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Wednesday 30 September

Machine Learning (Statistics)

Asymptotic Properties of Support Vector Machines in High-Dimension, Low-Sample-Size Settings under a Spiked Model

In this paper, we consider asymptotic properties of the support vector machine (SVM) in high-dimension, low-sample-size (HDLSS) settings under a spiked model. The existing theory of the SVM in the HDLSS context relies on the geometric representation of HDLSS data, which requires that the eigenvalues of the covariance matrices are not dominant. We first show that the geometric representation does not hold under the spiked model. We show that the Gram matrix of HDLSS data converges in distribution to a random matrix, namely, the HDLSS data converge to a random configuration in a finite-dimensional space whose dimension is given by the number of the spikes. We show that the misclassification rates of the SVM do not tend to zero, that is, the SVM does not hold the consistency property. We also show that the bias-corrected SVM (BC-SVM) does not give preferable performance in this setting because the bias term itself should be modified. In order to overcome such difficulties, we propose a spike-corrected SVM (SC-SVM). We show that the SC-SVM holds the consistency property when the sample size goes to infinity, and that the growth of the sample size is essential in the sense that any projection-based procedure fails when the sample size is fixed. Finally, we check the performance of the classifiers by numerical simulations.
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Machine Learning (Statistics)

Steepest Guidance: A Practical and Principled Approach to Inference-Time Alignment of Flow and Diffusion-based Models

Inference-time alignment of flow and diffusion-based models is critical for achieving flexible generative modeling. Theoretically, Doob's $h$-transform provides an elegant solution to this problem, and most existing methods are based on this principle. However, in practice, estimating the optimal guidance derived from Doob's $h$-transform at inference time is challenging. To deal with this issue, we regard inference-time alignment as a sequential optimization problem in the space of probability measures and propose a novel framework called *Steepest Guidance*, based on the principle of maximizing local improvement in the objective. We provide a theoretical analysis of the proposed method and demonstrate its effectiveness through extensive experiments.
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All authors Shokichi Takakura, Akifumi Wachi, Rei Higuchi, Kohei Miyaguchi, Taiji Suzuki

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

A Rank Graduation metric for Algorithmic fairness

Fairness assessment in algorithmic decisions that affect individuals, such as credit scoring, often relies on parity measures calculated at the aggregate group level. Such measures may not reveal which individuals experience unfairness or which explanatory factors contribute to it. In this paper, we propose a rank-based framework that evaluates fairness through the distribution of model prediction errors, thereby linking fairness assessment with predictive accuracy and explainability. The framework combines Rank Graduation Fairness (RGF), its integrated measure AURGF, a centered Cramer–von Mises permutation test, and a feature removal procedure for fairness explainability. We evaluate the methodology using logistic regression, random forest, gradient boosting, and a multilayer perceptron. The simulation study shows that protected-group imbalance can reverse descriptive fairness comparisons, whereas the proposed inferential procedure correctly distinguishes fair from unfair mechanisms. Its application to HMDA mortgage data produces model rankings that differ from those obtained with classical fairness criteria. Tree-based models, rather than logistic regression, provide the strongest combination of predictive accuracy and rank-based fairness, while the fairness null hypothesis is rejected for all four models. The persistence of disparity across statistical, bagging, boosting, and neural network specifications, together with the feature removal results, indicates that the observed unfairness is not specific to a single algorithm or predictor, but is associated with group differences embedded in the characteristics of the lending data. These findings support a broader approach to trustworthy artificial intelligence that combines predictive accuracy, fairness measurement, statistical inference, and explainability.
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Machine Learning (Statistics)

Minimax rates for learning spectral Barron functions by deep ReLU neural networks

We study how well deep neural networks approximate and learn spectral Barron functions. Recent studies have shown that these function classes can be efficiently approximated by shallow neural networks without suffering from the curse of dimensionality. We complement these results by providing new approximation bounds for deep networks with ReLU activation and establishing the minimax rates for learning these function classes. Specifically, we show that $d$-dimensional spectral Barron functions with smoothness index $s>0$ can be approximated by deep ReLU neural networks with approximation rate $\widetilde{\mathcal{O}} (S^{-\frac{1}{2}-\frac{s}{d}})$, where $S$ denotes the number of nonzero parameters in the network. Using this approximation result, we further show that deep ReLU neural networks can learn spectral Barron functions in a fast rate $n^{-\frac{d+2s}{2d+2s}}$ with $n$ training samples. Finally, we prove that this convergence rate is minimax optimal up to logarithmic factors.
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Machine Learning (Statistics) · Cross-listed from cs.CV

On the Relaxation of Conditional Independence Assumption for Image Segmentation

In semantic segmentation, a recent line of RankSEG methods directly optimizes Dice/IoU scores at inference time, improving alignment with evaluation metrics without modifying model training. Despite its theoretical and empirical success, RankSEG relies on the restrictive Conditional Independence Assumption (CIA), which ignores crucial label correlations and therefore degrades performance in ambiguous or low-contrast scenarios. However, accounting for full label dependence is computationally prohibitive, requiring $\mathcal{O}(d^3)$ time. To address this, we replace the CIA with a Spatially Localized Dependence (SLD) structure that captures local label correlations while keeping the dependence model tractable. We further overcome the remaining computational bottleneck via a Reciprocal Moment Approximation coupled with a novel fixed-point optimization strategy that eliminates exhaustive search. The proposed algorithm achieves a highly practical $\mathcal{O}(d \log d)$ complexity and consistently outperforms conventional argmax and CIA-based RankSEG across diverse segmentation benchmarks. Improvements are significant in low-contrast or small-object scenarios, where label dependence offers valuable signals complementary to image information for accurate segmentation. The code of experiments is available at https://github.com/ZixunWang/RankSEG-DEP.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Flow Matching under Noisy Latent Structure: Beyond Exact Low-Dimensional Support

Flow Matching (FM) learns a velocity field whose ODE transports a simple source distribution to a target law. Existing finite-sample theory largely treats ambient-space regularity or data supported exactly on low-dimensional sets. We study linear FM under a noisy latent-generator model, where a low-dimensional Hölder map is perturbed by nondegenerate ambient Gaussian noise, so the target law is full-dimensional despite its latent structure. We construct a spatially regular ReLU velocity class and establish non-asymptotic high-probability approximation and estimation bounds whose leading sample-size exponent is governed by the latent dimension rather than the ambient dimension, with ambient and noise dependence kept explicit. Fixed positive target noise keeps the interpolation nondegenerate over the full time interval. The same spatial regularity propagates the learned velocity error through the transport ODE, yielding a corresponding Wasserstein convergence guarantee. These results show that exact low-dimensional support is not necessary for Flow Matching to retain latent-dimensional statistical behavior.
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Machine Learning (Statistics)

Warm-starting PDE solvers with any-dimensional machine learning

Any-dimensional machine learning models, such as graph neural networks (GNNs), can be naturally trained and evaluated on inputs of different sizes and dimensions. Inspired by the GNN transferability literature, we show mathematical conditions under which a partial differential equation (PDE) learning-based solver can be trained in small dimensions and directly applied to solve a higher dimensional PDE in a zero-shot fashion. These conditions are based on symmetries in both the partial differential equation and the initial data. When the equations satisfy the symmetries but the data does not, which is the case for many PDEs arising from physics, we show that our theory gives a principled way of warm-starting low-dimensional PDE solvers for higher dimensional PDEs. We apply this method on the heat equation, Burgers' equation, and the compressible Navier–Stokes equations, improving the performance in both zero-shot and typical training regimes on high dimensional data. For example, we train a surrogate model on 2D Navier–Stokes data and achieve better results on 3D test data than a baseline surrogate model trained on 3D data, while only using 12$\%$ of the flops and 20$\%$ of the total data size.
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All authors Wilson G. Gregory, George A. Kevrekidis, Ben Blum-Smith, Soledad Villar

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

Amortized Data Borrowing with Exchangeability-Aware Neural Posterior Estimation

Augmenting small concurrent studies with external or historical cohorts is attractive in drug development, where enrollment is slow, follow-up is expensive, and closely related trial or real-world data are often already available. Bayesian dynamic borrowing (BDB) provides a principled framework for adaptively controlling the influence of external data, but classical implementations often depend on hand-specified priors and MCMC-based inference, which can be computationally expensive and not generalizable. In this work, we study amortized neural posterior estimation (NPE) as a flexible alternative. A single network is pretrained on simulated current/external dataset pairs spanning covariate shift, outcome drift, and joint non-exchangeability, and then returns an approximate posterior for a scalar current-study target in a single forward pass. Through simulation studies, we find that NPE is most useful under outcome drift and joint mismatch: in the harder outcome-drift regimes, it gives up to about five-fold lower absolute bias than the best classical baseline and keeps Type I error close to nominal. After pretraining, posterior summaries are obtained in about 8 ms per dataset, roughly $10^3\times$ faster than MCMC-based borrowing baselines in our timing experiment. We further analyze Alzheimer's Disease Neuroimaging Initiative (ADNI) data and show that, when mild cognitive impairment outcomes differ across cohorts, the NPE formulation recovers the later-cohort risk level in this example without claiming greater precision. Code is available at https://github.com/ChinHungScott/NPE-for-Bayesian-Dynamic-Borrowing-MLHC-.
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Machine Learning (Statistics)

Near-Minimax-Optimal Rates for Asynchronous TD Learning with Markovian Data

We study the last iterate of standard importance-weighted temporal-difference (TD) learning from a single trajectory of a finite Markov decision process. The trajectory follows a behavior policy $b$ with an irreducible, possibly periodic state chain; a target policy $\pi$ covered by $b$ is evaluated with action importance ratios bounded by $\varrho$. Write $H=(1-\gamma)^{-1}$, with $\mu_{\min}$ the minimum stationary probability and $\mathfrak h_\star$ the largest expected hitting time of the reverse behavior state chain. We prove that the last iterate achieves sup-norm error at most $\varepsilon$ with high probability after $\widetilde O(\varrho H^3/(\mu_{\min}\varepsilon^2)+\mathfrak h_\star)$ transitions for $0<\varepsilon\le1$. The statistical term retains the cubic effective-horizon dependence of synchronous TD, while the initialization cost is additive in $\mathfrak h_\star$. Setting $b=\pi$ and $\varrho=1$ recovers the on-policy rate. For aperiodic behavior chains, $\mathfrak h_\star=\widetilde O(t_{\rm mix}/\mu_{\min})$ recovers a mixing-time bound. The proof combines an anchored local Poisson equation in reverse time to control fluctuations without a mixing-time factor, a compensation argument for successive hitting costs, and an expected cumulative propagation mass bound for decreasing step sizes. Given the policy ratios and their bound, an empirical state-count rule attains the same rate without prior knowledge of model parameters. The framework covers nonnegative affine importance-weighted prediction updates, including successor features, transition-dependent discounting, and coupled finite-mode predictions. A perturbation estimate yields a time-uniform guarantee for online return-variance estimation. A three-state, two-action construction gives matching minimax lower bounds for both terms up to logarithmic factors on the considered parameter classes.
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Machine Learning (Statistics) · Cross-listed from econ.EM

Optimal Allocation and Volume under Surface

This paper develops a framework for estimation and inference on the volumes of sets that are projections of critical function sets, focusing particularly on the convex body beneath the optimal receiver operating characteristic (ROC) surface. Specifically, we propose a volume calculation method that first uses an Aumann expectation representation and then applies Minkowski mixed volumes. Using this framework, we show that the population volume under the ROC surface (VUS) is proportional to the expectation of a symmetric U-statistic kernel. We then propose a double/debiased machine learning estimator of the VUS, derive its asymptotic properties, and develop an inference procedure. Further applications of this framework include an analysis of the feasible error set across pre-defined groups and a natural generalization of the Gini coefficient for measuring inequality.
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All authors Kai Feng, Han Hong, Jessie Li, Wenshi Wei

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

Optimal VC Dimension of Contrastive Learning with Margin

Contrastive learning is a successful paradigm for learning $d$-dimensional geometric representations from a collection of “anchor–positive–negative” triplets $(i,j^{+},k^{-})$, indicating that “item $i$ is closer to $j$ than to $k$.” Despite its success, understanding why contrastive learning leads to representations of high generalization quality—beyond the often pessimistic predictions from PAC-learning—remains a central question. Recently, \citet*{alon2024optimal} proved that, for PAC-learning $d$-dimensional Euclidean representations of $n$-point datasets, $\Theta(\min(nd, n^2))$ triplets are necessary and sufficient, while they posed as an open question whether their VC dimension bounds for the more realistic setting of contrastive learning with a margin can be improved. For a margin parameter $\alpha >0$, a triplet $(i,j^{+},k^{-})_{\alpha}$ is satisfied by the embedding $\phi:[n]\rightarrow \mathbb{R}^{d}$, if $\|\phi(i)-\phi(k)\|_2>(1+\alpha)\cdot\|\phi(i)-\phi(j)\|_2$. In this work, we resolve their question by proving that the VC dimension of contrastive learning under any margin $\alpha\in(0,1)$ is in fact $O(n/\alpha^2)$, improving on the previous bound of $O(n\log(n)/\alpha^2)$. We also establish that the bounds are optimal up to constant factors, by providing a matching lower bound of $\Omega(\frac{n}{\alpha^2})$ (the previously known lower bound was $\Omega(\frac{n}{\alpha})$), for $\alpha\geq \max(n^{-1/2},d^{-1/2})$.
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All authors Dionysis Arvanitakis, Vaggos Chatziafratis, Yiyuan Luo, Konstantin Makarychev

Tuesday 29 September

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

Understanding Off- vs On-Policy Distillation: A Tale of Distinct Training Objectives

On-policy distillation (OPD) learns from teacher feedback on student-generated responses and has shown promise in reducing forgetting relative to supervised fine-tuning (SFT). However, its benefits and fragility remain incompletely understood. We study sequential distillation from multiple teachers, where the student minimizes its average divergence from the teachers. Forward Kullback–Leibler (KL) divergence yields a weighted arithmetic mixture, while reverse KL yields a normalized weighted geometric aggregate. We develop algorithms that learn these targets under off-policy and on-policy feedback, respectively, establishing logarithmic regret bounds in the tabular setting and extending the analysis to function approximation. By analyzing these aggregation targets, we identify mechanisms that help explain both the benefits and fragility of OPD. Relative to forward KL, reverse KL can better retain a confident expert's preferences under uninformative feedback, but is more sensitive to teachers that assign very low probabilities to correct responses. Its token-level conditionals also reveal a dependence on continuation distributions that can favor incorrect prefixes over long horizons.
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All authors Qiwei Di, Xuheng Li, Kaixuan Ji, Chenggong Zhang, Heyang Zhao, Quanquan Gu

Machine Learning (Statistics)

Bandits with Multiple Optimal Arms: Minimax Regret and Non-Adaptivity

We study multi-armed bandits (MAB) with multiple optimal arms, motivated by the fact that many practical decision making problems admit multiple correct answers. For $K$-armed bandits with $A$ optimal arms, we first provide a sharper analysis of previous sub-sampling algorithms (De Heide et al., 2021; Zhu and Nowak, 2020), establishing a $\tilde{O}\Big(\frac{K-A}{\sqrt{KA}}\sqrt{T} \Big)$ minimax regret, where $T$ is the total number of interactions and $\tilde O(\cdot)$ drops all constant and logarithmic factors, improving the previous $\tilde{O}(\sqrt{KT/A})$ regret. We then provide a matching lower bound up to logarithmic factors, indicating that our established rate is nearly minimax-optimal. We further show that the knowledge of $A$ up to $\tilde{O}(1)$ factors is necessary to achieve near-optimal regret, as near-optimal algorithms for one number of optimal arms must incur substantially larger regret than optimal regret for a smaller number. Overall, our results provide a comprehensive minimax characterization of $K$-armed bandits with $A$ over the entire range of $1 \leq A \leq K-1$.
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All authors Kaixuan Ji, Qiwei Di, Qingyue Zhao, Heyang Zhao, Quanquan Gu

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

Adaptive mixture variational inference for spike-and-slab regression

Correlated predictors can support competing sparse explanations with similar predictions, making joint uncertainty about variable inclusion difficult to capture with mean-field approximations. We develop an adaptive fitting procedure for mixtures of product distributions in Gaussian regression with a point-mass spike-and-slab prior. It minimizes reverse Kullback-Leibler divergence directly on inclusion indicators and active coefficients, jointly refining component parameters and weights as the mixture grows. This avoids an additional divergence penalty on unused latent coefficients under independent augmentation. Our analysis relates approximation accuracy to mixture size, support coverage and dependence within supports, and establishes contraction, selection consistency and a Bernstein-von Mises approximation under explicit conditions on the prior, posterior concentration and variational error. On all 250 simulated datasets with exact posterior references, mixtures reduce errors in inclusion probabilities, grouped support probabilities and coefficient covariance relative to multistart mean field. Comparisons at fixed mixture size and common initialization favor direct joint refinement over augmented or restricted refinement in posterior divergence. Complete stagewise fitting can nevertheless be more accurate near collinearity. The results support direct joint refinement for posterior approximation while showing that local gains do not ensure superiority of the full adaptive search.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Learning-Enabled Estimation: Tight Characterizations under Sample Selection Biases

When can we learn from biased samples? We study regression when outcomes are observed only after passing through selection filters that depend on both covariates and outcomes themselves, a ubiquitous challenge spanning clinical trials with patient dropout, labor markets with self-selection, and auctions with strategic entry. Ignoring such selection yields systematically biased conclusions with real-world consequences. This challenge has a long history in econometrics and statistics, starting with Heckman's seminal two-stage model and followed by numerous generalizations. While these works provide various sufficient conditions for identification, a complete characterization of when such regression is possible has remained elusive. In this work, we provide a characterization for when regression is possible in the presence of sample selection bias. Our results establish the minimal assumptions required on the functional forms of selection processes under which regression remains possible, which are particularly relevant in modern settings where selection mechanisms are increasingly complex and opaque. As a corollary of our characterization, we show that there are settings where the regression function can be identified even when the selection filter itself cannot. This observation already goes beyond the “estimate selection filter, then debias regression” paradigm that is followed by virtually all existing approaches. Under natural strengthenings of our identification conditions, we also establish finite-sample estimation guarantees with explicit convergence rates and provide oracle-efficient algorithms. This yields the first general-purpose estimation method for this broad class of selection problems. Finally, we explore the implications of our results for several well-studied econometric settings with complex selection mechanisms such as auctions with entry costs and labor markets.
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All authors Vikram Kher, Jane H. Lee, Anay Mehrotra, Manolis Zampetakis

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

Towards Universal Wasserstein Barycenters through Flow Matching

Defining a weighted mean over probability measures under probability metrics is a central tool in probabilistic machine learning. Under the Wasserstein metric, these are called Wasserstein barycenters. While most approaches compute barycenters for a fixed weight vector, approximating the whole family of barycenters over the simplex, which we call the Wasserstein simplex, remains underexplored. We refer to this problem as Universal Barycenter Approximation, and propose BaryFM, a flow matching model transporting the marginal measures into any barycenter in the Wasserstein simplex. Once trained, the network can draw samples from measures in the Wasserstein simplex through an ordinary differential equation. We validate our method on 4 downstream tasks: domain adaptation, generalization, Bayesian posterior aggregation and algorithmic fairness. BaryFM achieves the best average rank among 15 competing methods across 10 domain adaptation benchmarks, matching or surpassing non-universal solvers.
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Machine Learning (Statistics)

Generative sequence modeling for infinite memory processes via predictive states

We consider estimating the one-step-ahead conditional distribution of a multivariate stochastic process. Many existing approaches rely on assumptions such as finite-range memory, sparsity, or additivity, which can be poorly suited to processes with long-range nonlinear interactions. However, without such structural assumptions, nonparametric estimation is challenging due to the curse of dimensionality. To address this challenge, we introduce a new estimation approach based on the predictive states of a process, possibly with infinite-range memory. We show that our estimator achieves fast convergence rates when the past history can be compressed into a low-dimensional statistic that is sufficient for predicting the future. Specifically, we show that the statistical complexity of the estimation problem is determined by the intrinsic dimension of the predictive state space. We establish guarantees for an instantiation of our method based on deep neural network estimators, and we support these theoretical results with experiments.
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Machine Learning (Statistics) · Cross-listed from cs.LG

ShamAN-Q: Shampoo Augmented NanoQuant for Sub-1-bit LLM Weights

We introduce ShamAN-Q, a sub-1-bit post-training quantization method that extends NanoQuant by replacing each its diagonal reconstruction geometry with a tractable dense curvature metric, using a general paradigm popularized by the Shampoo optimizer. For each linear weight, ShamAN-Q fits a Kronecker product to the empirical Fisher information matrix of a small calibration set by Kullback–Leibler minimization, forming a Mahalanobis reconstruction loss from the result. The continuous ADMM updates from NanoQuant become solutions to Sylvester equations, while its discrete projection and deployment format remain unchanged. Because the curvature is local to a given set of weights, ShamAN-Q re-measures the input curvature statistic for each layer immediately before layer factorization, periodically refreshing all statistics on the partially quantized model. ShamAN-Q also redistributes the uniform rank from NanoQuant across layers at the same total number of bits. On Qwen3-Base, ShamAN-Q lowers WikiText-2 perplexity at $\approx$1 bpw from 27.56 to 22.96 (0.6B), 19.21 to 16.72 (1.7B), and 14.29 to 13.80 (4B) while matching or improving zero-shot accuracy on the Eleuther LM Evaluation Harness. On 0.6B, ShamAN-Q at $\approx$0.8 bpw matches the published perplexity of NanoQuant at $\approx$1.0 bpw.
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All authors Jonathan Mei, Sang Hyub Kim, Oliver Knitter, Chi Chen, Martin Roetteler

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

Grokking through the Lens of Minimum-Norm Interpolation

Grokking shows that fitting the training data and learning the underlying signal can occur at very different stages. However, existing theories offer limited quantitative insight into how this delayed generalization depends on inductive bias and signal structure. Our work addresses the gap by developing a statistical theory that characterizes how regularization geometry and signal sparsity govern generalization near interpolation. In particular, we focus on the prototypical setting of high-dimensional regression and identify regimes in which sparsity-promoting regularization makes exact interpolation much more accurate than approximate fitting. In strongly overparameterized noiseless problems, we prove a zero–one generalization law and construct a family of convex norms whose interpolators transition from the trivial risk of the all-zero predictor to exact recovery, while keeping the training error equal to $0$. Furthermore, when feature dimension and sample size are proportional, we provide a precise characterization of training and generalization errors along $\ell_r$-regularization paths. This in turn allows us to quantify the generalization gain that remains near interpolation: we show that this gain increases as the norm becomes more sparsity-promoting and as the target becomes sparser, with a sharp drop in generalization reached for noiseless data and $\ell_1$ regularization. Experiments on diagonal linear networks and transformers trained on modular arithmetic demonstrate the generality of our theoretical predictions. Finally, beyond grokking, our work reveals a statistical instability in minimum-norm interpolation: small perturbations in the regularization strength can lead to drastically different generalization, while preserving small training error.
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All authors Gil Kur, Ileana Rugina, Clémentine Carla Juliette Dominé, Marco Mondelli

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

Local polynomial density ratio estimation

We propose a novel local-polynomial estimator of the ratio $r=f/g$ of two $d$-dimensional densities $f$ and $g$, from which independent samples are available. The estimator is shown to achieve pointwise minimax optimal rates over Hölder classes of arbitrary smoothness index without additional logarithmic factors, and with smoothness being only assumed of $r$ but not of $f$ nor $g$. Our analysis remains valid for points on the boundary of the support of the distribution associated to $g$ under a mild geometric assumption on the (unknown) boundary. We also derive a concentration inequality for the estimator, which can be useful in applications to classification, and give a rate in the supremum norm, where the supremum is also taken over boundary support points. The smoothness class over which the rate is obtained is sufficiently large that the individual densities $f$ and $g$ cannot be consistently estimated uniformly over this class. Direct estimators of the partial derivatives of $r$ together with rates of convergence are also provided. We also obtain asymptotic normality of the estimators under quite general assumptions and again including boundary points, with a consistent variance estimator allowing for data-driven studentization. Moreover, we show how our estimator can be used to estimate the Kullback-Leibler information, in a construction which additionally uses debiasing. We provide the parametric rate together with asymptotic normality under sufficient smoothness of $r$ relative to the dimension $d$.
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Machine Learning (Statistics) · Cross-listed from quant-ph

Advantage of Sample Complexity in Quantum PAC Learning Requires Inverse Access to State-Preparation Unitaries

Whether quantum computation can reduce the amount of data sampled from an unknown probability distribution required to learn a prediction rule is a fundamental question in quantum machine learning. Quantum PAC learning studies this question using quantum data as a quantum state whose squared amplitudes encode the unknown distribution from which classical learning data are sampled. With only copies of such quantum data, the optimal worst-case sample complexity asymptotically matches that of classical PAC learning. In contrast, access to both a state-preparation unitary for this state and its inverse can improve the query-complexity dependence on the accuracy parameter in realizable learning. However, it has remained unclear whether forward-only access allows such an improvement. In this work, taking the worst case over compatible state-preparation unitaries and their finite ambient dimensions, we show that the optimal forward-only query complexities of realizable and agnostic learning are, respectively, $\Theta((d+\log(1/\delta))/\varepsilon)$ and $\Theta((d+\log(1/\delta))/\varepsilon^2)$, where $d$ is the VC dimension of the concept class, $\varepsilon$ the accuracy parameter, and $\delta$ the failure probability. These bounds match the optimal sample complexities with classical data or quantum data copies. To prove them, we establish a reduction using $q$ copies of the prepared state to approximate the Haar-averaged output of any $q$-query forward-only algorithm. These results show that forward-only access cannot provide an asymptotic query-complexity advantage over learning from classical data or quantum data copies in this worst-case setting, and establish the essential role of inverse access in the known realizable-setting improvement. Our reduction also provides a new framework for analyzing limitations of forward state-preparation access via state-copy lower bounds.
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Machine Learning (Statistics) · Cross-listed from astro-ph.IM

PTED: A multi-dimensional two-sample test for scientific inference and generative machine learning

Two-sample tests are widely applicable in inference and generative modelling, yet users frequently fall back on heuristics and visual inspection due to lack of an accessible test that operates in multiple dimensions. I present Permutation Test using the Energy Distance (PTED), a Python implementation of a powerful two-sample test described in Székely and Rizzo [2004]. The test statistic is the energy distance, a metric on probability distributions that admits a natural sample estimator built from pairwise distances. A permutation test is run on energy distances to produce an exact two-sample test. Because the statistic depends on the data only through pairwise distances, the test applies in high dimensions, on learned feature representations, at large or small or imbalanced sample sizes, and to any data type on which a distance can be defined. An approximation to the formula allows PTED to scale linearly with both number of dimensions and samples while retaining most discriminative power. I highlight a number of instructive sensitivity tests on PTED alongside other multi-dimensional two-sample tests for comparison. PTED is the only method that is sensitive to all tests, though conventional Maximum Mean Discrepancy is identical for all but an over-fitting test.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Learning to Plan from Random Exploration

Random exploration reveals how an environment can be traversed before a goal is specified. Can this experience support long-range planning without policy-improvement training? Our random-walk analysis explains what temporal relations contain: short horizons reveal geodesic geometry in the diffusion limit, while longer horizons reveal connectivity between regions before mixing removes these distinctions. We learn these relations with a conditional energy-based model that estimates temporal log-density ratios through horizon-conditioned embeddings. The model is trained on observation pairs by noise-contrastive estimation, without action or reward labels. The planner queries these learned relations at different horizons as it moves toward the goal. At test time, a separate local dynamics model predicts candidate action outcomes, and the temporal model evaluates their progress toward the goal by selecting or aggregating estimated improvements across horizons. The agent executes one action and replans with both models fixed. Experiments demonstrate long-range maze planning from random exploration using states and images. Learned score fields, embedding probes, and planned routes exhibit properties of a multiscale cognitive map. We further demonstrate egocentric navigation from random exploration and manipulation planning from suboptimal data.
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All authors Deqian Kong, Guangyan Sun, Sheng Cheng, Sirui Xie, Bo Pang, Jianwen Xie, Tony Geng, Caiwen Ding, Ying Nian Wu

Machine Learning (Statistics)

Lower Bounds for Linear-Oracle Online Learning

Can a constant number of linear minimizations per round improve on the $T^{3/4}$ regret rate of online Frank-Wolfe on general convex sets? Weibel et al. conjectured that fixed-coefficient methods cannot. We prove their conjecture and extend the lower bound to every deterministic learner in an oracle-only model. The learner receives an initial feasible point and a diameter bound, and must remain feasible on every domain consistent with its oracle replies. For $T$ rounds, at most $b$ calls between decisions, diameter bound $D$, and gradient norm bound $L$, we construct an instance in dimension $d=2b(T-1)+1$ with regret at least $2^{-1/4}LDb^{-1/4}T^{3/4}$. The adversary fixes the domain, initial point, deterministic tie rule and linear losses before play. The vertices form a path on which every point available before a decision has zero current loss, while the final vertex has negative loss on every round. For constant $b$, the result matches the known upper rate for dimension-independent guarantees. For one-call fixed schedules with a nonzero coefficient on the newest gradient, a second construction gives regret at least $3LDT^{3/4}/4$ with unique minimizers at every issued query. Exact-arithmetic certificates for the tuned schedule of Weibel et al. closely match their finite-horizon numerical worst cases, with unique oracle replies.
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Machine Learning (Statistics)

Acceleration of Diffusion Language Model through Discrete Average Generator

Discrete diffusion models and flow matching have emerged as powerful frameworks for generative modeling over discrete state spaces, yet efficient few-step generation remains a fundamental challenge. In this work, we introduce the Discrete Average Generator, a principled extension of MeanFlow to Continuous-Time Markov Chains (CTMCs). Analogously to how MeanFlow defines an average velocity field over a time interval in continuous spaces, we define an average generator as the normalized increment of the transition kernel over a time interval. We show that this average generator satisfies a self-consistency identity, which provides the foundation for our training objective. We further develop training strategies that align with the standard training paradigm of diffusion language models while keeping the resulting objective tractable. When projected onto per-coordinate marginals, the self-consistency identity admits a closed-form expression, enabling efficient training and inference. In Potts model simulations, our objective reduces the total variation distance of the $K$-step sampler by up to 67%. On OpenWebText, our method achieves the lowest generative perplexity among the evaluated methods for 8 to 64 sampling steps while enabling a $16\times$ acceleration, and achieves comparable performance to existing methods on ImageNet.
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All authors Yidong Ouyang, Zhengyan Wan, Themis Haris, Tian Tan, Liqian Peng, Henry Li, Ziqian Lin, Jianhang Chen, Maryam Karimzadehgan, Alec Go, George Michailidis

Machine Learning (Statistics)

Robust LassoNet: Enhancing Feature Selection in Neural Networks via Robust Loss Functions

Feature selection in neural networks remains a challenging problem, particularly in the presence of noisy or contaminated data. LassoNet is a recent approach that addresses this issue by combining neural networks with hierarchical sparsity constraints, enabling simultaneous prediction and variable selection. However, its standard formulation relies on the mean squared error (MSE) loss, which is known to be highly sensitive to outliers. In this paper, we present Robust LassoNet, an extension of LassoNet that incorporates robust loss functions, such as Huber, Cauchy, Tukey's bisquare, and Nonnegative Garrote, to mitigate the effect of extreme observations. The proposed approach preserves the original optimization framework while improving stability under data contamination. Through experiments on synthetic and real datasets, we show that robust LassoNet significantly improves both predictive performance and feature selection accuracy in the presence of outliers or heavy tailed noise, while maintaining comparable performance in clean settings. These results highlight the importance of robustness in neural network based feature selection and suggest practical guidelines for choosing appropriate loss functions.
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Machine Learning (Statistics)

ReCIRC: Rectified Conformal Risk Control

Many applications of black-box predictive models require controlling task-relevant error rates, such as missed lesion pixels in segmentation or missed labels in multilabel classification. Conformal risk control (CRC; Angelopoulos et al., arXiv:2208.02814) gives distribution-free guarantees for such losses, but it calibrates a single threshold shared by all inputs. Because conditional risk varies with the input, this marginal guarantee often overprotects easy cases and underprotects hard ones. We propose ReCIRC (Rectified Conformal Risk Control), which inverts each input's estimated local risk curve to reparameterize the calibrated threshold as a risk budget $a$ representing a common target conditional risk, and then applies CRC unchanged to the resulting family. ReCIRC retains CRC's finite-sample marginal guarantee regardless of the accuracy of the estimated curves, while accurate curves yield approximate conditional risk control and, under additional conditions, asymptotically exact conditional risk control; they also support a risk-calibration diagnostic. Across three synthetic and five real-data settings spanning segmentation, multilabel and multiclass classification, and regression, ReCIRC attained the lowest average worst-group risk and mean positive group excess in every setting, while maintaining marginal risk close to the target, whereas changes in prediction size were application-dependent.
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All authors Bruno Marcondes e Resende, Helton Graziadei, Thiago Rodrigo Ramos, Rafael Izbicki

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

Traversing the solution space of neural networks with Hessian Null Space Continuation

On a single task, deep networks can learn many solutions, depending on their optimizer, training data, architecture, and hyperparameters. Many of these solutions are mode-connected: rather than isolated points in weight space, they are connected by low-loss regions. Yet how their internal computation varies within these regions is unknown. A parallel line of work has identified the degeneracy of neural representations: many networks reach similar training loss with distinct internal structures. However, it is unclear how these solutions are related in weight space. We unify these subfields and show for the first time that many different internal mechanisms exist within a local mode-connected region in weight space. To do so, we introduce Hessian Null Space Continuation (HNC), a scalable method that uses local curvature to traverse regions of weight space that preserve network function, and can be steered toward solutions with specified properties. In RNNs trained on a memory task, HNC reaches drastically different representations and dynamics with maintained behavior. In ImageNet-trained Vision Transformers, HNC finds representations that differ more from the original network than any independently trained model with a different architecture or objective. In reinforcement-learning agents, HNC uncovers a distinct navigation strategy at comparable return and exposes reward hacking in an AI Safety Gridworld. Finally, HNC measures the local geometry of the solution set, showing how model size and task complexity shape its dimension and functional sensitivity. Our results show that a surprisingly large amount of representational diversity exists near a single trained solution, unseen by standard gradient-based optimization. HNC identifies and quantifies this diversity, opening new possibilities for mechanistic understanding of solution spaces and for model merging, editing, and fine-tuning.
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All authors Ann Huang, Mitchell Ostrow, Zhouyang Lu, William T. Redman, Leo Kozachkov, Kanaka Rajan

Machine Learning (Statistics)

Latent Inference-Time Guidance of Time Series Foundation Models

Time Series Foundation Models (TSFMs) currently provide state-of-the-art results in forecasting tasks. They are available out-of-the-box and rely on in-context learning to make their predictions, which makes the quality of their performance highly sensitive to the user-selected lookback, covariates, horizon and training data distributions. In practise, the quality of the forecasts are variable but complementary, which highlights the need for a principled ensembling approach, rather than selecting the best context. This paper introduces Latent Inference-Time Guidance for TSFMs, which adaptively combines a pool of TSFM forecasts through a time-dependent latent space with independent components. The framework comes equipped with identifiability and reconstruction guarantees, whilst maintaining the off-the-shelf aspect of foundation models. We provide experiments on datasets at various frequencies and from multiple domains: these show that the approach is competitive with traditional ensembling approaches.
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All authors Chloé Hashimoto-Cullen, Amaury Durand, Laurent Bozzi, Benjamin Guedj, Yannig Goude, Sylvain Le Corff

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

When do data mixtures improve scaling laws? Insights from high-dimensional regression

Modern machine learning systems are trained on mixtures of data from different domains, and choosing the right mixture can substantially improve downstream performance. Despite an extensive literature on data mixing and reweighting, existing work is largely empirical and it remains unclear when auxiliary data genuinely improves scaling laws rather than merely providing more samples. To gain insight into this question, we study a high-dimensional mixed-data regression model with a shared regression function, heterogeneous covariances and noise levels, and dataset sizes that may grow at different rates. We establish the minimax risk under an ellipsoidal parameter constraint for the general covariance structure and derive deterministic equivalents for the test error of ridge regression under commutative covariances. We then specialize to a target domain and an auxiliary domain with aligned power-law covariance spectra, where the theory yields explicit scaling laws in terms of spectral decay, target regularity, and the relative growth of the two datasets. These laws identify regimes in which combining data mixtures provably yields a faster scaling rate than using either dataset alone. In particular, improving the scaling law requires a specific interplay between spectra and relative sample sizes of the domains. Our numerical experiments on language models exhibit the same qualitative phenomenon: appropriate data mixtures yield a faster decrease in target-domain test loss than training on either domain alone.
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All authors Diyuan Wu, Lehan Chen, Theodor Misiakiewicz, Marco Mondelli