, versus over-dispersion. We introduce ZID (Z-resolved Integrated Diagnostic), which combines six standardized location- and dispersion-sensitive arms from a rank graph (RISE) and Gaussian kernels (GPK at two bandwidths). Rather than asking one scalar to serve incompatible roles, ZID reports three linked outputs: an index for ranking departure magnitude, a permutation $p$-value for testing distributional equality, and a signed dispersion readout for diagnosis. In controlled experiments, ZID detects a broad range of departures, and its score tracks increasing severity along the corresponding sweeps, including cases in which FID is flat or reversed. On DiT-XL/2 and SiT-XL/2 guidance sweeps, ZID detects departure from real data, and its signed readout labels the high-guidance diversity collapse as under-dispersion.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Bellman Calibration for Marginalized Importance Weighting in Offline Reinforcement Learning

Marginalized importance weighting evaluates a target policy by reweighting offline state-action samples with its discounted occupancy ratio, characterized by an adjoint Bellman equation. Existing minimax, primal-dual, and fitted fixed-point estimators can leave residual occupancy-balance violations because of function-class approximation, regularization, or incomplete optimization. These violations are difficult to diagnose and reduce because the objectives generally lack a direct supervised validation loss for hyperparameter tuning, model selection, and early stopping. We introduce isotonic Bellman calibration, a one-dimensional, model-agnostic post-processing method that reduces these violations while preserving the ranking information in any initial occupancy-ratio estimate. The method corrects the estimate's scale and shape by applying fitted occupancy-ratio evaluation (FORE) over a one-dimensional class of nondecreasing transformations. We characterize Bellman calibration as a conditional fixed-point property equivalent to occupancy-balance against every test function of the calibrated ratio. More generally, we derive a calibration-refinement bound showing that any fitted ratio with small calibration error performs nearly as well as the best post-processing based on its fitted values. For isotonic Bellman calibration, we establish finite-sample calibration guarantees and a KL oracle inequality relative to the best monotone transformation of the initial estimate. Consequently, isotonic Bellman calibration achieves small calibration error and KL risk within statistical error of the best monotone correction, with guarantees for downstream target-occupancy functionals, including policy-value estimation.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Effective Learning Rate Governs Loss Dynamics in Language Model Pretraining

We uncover ELR collapse in language model pretraining: learning rate (LR) and parameter norm govern loss dynamics primarily through their ratio, the effective learning rate (ELR). When ELR is matched across runs, their loss trajectories collapse throughout training despite substantially different LRs and parameter norms. Across optimizers, architectures, datasets, and model scales, mean collapse errors are typically a few x 10^-3, below the seed-to-seed variation measured in a representative configuration. Systematic ablations identify normalization design and the timescale of LR-norm variation as key determinants of collapse precision. Controlled interventions further show that weight decay and Hyperball shape loss dynamics primarily through the ELR schedules they induce. Replacing LR with ELR enables a fitted functional scaling law (FSL) to transfer across norm-control methods. The resulting ELR-based FSL also explains delayed acceleration, a recurring effect of norm control. Together, these results establish ELR as a common coordinate linking LR scheduling, norm control, and loss dynamics.
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All authors Zihan Liu, Ruiheng Zheng, Shaobo Zhang, Changxin Tian, Kunlong Chen, Zhiqiang Zhang, Lei Wu

Machine Learning (Statistics) · Cross-listed from physics.plasm-ph

Physics Attention Transformer Surrogate for Rapid Vertical Instability Growth Rate Prediction: Alcator C-Mod to SPARC

In this work, we investigate rapid prediction of the dominant $n{=}0$ vertical instability growth rate in C-Mod and SPARC equilibria, where nonrigid free boundary response models are too slow for control cycle use. Using a Physics Attention Transformer trained on MEQ-FGE-L labels, we predict both the scalar growth rate and the associated two dimensional perturbed toroidal current density. We find mean absolute errors of 5.4~s$^{-1}$ on held out C-Mod equilibria and 12.7~s$^{-1}$ on synthetic SPARC cases, with spatial eigenfunction errors near 5%. We also compared PAT with operator based ML models : FNO2D and DeepONet, where we found PAT predicts a much lower normalised growth rate error and improved spatial reconstruction. These results indicate that PAT can reproduce MEQ-FGE-L outputs at control relevant latency and could support future studies of growth rate headroom monitoring and proximity aware shape control.
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All authors Arunav Kumar, Cesar Clauser, Theodore Golfinopoulos, Cristina Rea, Francesco Capersene, Dan Boyer, SPARC Team, Alcator C-Mod Team

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

Method, Mind, and Morality: How People Make Sense of Artificial Intelligence

How can humans make sense of the rapid takeoff of artificial intelligence (AI)? We studied the sensemaking dynamics of AI through an open-ended, mixed-methods study with computational text analysis of millions of AI-related newspaper articles and social media posts grounded in 57 semi-structured interviews with AI professionals in 2021 and 2023–before and after the recent surge of public interest. We identify a range of sociological frames (interpretive schemas that structure collective cognition) and show how AI professionals use frames to address significant cognitive challenges, such as assigning responsibility for societal impacts. We develop a framework of three primary debates across which frames are adopted and contested: (i) the $\textit{method}$ of AI development, between frames of top-down expert systems and bottom-up emergent capabilities, (ii) the $\textit{mind}$ of an AI system, ranging from a passive tool to a humanlike "digital mind," and (iii) the $\textit{morality}$ of how AI is used, particularly the decision of whether to slow down or speed up AI development. As humanity enters the era of transformative AI, technologists and policymakers must account for the framing dynamics that will circumscribe our beliefs, values, and actions.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Optimal Alternating Regret for Online Learning and Games

We settle the minimax-optimal alternating regret, a regret notion motivated by alternating learning dynamics in games, for both online linear optimization (OLO) and online convex optimization (OCO). For OLO over the probability simplex $\Delta_d$, we give an algorithm with $O(\log d)$ alternating regret that remains a constant for any time horizon $T$, and a matching lower bound. Our constant regret bound significantly improves previous results with $O(\log ^{2/3}d \cdot T^{1/3})$ regret [Cevher, Cutkosky, Kavis, Piliouras, Skoulakis, Viano, NeurIPS 2023, Hait, Li, Luo, Zhang, COLT 2025]. As a result, we obtain alternating learning dynamics with $O(\log d /T)$ convergence to Nash equilibria in two-player zero-sum games and $O(\log d /T)$ convergence to coarse correlated equilibria in two-player general-sum games. This is the first uncoupled learning dynamics with $O(1/T)$ convergence to CCE in two-player general-sum games, while all prior works suffer additional $\log T$ factors. For general OCO over a $d$-dimensional compact convex set, we give an algorithm with $O(d\log (1+T/d))$ alternating regret, improving the previous best of $\widetilde{O}(d^{2/3}T^{1/3})$. We also prove a matching lower bound of $\Omega(d\log (1+T/d))$, showing that the $\Omega(\log T)$ factor is unavoidable.
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Machine Learning (Statistics) · Cross-listed from cs.CV

Interpretable Fundus Image Classification via Ring-Based Retinal Vasculature Features

Retinal fundus photography is widely used for screening and monitoring ocular diseases, but many modern classification pipelines rely on deep latent representations and provide limited interpretability. This study develops an interpretable fundus image classification framework based on a ring-structured representation of the retinal vasculature centered on the optic disc. The method quantifies vessel geometry, color appearance, oxygenation-related vascular appearance, and vessel–background entropy within concentric retinal regions. These physiologically motivated descriptors are derived from vessel masks, image intensities, and optical-density measurements and aggregated across rings to capture spatial variation in vascular properties. Using only quantitative vascular descriptors, the proposed method achieved strong classification performance across three public fundus datasets. On HRF, it achieved 91.1% accuracy using automatically generated vessel masks, matching RETFound, a vision transformer pretrained on large-scale retinal fundus image data, under the same evaluation setting. Additional analyses suggest that pretrained image models are sensitive to acquisition-related spatial cues, including fundus scale and retinal position within the field of view, as well as broader non-vessel image characteristics. This framework may support interpretable disease classification, quantitative retinal phenotyping, and retinal biomarker discovery without requiring large task-specific training datasets.
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All authors Xiaoyan Li, Shixin Xu, Arvind Gupta, Huaxiong Huang

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

Toward a Semiparametric Efficiency Theory under Equality Constraints in Nested Markov Models

Probabilistic models of Directed Acyclic Graphs (DAGs) with latent variables impose equality constraints on the observed data distribution beyond ordinary conditional independencies. These so-called Verma constraints arise in nested Markov models associated with Acyclic Directed Mixed Graphs, the latent projection of latent-variable DAGs. While nested Markov models have been extensively studied from the perspectives of graphical representation and causal identification, their implications for semiparametric efficiency theory remain less understood. We develop results toward establishing a semiparametric framework for statistical models defined by Verma constraints. Our key observation is that nested Markov constraints admit weighted conditional-moment representations under post-fixing distributions induced by graphical fixing operations. We show that fixing induces weighted orthogonality relations in L2(P), thereby converting Verma constraints into explicit tangent-space restrictions. Building on this representation, we characterize the tangent-space orthocomplement for models defined by a single nested Markov constraint through residualized weighted moment functions. This geometric formulation yields Hilbert-space characterizations of semiparametric efficient influence functions and efficiency bounds via orthogonal projection and equivalent minimum-variance formulations. We further discuss extensions to models involving multiple nested Markov constraints, for which we characterize a subspace of the orthocomplement as sums of the corresponding weighted orthogonality relations, while leaving the complete tangent-space characterization open. More broadly, our results connect nested graphical structure with semiparametric Hilbert-space geometry and provide a foundation for a general efficiency theory for nested Markov models. We illustrate the framework through several latent-variable DAGs.
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Machine Learning (Statistics) · Cross-listed from math.OC

Optimal Allocation of Embedding Dimensions under Finite-Sample Constraints

The embedding dimension of categorical predictors is usually selected through heuristic tuning, although it directly affects model complexity, approximation quality, and finite-sample generalization. This paper formulates embedding dimension selection as a constrained allocation problem. The main contribution is to show that embedding capacity can be allocated across heterogeneous categorical predictors according to an explicit approximation-estimation tradeoff. We characterize approximation error through the singular-value tail of the latent category representation, while estimation error increases with total embedding complexity. Under a fixed global embedding budget and a tractable approximation model, this leads to a closed-form allocation rule in which the dimension assigned to each predictor is proportional to the square root of its approximation value relative to its parameter cost. Simulation experiments support the proposed approximation-estimation interpretation and show that the allocation rule improves budget efficiency relative to standard uniform and cardinality-based heuristics, particularly when the budget is binding and predictor heterogeneity is substantial. A real-data healthcare application further shows improvements in predictive accuracy and probabilistic calibration. Overall, the results establish embedding-dimension allocation as a principled finite-sample optimization problem rather than a purely heuristic modeling choice.
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Machine Learning (Statistics)

$\texttt{findr}$: Transparent and Fair Credit Risk Decisions through Semi-Structured Regressions

Credit risk models increasingly need to combine predictive accuracy with transparent explanations and auditable fairness constraints. Logistic regression remains attractive because its coefficients are easy to interpret, but it can miss nonlinear structure. Flexible models can improve prediction, but their explanations are often post-hoc and may not describe the decision rule itself. We introduce $\texttt{findr}$, short for flexible, interpretable deep regression, a semi-structured framework for binary credit risk modelling that decomposes the logit into an interpretable structured component and an orthogonal neural residual. The orthogonalisation separates coefficient-based effects from residual nonlinear variation, while an in-processing Wasserstein penalty mitigates group disparities by comparing score distributions during training. The framework also includes diagnostics that measure the structured component's contribution to logit variation, decision agreement, and local directional consistency. We evaluate $\texttt{findr}$ in a simulation study and on eight public credit datasets using score-level accuracy-fairness frontiers. The results show that $\texttt{findr}$ behaves close to logistic regression when the signal is approximately linear, while recovering much of the predictive gain of neural models when nonlinear structure is relevant. The diagnostics identify when coefficient-based explanations remain close to the full fitted model and when residual variation must also be examined. These findings support semi-structured modelling as a practical way to make performance, fairness, and interpretability trade-offs explicit in credit risk decisions.
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Machine Learning (Statistics)

Scalable and Versatile Identification for Hierarchical Structural Causal Models: A New Look at Project STAR

The STAR (Student-Teacher Achievement Ratio) experiment (1985, Tennessee, USA) is a landmark hierarchical dataset designed to assess the impact of class size on student outcomes, with observations nested within classes. To encode class-level interventions in such hierarchical settings, we develop a complete, scalable, open-source pipeline for Hierarchical Structural Causal Models (HSCM) that bridges symbolic identification and practical estimation. Our approach integrates graph transformations, pyAgrum's do-calculus for automatic identification of causal effects, adaptation of symbolic expression into closed-form HSCM formulas, and numerical estimation from fitted local probability models. A key innovation is our adapted Abstract Syntax Tree (AST), which decomposes pyAgrum's identified formulas into independent density, expectation, and marginalization tasks, enabling parallel and scalable computation. We validate the pipeline on canonical HSCM motifs and benchmark scenarios with known ground truth, then apply it to STAR kindergarten mathematics outcomes. The results show that flat baselines (ignoring hierarchy) recover associations but fail to encode class-level interventions, and that symbolic identification alone is not enough for practical Hierarchical Structural Causal inference; scalable estimation and numerical stability checks are central parts of the scientific object.
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All authors Janis Aiad, Aghiles Drali, Aymen El Ouadrhiri, Anass Ettahiri, Yasser Oufqir, Simon Patry, David Cortes, Marianne Clausel, Emilie Devijver

Machine Learning (Statistics)

Sequential operator learning under dependent data

Learning operators from sequentially collected data arises in adaptive experimental design, Bayesian optimization, and dynamical-system modelling, where observations may be dependent, and future inputs or sensing operators may depend on preceding data. We derive time-uniform self-normalized concentration bounds for stochastic processes in Hilbert spaces with vector-valued noise. We use these bounds to obtain regression-error guarantees for linear operators, including targets outside the Hilbert estimation space, and for nonlinear parametric operators trained with strongly convex losses and regularizers. Our results allow possibly infinite-dimensional inputs and outputs without independence or mixing assumptions, providing a major step towards convergence guarantees for adaptive operator learning and learning from stochastic dynamical data.
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Machine Learning (Statistics)

A Heterogeneous Mixture of Experts Framework for Interpretable Machine Learning

Mixture-of-Experts (MoE) models provide a flexible framework for partitioning complex prediction problems into simpler local learning tasks through an input-dependent gating mechanism. Existing interpretable MoE approaches, such as Mixture of Decision Trees (MoDT), achieve transparency by employing homogeneous decision-tree experts, but this restricts the model to a single inductive bias across all regions of the feature space. We extend the MoDT framework by introducing heterogeneous expert families comprising decision trees, linear support vector machines, and quadratic discriminant analysis under a common probabilistic gating mechanism. To ensure coherent likelihood-based inference, non-probabilistic experts are calibrated to produce conditional class probabilities, allowing parameter estimation within the generalized Expectation-Maximization framework of MoDT. We further establish theoretical monotone ascent guarantees for the proposed heterogeneous gating updates, providing a justification for the optimization procedure. Experiments on a diverse collection of synthetic and real-world benchmark datasets demonstrate that the proposed framework adaptively specializes experts according to local data geometry, yielding interpretable expert assignments while achieving predictive performance competitive with homogeneous MoDT and Random Forests. The proposed approach combines interpretability, adaptive inductive bias selection, and probabilistic coherence within a unified mixture-of-experts framework.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Robust Data-Collection Policy Learning for Low-Variance Online Policy Evaluation

In reinforcement learning policy evaluation, classic on-policy methods often suffer from high variance when estimating policy performance. To mitigate this issue, behavior policy search has been proposed to learn data-collecting policies tailored to reduce online evaluation variance. However, these approaches do not account for uncertainties in the transition functions. In practice, simulator transitions often differ from the real world due to modeling errors or approximation limitations. As a result, behavior policies trained in simulation may still yield high variance when deployed in real environments, leading to costly reliance on real-world evaluation samples. In this work, we propose a double-loop gradient-based algorithm for learning behavior policies that are both efficient and robust to transition uncertainty. Theoretically, we derive novel transition-variance gradient expressions and establish global convergence guarantees for the algorithm. Numerically, we demonstrate that our method is less sensitive to transition perturbations than existing approaches, providing supportive evidence for its practical utility.
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All authors Claire Chen, Shuze Daniel Liu, Licheng Luo, Rohan Chandra, Nan Jiang, Shangtong Zhang

Machine Learning (Statistics)

qshap: Fast Shapley Decomposition of $R^2$ for Gradient-Boosted Trees

Numerous methods have been developed to quantify feature attributions in individual predictions for tree ensembles. However, many applications require global measures of feature contributions to overall model performance. Although local attribution scores can be aggregated to characterize feature importance, such summaries do not directly decompose measures of predictive performance, such as $R^2$. This article introduces qshap, available in both R and Python, which provides Shapley decomposition of $R^2$ values for gradient-boosted decision trees (GBDTs) to quantify feature-specific contributions to model performance. By decomposing the quadratic loss of individual observations, qshap provides flexible tools to explore the importance of individual features and observations. qshap currently supports widely used GBDT implementations, including xgboost, lightgbm, and catboost, through a unified tree representation and efficient C++ backends. Its modular design can accommodate other GBDT implementations built from binary decision trees. In addition, we introduce a specialized backend for oblivious trees that exploits their symmetric structure to substantially accelerate computation.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Knowing When to Ask for Help: Bayesian Self-Escalation in Hierarchical LLM Agents

Current LLM agent systems decide delegation before reasoning begins (a router picks a model) or after a response is complete (a verifier scores it and may retry). We study a third regime: an agent that recognises, during its own reasoning, that it is unlikely to succeed and transfers control to a stronger model. We formulate intra-generation delegation as a Bayesian optimal-stopping problem over a learned competence posterior – an online estimate of the agent's eventual task success whose sufficient statistics are learned from labelled trajectories, not read off raw entropy. We derive the myopic escalation threshold in closed form, characterise the optimal policy via dynamic programming, and prove that the optimal policy is a time-varying threshold with no shape assumption on the raw signal. We further prove exponential separation of the oracle belief at the Chernoff-information rate of the signal, a regret bound governed by the calibration of the posterior, and a finite-sample guarantee: with n labelled calibration trajectories the deployed plug-in policy's regret decays as 1/sqrt(n). A controlled simulation study confirms each prediction of the theory, including the predicted 1/sqrt(n) rate. We additionally report a real-model validation on a Qwen2.5-Coder 1.5B->7B code cascade (MBPP, 257 tasks), confirming two of three pre-registered predictions: the escalation frontier dominates post-hoc routing at equal cost, and the cumulative competence belief's discrimination rises over generation.
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Machine Learning (Statistics) · Cross-listed from cs.LG

ChorusTIC: Training-Free Multivariate Time Series Classification via Chorus In-Context Learning

Time series classification underpins applications in healthcare, sensing, and industrial monitoring. Although time series foundation models support forecasting and transferable representation learning, classification still typically requires fitting a task-specific classifier on each target dataset, while individual channels of multivariate inputs are often encoded independently. We introduce ChorusTIC, a classification-native foundation model for in-context classification across heterogeneous channel configurations without target-task parameter updates. ChorusTIC combines episode-consistent Random Subchannel Slot Concatenation with a shared dual-axis encoder to model temporal and cross-channel interactions and map variable channel configurations into a fixed-width representation independent of the original channel count. It then calibrates feature axes using context-derived distributions and predicts query labels through leakage-protected in-context learning. We pretrain ChorusTIC solely on synthetic labeled episodes comprising context and query sets that share a task background, with classes distinguished by sparse temporal or cross-channel rules. Evaluations on the complete UEA-30 and UCR-128 archives show strong full-context and low-label performance without target-specific classifier fitting.
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All authors Juntao Fang, Shifeng Xie, Ruichu Cai, Shengji Zheng, Zijian Li, Keli Zhang, Lujia Pan, Themis Palpanas, Zhifeng Hao

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

Revenge of Monosemanticity: Neuron Specialization as a New Form of Feature Learning in MLPs

Understanding how neural networks learn and organize features is central to understanding their behavior. Much existing theory of feature learning has focused on the emergence of a global low-dimensional representation. We show that this picture is incomplete. In regression problems with clustered data, we demonstrate that multilayer perceptrons (MLPs) naturally develop monosemantic specialized neurons: individual neurons become strongly aligned with a specific predictive feature relevant to a particular region of the input space. Rather than learning a single global low-dimensional representation, MLPs learn a collection of local low-dimensional representations. We show that this ability to specialize gives MLPs a provable data-efficiency advantage over feature-learning methods based on a global low-dimensional representation.
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All authors Amirhesam Abedsoltan, Enric Boix-Adsera, Fivos Kalogiannis, Mikhail Belkin

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

Learning from Uncertainty-dependent Missing Labels for Semi-supervised Classification

Missing labels are usually regarded as a source of information loss in classification. We study a semi-supervised setting in which the probability of label missingness depends on the observed features through posterior classification uncertainty. In this setting, the missingness indicator is not only a record of an unobserved label, but also an observable signal generated by a mechanism linked to the classifier. We develop a likelihood-based information theory for such uncertainty-dependent missing labels. Under correct specification, we derive a Fisher-information decomposition that separates a partial-labeling component from a nonnegative mechanism-curvature term. Under joint misspecification of the label model and the missingness mechanism, we obtain the corresponding Godambe–Eicker–Huber–White sensitivity and sandwich-covariance partitions. We also clarify the relevant complete-data benchmark: favorable missingness can increase information relative to ordinary fully labeled or budget-matched non-informative labeling baselines, but cannot exceed the information in the augmented experiment in which labels and mechanism indicators are both observed. For plug-in classifiers, we connect the information decomposition to margin-based excess-risk bounds. In regular two-component mixture settings this yields the parametric \(n^{-1}\) excess-risk rate, with constants determined by the nuisance-adjusted information in discriminant directions. Gaussian-mixture calculations and a medical diagnosis example illustrate how uncertainty-dependent labeling mechanisms can improve estimation and classification under a fixed labeling budget.
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Machine Learning (Statistics)

Generalization, memorization, and overfitting for diffusion models trained in the lazy high-dimensional regime

Modern score-based generative models have achieved remarkable empirical success in high-dimensional tasks such as image, audio, and video synthesis. These models reduce distribution learning to a sequence of regression problems that, if solved exactly on finite data, would ultimately reproduce the training samples. Their ability to generalize must therefore arise from the implicit or explicit regularization during training. In this work, we develop a generative counterpart to the theory of benign overfitting and algorithmic regularization for overparameterized neural networks in the supervised lazy-training regime. We study denoising score matching in a vector-valued reproducing kernel Hilbert space with an inner-product kernel. In the proportional high-dimensional regime $n\asymp d$, we derive exact risk trajectories under gradient flow training. These trajectories exhibit three phases governed by qualitatively distinct estimators: a spectral estimator that generalizes, a pure-noise score with localized peaks that interpolate the training objective, and an empirical Bayes estimator that memorizes the data. We then analyze how these estimators combine along the reverse-time SDE and characterize the distribution of the resulting samples. The analysis reveals familiar mechanisms from supervised learning, including kernel linearization and self-induced regularization from the nonlinear part of the kernel, but also reveals a distinct phenomenology specific to generative modeling.
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All authors Hugo Latourelle-Vigeant, Sinho Chewi, Aram-Alexandre Pooladian, John Sous, Theodor Misiakiewicz

Monday 24 August

Machine Learning (Statistics)

Conformal Bayes under Continuous Label Shift: Sensitivity Analysis and the Limits of Exact Validity

Conformal Bayes combines Bayesian posterior predictive scores with conformal calibration, but under continuous label shift both the score and calibration weight depend on the unknown response-marginal density ratio. Existing methods typically estimate one shift parameter from pseudo-labels or predictive samples and plug it into calibration. We instead propose Joint Tilt-Sensitivity Conformal Bayes (JTS-CB), which performs sensitivity analysis over a prespecified set of plausible tilts; its split-conformal realization is JTS-SCB. Each tilt jointly determines the Bayesian conformal score and conformal importance weight. JTS-SCB forms a bounded sensitivity envelope over candidate tilts, but its calibration-only construction does not inherit the exact finite-sample weighted-conformal guarantee. We therefore study a separate candidate-weighted exact counterpart and show that its usefulness depends sharply on tail behavior. For scalar linear exponential tilts, any nonzero candidate tilt makes the exact set unbounded. More generally, tail-growing density ratios produce the same pathology, whereas quadratic tilts with a negative coefficient on \(y^2\) have vanishing tail weights and admit bounded exact inference on the original target. Ratio clipping provides a complementary bounded exact construction for a surrogate target when tails grow. Experiments show that strong plug-in predictive sampling can match the oracle when the shift is well identified, while sensitivity analysis is most useful for richer, weakly identified, or systematically biased shift models, at the cost of wider prediction sets.
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Machine Learning (Statistics) · Cross-listed from math.ST

Fourth-Moment Strong Universality for Finite-Type Transpose-Correlated Random Matrices

We prove a strong-universality theorem at the exact fourth-moment threshold for finite families of non-Hermitian random matrices assembled from independent unordered-pair vector atoms. Within one atom, the matrix colors and the two endpoint orientations may have arbitrary joint real covariance, subject to reversal consistency across ordered type pairs and endpoint exchangeability in same-type blocks; the law may also depend on finitely many endpoint types. The matrices may be adjoined to an arbitrary deterministic tuple that converges jointly strongly with the type projections. For every fixed matrix amplification and fixed noncommutative \(*\)-polynomial, the resulting tuple converges strongly to an explicit covariance-matched free Gaussian family. Cross-type blocks are described by masked circular variables, whereas same-type blocks split into independent endpoint-symmetric and endpoint-antisymmetric semicircular sectors. Only a finite radial fourth moment is assumed off the diagonal, and a finite second moment suffices on the diagonal. The mode of convergence depends on the coupling: corners of one infinite array converge almost surely on a common event, while fixed-law nonnested triangular arrays converge in probability for each fixed test. As an application, we obtain exact-fourth-moment strong limits for finite-separable continuous left/right profiles, including separately weighted literal-transpose terms. For the nested almost-sure formulation, the fourth-moment threshold is sharp already on the Wigner subfamily; at this threshold arbitrary fresh rows admit no coupling-invariant almost-sure upgrade of our in-probability conclusion.
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Machine Learning (Statistics) · Cross-listed from cs.AI

Data Mixing as Mixture Experiment: Response Surface Methodology and Optimal Design for Large Language Model Pretraining

Data mixing is a central design problem in large language model pretraining: given a fixed token budget, practitioners must decide how much data to allocate to each domain. Recent proxy-based methods address this problem by training small models on candidate mixtures, fitting a response model, and using the response to select mixtures for larger-scale training. We show that this workflow has the structure of a classical mixture experiment. Under this view, data domains are mixture components, token shares are component proportions, proxy-training runs are experimental design points, and validation loss defines a response surface over the probability simplex. We develop this formulation using sparse second-order Scheffé response-surface models and construct model-robust $\mathcal{I}$-optimal designs for proxy data-mixing experiments. Using RegMix as an empirical case study, we demonstrate how the framework can both interpret observed mixture responses and design more efficient proxy experiments. The Scheffé analysis shows that domain value is strongly relational: several domains that are weak under additive effects become favourable through pairwise interactions, especially through combinations with web-derived text. The sparse Scheffé model preserves mixture rankings across model scales and remains competitive with a flexible machine-learning predictor while providing an explicit decomposition of additive and interaction effects. In a simulation study calibrated to observed proxy-training responses, model-robust $\mathcal{I}$-optimal designs recover the relevant mixture ordering after removing about 25% of the original proxy runs. These results suggest that LLM data mixing should be treated not only as a prediction problem, but also as an experimental-design problem in which the proxy mixtures themselves can be chosen to improve statistical efficiency.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Revelation Control

Revelation Control is the problem of choosing priced interventions that reveal hidden state only insofar as the revealed distinctions can change a consequential decision, while accounting separately for any useful progress created by the intervention itself. We develop this theory for learning systems, where states equivalent under declared current information can respond differently to future training and favor different actions. The framework defines decision-sufficient revelation and revelation depth, separates pure information value from productive reuse, embeds static Bayes refinement into state-dependent continuation value, and gives an exact cost-adjusted factorization criterion: an additional shallow coordinate is decision-nonredundant only when states sharing a scalar summary lie on opposite sides of the priced Stop/Continue boundary. We also give a target-independent protocol for model-specific instantiation and prove that bounded stop-flip risk alone cannot certify positive expected utility under unrestricted severity. Across Qwen2.5-7B and Mistral-7B-v0.3, deeper future-learning probes have positive decision value and productive reuse yields strict equal-compute utility advantages. Qwen additionally provides evidence for a decision-nonredundant shallow revealability regime; in Mistral, a scalar continuation architecture fit only on an independent development panel retains positive familywise-adjusted lower bounds on a disjoint target panel, consistent with scalar decision sufficiency within the tested architecture family and resolution. The evidence supports structural rather than numerical transfer: the decision theory, cost accounting, continuation logic, and evaluation protocol transport, while empirical proxies, coefficients, thresholds, and even the required shallow state dimension may be system-specific.
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Machine Learning (Statistics) · Cross-listed from stat.ME

Graph-dependent shrinkage priors for Bayesian trend filtering

Many common data dependencies can be characterized by graphs: time series data are sequential (chain graph), images appear as pixels (lattice graph), areal data are defined by neighboring units (spatial adjacency graph), etc. Graph trend filtering seeks to smooth and predict such data. However, classical trend filtering only incorporates the graph for estimation of the trend, which limits its adaptivity, and is brittle in the presence of missing data. Further, it lacks uncertainty quantification and faces certain computing challenges. We address these limitations with a comprehensive Bayesian framework for (graph-) dependent data. Our approach leverages the graph at three critical junctures: 1) the trend, to enable smoothing, imputation, and prediction; 2) the local shrinkage, to enhance adaptivity and precision; and 3) the MCMC sampling algorithm, to deliver scalable posterior (predictive) inference via sparse and banded operations. For the proposed graph-dependent shrinkage priors, we study the local concentration and adaptivity properties and establish conditions for posterior propriety. Simulation studies demonstrate that, relative to state-of-the-art frequentist and Bayesian alternatives, this framework provides more accurate point estimates, more precise interval estimates, and highly competitive computing. We apply our methods for spatio-temporal modeling and forecasting of local area unemployment data for every county in the continental U.S. during the 2020 COVID-19 unemployment shock.
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Machine Learning (Statistics)

(Mis)Understanding Benign Overfitting in Equity Return Prediction

Highly overparameterized models often predict well despite interpolating training data in complex domains, challenging the classical bias–variance tradeoff. We investigate whether this “benign overfitting” phenomenon extends to equity return prediction. Consistent with recent statistical theory, we document two key phenomena: first, a double descent pattern in the ridgeless model's prediction risk; and second, that while the optimal ridge model consistently outperforms its ridgeless counterpart, this performance gap becomes negligible at large parameter-to-observation ratios. Ultimately, however, both models fail to outperform a simple historical average. This empirical evidence aligns with our asymptotic results under the null hypothesis of zero slope coefficients, suggesting that standard equity predictors lack true forecasting power—even within highly flexible, nonlinear machine learning architectures. These findings reconcile modern and classical machine learning in asset pricing: in the absence of a true signal, they asymptotically collapse to the historical average benchmark.
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All authors Hui Guo, Jiawei Huang, Runze Li, Yan Yu

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

Provably adaptive sampling with uniform and remasking discrete diffusion models

Discrete diffusion models offer a promising alternative to autoregressive generation by enabling parallel updates, but their sampling efficiency can depend strongly on the choice of the forward process and the sampler. For the uniform forward process, existing lower bounds for the standard $\tau$-leaping sampler scale linearly with the ambient dimension $d$, raising the question of whether this dependence is intrinsic to the forward process. We answer this question in the negative. We consider a first-order sampler based on the leave-one-out denoiser for uniform and remasking processes whose coordinate updates can be performed in parallel. In both cases, the sampler can correct denoising mistakes during the sampling process, which becomes necessary when many coordinates are updated together. Our main result establishes an adaptive sampling guarantee: up to logarithmic factors, $N = O(\mathrm{DTC}(X_0) / \varepsilon)$ discretization steps suffice to achieve sampling error $O(\varepsilon_{\mathrm{score}}+\varepsilon)$, where $\varepsilon_{\mathrm{score}}$ is the error in score estimation. Thus, the sampling complexity is governed by the intrinsic dependence structure of the target distribution, as measured by its dual total correlation $\mathrm{DTC}(X_0)$, rather than directly by the ambient dimension $d$. Our analysis proceeds through a Bayes-optimal auxiliary sampler that separates discretization error from score-estimation error. We also derive an exact information-theoretic representation of the discretization error in terms of the mutual information between different coordinates of the forward process at different times. This representation applies to general forward processes and, in the uniform and remasking cases, can be controlled by $\mathrm{DTC}(X_0)$. Numerical experiments on structured synthetic distributions illustrate the predicted dimension-adaptive behavior.
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Machine Learning (Statistics) · Cross-listed from cs.CL

ConvergeFlow: Language Flow with Provable Convergence to Token Embeddings

Recent advances in continuous diffusion and flow-based language models (LMs) have achieved performance competitive with discrete LMs. However, existing continuous frameworks still rely on decoders supervised with cross entropy (CE) because the flow trajectories are not guaranteed to terminate at valid token embeddings. Motivated by this limitation, we introduce ConvergeFlow, an embedding-space flow-based LM, which constrains the data predictor to the convex hull of token embeddings and trains it solely with the mean squared error objective induced by flow matching. Under suitable regularity conditions, we prove that the resulting flow converges to valid token embeddings despite errors in the data predictor, enabling direct token prediction without a CE-supervised decoder. We further develop three sampling mechanisms for controlling the trade-off between the generative perplexity and entropy. Experiments on OpenWebText demonstrate that ConvergeFlow achieves performance competitive with existing continuous and discrete diffusion LMs. These findings demonstrate the potential of the flow-based paradigm for language modeling. Our code is available at https://github.com/Na-Li66/ConvergeFlow.
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All authors Na Li, Yuchen Jiao, Changxiao Cai, Gen Li