Machine Learning (Statistics)
Stability-Constrained Approximation in Spline KANs: Exact Layer Balancing and Budget-Compatible Saturation
Aleksander Tankman
Deep spline superposition networks face a tension between approximation order and stability across depth. We study approximation under a hard layerwise Lipschitz budget, and organise it around two quantities: the factorisation stability complexity of a given deep factorisation, and the budget-compatible approximation complexity of a discretisation operator. First, we solve exactly the finite-depth diagonal balancing problem for a fixed chain of nonnegative envelope
matrices: the optimal uniform layer budget equals $\|M_{L-1}\cdots M_0\|_{\infty\to\infty}^{1/L}$, attained by an explicit one-pass minimiser, for rectangular layers, with a complete treatment of degeneracies and non-attainment. The optimum can be arbitrarily larger than the Lipschitz constant of the network itself, because passing to envelopes destroys sign cancellation. Second, we give a constructive spline discretisation
theorem preserving the budget up to a controlled slack, with an explicit grid threshold. Conversely, for linear spline-valued operators that preserve the budget exactly, we prove budget-compatible minimax lower bounds on classes constrained simultaneously in the first and third derivative norms – a constraint pair that is forced by the problem and that rules out the usual scaling escapes. Finally, we show that the corresponding layer errors need not cancel under composition: for every operator of the class there is a stable depth-$L$ tower realising a constant fraction of the accumulated error, so the linear-in-depth accumulation of the upper bound is not a proof artefact.
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Machine Learning (Statistics)
Learned Look-Ahead Splitting Rule for CART
Andrew Gao, Tianlin Liu, Ruichen Han et al. (+1 more)
Classification and regression trees are typically constructed using a greedy splitting rule that maximizes the immediate reduction in prediction error at each node. Although this strategy is computationally efficient, it can miss splits that yield small short-term gains but create substantial downstream improvements after further partitioning. We propose a look-ahead tree-building method that evaluates each candidate split by the prediction error reduction achieved after growing a conventional CART subtree below that split. Because the full look-ahead procedure can be computationally expensive, we also describe a smart look-ahead
algorithm that learns downstream split values using node-level features. The proposed framework preserves the interpretability of recursive partitioning while improving split selection in hierarchical or interaction-driven settings. We conduct a simulation study comparing conventional, full look-ahead, and smart look-ahead methods under several settings and apply the proposed methods to analyze two real data examples demonstrating the merit of the new methods.
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All authors Andrew Gao, Tianlin Liu, Ruichen Han, Lu Tian
Machine Learning (Statistics) · Cross-listed from cs.LG
Bounded Adjustment with Reliability-Guided Embedding for Imbalanced Learning with Noisy Labels
Mushir Akhtar, Akarsh J., M. Tanveer et al. (+1 more)
Class-balanced learning and label noise create a coupled failure mode: frequency correction prevents majority classes from dominating the decision rule, but can amplify incorrectly labeled minority examples. We introduce BARGE (Bounded Adjustment with Reliability-Guided
Embeddings), a single-stage objective combining a bounded, prior-adjusted density-power score with reliability-guided angular geometry. Its classification score is strictly proper in the adjusted probability space and recovers balanced Bayes ordering under clean supervision and the true class prior. Under label contamination, its finite range bounds classification-risk perturbation at a fixed predictor, while its logit gradient redescends when the model confidently contradicts the supplied label. The adjusted target probability also weights class-equal feature compactness, and a one-sided separation term discourages aligned class directions. BARGE requires neither a noise rate nor a transition
matrix, uses one network, and leaves inference unchanged. We evaluate it on CIFAR-10, CIFAR-100, and Tiny ImageNet under long-tail and step imbalance, clean labels, and 20% and 40% random incorrect-label replacement. Across 12 clean settings, BARGE ranks second overall and attains the lowest error in four. Under corruption, it achieves the lowest mean balanced error in all six
dataset-corruption settings, reducing the six-setting average from 72.32% for the strongest competitor to 70.00%. It also obtains the highest macro-F1 and macro-AUPRC in every corrupted-label setting. Ablations show that class-equal angular compactness improves on the bounded score alone. These results support bounded predictive influence and reliability-guided geometry as complementary mechanisms for imbalanced learning with uncertain labels.
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All authors Mushir Akhtar, Akarsh J., M. Tanveer, Mohd. Arshad
Machine Learning (Statistics)
Mini-batch Sampling Strategies for Long-Tailed Image Classification: An Empirical Study on CIFAR-100-LT
Siyu Yuan
Real-world
datasets often exhibit long-tailed class distributions, where a few head classes contain a large number of training samples while a large number of tail classes have only a few. The composition of each mini-batch, determined by the sampling strategy, governs which classes contribute to the
stochastic gradient estimate, and therefore affects convergence behaviour and generalisation across the whole class spectrum. We provide a systematic theoretical and empirical comparison of four mini-batch sampling strategies for long-tailed image classification: uniform instance sampling, class-balanced sampling, square-root sampling, and progressively balanced sampling. We place all four in a unified bias-variance framework describing their effect on gradient estimation, which exposes the tension between unbiased optimisation of the empirical loss and fair representation of rare classes. We then evaluate them under controlled conditions using ResNet-32 on CIFAR-100-LT at three imbalance ratios (rho = 10, 50, 100), with every strategy sharing the same long-tailed subsets and initialisation within a seed. Progressive sampling improves tail-class accuracy by 25% relative to the uniform baseline at rho = 100 (13.5% versus 10.8%), consistently across all three seeds, while its overall accuracy is not distinguishable from that of uniform sampling given the seed-to-seed variation (40.0% versus 39.7%); the tail-class gain, not the overall gain, is the robust effect. At rho = 100, class-balanced sampling degrades accuracy on every class group, including the tail classes it is designed to help, which we attribute to overfitting caused by extreme oversampling of scarce data; at rho = 50 this failure is confined to head and medium classes. These results indicate that when rebalancing is applied during training matters as much as how much rebalancing is applied.
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Machine Learning (Statistics)
Compute-Optimal Pretrain–Fine-tune in Ridge Gradient Descent
Alex Buna, Fanghui Liu and Patrick Rebeschini
Pretraining followed by fine-tuning introduces a compute-allocation problem: under a fixed training budget, compute spent improving the upstream objective reduces the compute available for downstream adaptation. Despite its practical importance, this trade-off is not yet well understood theoretically, even in simple models. In this paper, we cast this allocation as a compute-split problem under a two-stage pretrain–fine-tune procedure with fixed total optimisation budget, using regularised least squares trained by gradient descent as a tractable setting. We characterise the optimal split under data-dependent evaluation geometries induced by the fine-tuning problem. Our results show that the allocation depends on how pretraining directions affect fine-tuning predictions and how fine-tuning shifts are seen through downstream data geometry. In particular, the relevant quantities are determined by prediction-relevant spectral components of the pretraining and fine-tuning empirical covariances. Technically, the analysis relies on a basis-invariant, eigenspace-level spectral decomposition, together with perturbative control of the non-commuting pretraining and fine-tuning dynamics.
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Machine Learning (Statistics)
Copula Adapted Directed Acyclic Graph for Cluster Representation of Biomedical Data
Heranga K. Rathnasekara, Norou Diawara and Manar D. Samad
Diagnostic errors and mislabeling are common in biomedicine, which compromise the reliability of predictive models and data-driven outcomes. Stratifying unlabeled biomedical data based on complex relationships between features eliminates the need for data labels and overcomes the limitations of supervised learning. Traditional clustering methods assume restrictive data distributions, making them suboptimal for capturing complex dependencies in high-dimensional biomedical data. This paper introduces a novel cluster-friendly data presentation framework that integrates the non-Gaussian and non-linear feature dependence of copula models with an ensemble of causal structure discovery (CSD) methods based on Directed Acyclic Graphs (DAGs). While copulas model flexible multivariate distributions by relaxing assumptions related to multivariate normality, linear dependence, and symmetric relationships, an ensemble of DAG-based CSD methods identifies stable causal relationships between features. When clustered using K-means, the new data representation obtained by the proposed copula-adapted DAG (CopDAG) ranks first among the 12 methods in normalized clustering accuracy and adjusted Rand index across 16 biomedical
datasets. Our CopDAG method predicts ground-truth class labels directly from feature relationships without data annotations and supervised learning, while also providing cluster visualizations and explainable causal structures of the biomedical data features.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Skeletal Prototypes on Iterative Nerve Expansions
Jordan Eckert and Henry Schenck
Prototype reduction replaces a training set with a smaller representation, and the established methods return a finite set of points. We propose Skeletal Prototypes on Iterative Nerve Expansions (SPINE). The model for each class is an embedded 1-complex rather than a point set. Its initial edge set is a class-conditional Mapper graph, so the data decide which localized clusters are joined. Later phases fit the vertices under a classification objective, and an observation is assigned to the class whose complex is nearest. The segments therefore enter the decision rule and not only the fitting. We evaluate SPINE on seventeen
benchmark datasets under stratified 10-fold cross validation, against seven other prototype reduction methods at a matched budget. SPINE attains the highest mean accuracy and the best average rank. It is significantly better than five of the seven competitors under Wilcoxon signed-rank tests with Holm correction. A budget sweep shows that the decision rule using the entire graph segments contribute most when prototypes are scarce, while the method as a whole competes best at moderate budgets. Construction cost places SPINE with the discriminative methods, and it is faster than generalized learning vector quantization on fourteen of the seventeen
datasets.
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Machine Learning (Statistics)
Quenched Ensemble Sampling
David Yallup
Some of the sharpest challenges in sampling from the energy functions of physical systems arise at phase transitions, where the density of states changes abruptly and many sampling
algorithms stall. Nested sampling is a particle method that traverses the density of states under a hard energy constraint and is known to be robust to such transitions, but its application in high dimension is limited by the difficulty of sampling under that constraint. In this work we introduce Quenched Ensemble Sampling, which generalises the hard constraint to a family of repulsive potentials at the energy boundary. This preserves the quenched path of monotonically decreasing energy while making the constrained target amenable to scalable gradient-based kernels. We demonstrate on synthetic models of phase transitions that our method estimates the marginal likelihood and draws posterior samples across a first-order transition where popular alternatives such as tempering fail. We apply the procedure to marginal likelihood estimation in
Bayesian neural networks, enabling model comparison between network architectures. Finally, in a high-dimensional continuous
lattice field theory, we show that this method traverses a first-order transition and estimates the partition function.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Sharp Regret Bounds and a Task-Covariance Correction for Spectral Representation Learning
Dier Tang, Jing Yee Tan and Guangyue Han
Spectral features can remain optimal under strongly uneven task preferences when they retain the directions most useful to the tasks. In a local-task model, expected probing gain depends on the task prior only through its covariance $\Lambda$: with $B$ recording dependence between views, $k$ spectral features span the leading eigenspace of $BB^\top$, while task-optimal features span that of $B\Lambda B^\top$. We derive
alignment-dependent regret bounds, matching worst-case lower bounds for a flat leading spectrum, and bounds using the leading $2k$ directions with a spectral-tail term; a spectral gap makes the bound quadratic in small anisotropy. We also bound the imbalance from random preference patterns and from averaging independent tasks with an isotropic population covariance. With known $\Lambda$, changing one term of the spectral contrastive loss selects task-optimal features; with a labelled task bank, we propose a diagnostic and test correction without retraining. Correction reduces synthetic held-out regret from $0.858$ to $0.003$ with $2000$ tasks when less task-relevant directions dominate, and on CIFAR-100 lowers empirical regret by $0.031$–$0.053$ on held-out fine-label tasks using the same images. With a small task bank, however, correction can hurt.
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Machine Learning (Statistics)
Learning under Target Shift: Optimal Density Ratio Estimation and Importance-Weighted Regression
Ren-Rui Liu and Zheng-Chu Guo
We study density ratio estimation and importance-weighted regression under target shift with continuous outputs. Under target shift, the conditional distribution of the inputs given the outputs remains invariant across the training and test distributions, while the output marginal distribution may change. Although this problem has been extensively studied for discrete outputs, the continuous setting is substantially less understood: the importance weights are determined by an unknown density ratio function, for which existing estimation methods lack explicit finite-sample convergence rates. We propose a spectral regularization method in a reproducing kernel
Hilbert space (RKHS) for estimating the continuous density ratio from labeled training samples and unlabeled test inputs. Under a source condition with regularity parameter $\iota>0$, we establish high-probability finite-sample guarantees and show that the
estimator achieves the capacity-independent minimax-optimal RKHS-norm rate $O(n_\eta^{-\iota/(2\iota+2)})$. We then incorporate the estimated density ratio into importance-weighted regression and characterize the propagation of density-ratio estimation error to the final predictor. When sufficiently many samples are available for density ratio estimation, the resulting regression
estimator attains the minimax-optimal rates of standard kernel regression. These results establish a finite-sample theory for continuous density ratio estimation and importance-weighted learning under target shift.
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Machine Learning (Statistics)
Predictive Likelihood Ratios for Language Model Watermark Detection
Li Ma
Keyed watermark detection tests dependence between observed
tokens and pseudorandom variables reconstructed from a secret key. Building on the pivotal framework of Li et al. (2025), we construct predictive likelihood ratios that average over uncertain probability deficits and residual-tail distributions. The aim is robust detection power across alternative specifications without requiring a single signal-strength tuning. A mixture prior combines tail shape and effective width; hierarchical extensions allow within-document variation in deficit or width. The test maximizes prior-averaged power at a fixed size, but is not generally uniformly most powerful or minimax. Under the exact conditional pivot null, normalized predictive alternatives selected before each observation yield a Bayes factor that is also a test martingale: Type I error control is unaffected by alternative misspecification and remains valid under optional stopping. This guarantee does not cover violations of the conditional null, and the interpolated implementation has no certified anytime guarantee. Gumbel marginal likelihoods are evaluated by fixed quadrature. Across the evaluated tail-shape and tail-width alternatives and three horizons, the union-tail mixture has maximum observed Type II error regret .0080, compared with .0962 for the equal-tail mixture, relative to the best tested rule. On temperature-matched outputs from two open models, it improves AUC over the equal-tail baseline in all eight non-saturated model-temperature
cells, although the leading reference score generally has higher AUC. Supplementary experiments show retained power under independent null-like replacement and smaller changes from hierarchical dependence modeling. The evidence supports robustness across the evaluated alternatives, not uniform power guarantees or resistance to arbitrary text edits.
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Machine Learning (Statistics) · Cross-listed from stat.ME
On Detecting Multiple Simultaneous Change-points in High Dimensional Non-Stationary Time Series
Richard Song
This paper studies the detection of multiple simultaneous (systematic) change points for high-dimensional nonstantionary economic and financial time series data. The analytic framework used is based on the standard and adaptive fused group lasso method, where the mixed L_{2,1} penalty is either uniform or re-weighted by data-dependent weights. This paper shows that, under appropriate conditions, this approach is L_2 consistent and, by adopting the data-dependent weights, could correctly select the change points with probability approaching unity (L_0 consis- tency). It quantifies the conditions on the interplay among the averaged minimum magnitude of structural changes, the number of change points and the number of observations for consistently discovering the change points. The performance of this approach is illustrated via an analysis of a large panel of U.S. economic and financial time series data over the past 50 years.
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Machine Learning (Statistics)
Graph Matching Relaxations and Amortization for Supervised Graph Prediction
Federico Méndez, Paul Krzakala, Gabriel Melo et al. (+3 more)
End-to-end Supervised Graph Prediction (SGP) requires a permutation-invariant loss to compare predicted and target graphs with arbitrary node orderings. Such losses typically involve a costly graph-matching problem. We first study three Optimal Transport relaxations of this problem and show, theoretically and empirically, that the Gromov-Wasserstein (GW) objective is the most suitable for SGP. Then, to avoid solving the resulting inner optimization for every training example, we propose to amortize the graph matching (node
alignment) problem. For each training sample, the loss function leverages a transport plan provided by a parametric matcher based on the differentiable Sinkhorn
algorithm applied on empirical node distributions. The graph prediction module and the matcher are jointly learned. We showcase the efficiency of this approach on toy and real world SGP problems of increasing complexity including a novel Mass-spectra to Scaffold task that we introduce.
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All authors Federico Méndez, Paul Krzakala, Gabriel Melo, Charlotte Laclau, Rémi Flamary, Florence d'Alché-Buc
Machine Learning (Statistics)
Approximating Smooth Functionals with ReLU Networks
Shuhao Jiao
We study the uniform approximation of smooth scalar-valued functionals on an infinite-dimensional separable
Hilbert space by ReLU neural networks. A key feature in deep learning for functional data is the varying importance of different coordinates/dimensions. Representing the functional input in a basis expansion, we quantify the importance of each coordinate through both the magnitude of its corresponding basis score and the directional sensitivity of the target functional. Our analysis combines coordinate truncation, anisotropic partitioning, local Taylor approximation, and ReLU network realization, while allowing unrestricted interactions among the retained coordinates. We establish a general nonasymptotic upper bound for the uniform approximation error and a complementary pseudo-dimension-based lower bound for the worst-case approximation error. Under generalized exponential coordinate decay $w_ds_d\asymp\exp(-cd^\rho)$, with $\rho>0$, the upper and lower bounds match at the leading order, which is stretched-exponential in the logarithm of the network size budget, and thus yield the nearly optimal approximation rate. This is the first work to characterize neural network approximation error for infinite-dimensional functional inputs explicitly through the joint dimensional decay of coordinate magnitudes and directional sensitivities.
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Machine Learning (Statistics)
Conformal Individual Treatment Effect Estimation under Networked Interference
Matteo Zecchin and Osvaldo Simeone
Conformal counterfactual prediction constructs prediction sets with finite-sample coverage guarantees for counterfactual outcomes and individual treatment effects under the no-interference assumption. In this work, we relax this assumption by allowing each unit's potential outcomes to depend on other units' treatments and
covariates. In this setting, propensity-score reweighting does not restore weighted exchangeability, and existing methods may fail to achieve valid coverage. To address this issue, we develop interference-adjusted weighted conformal prediction that accounts for interference by constructing an observable upper bound on the ideal and unobserved conformal $p$-value under the target intervention. The resulting prediction sets provide finite-sample marginal coverage guarantees for counterfactual outcomes and individual treatment effects in both transductive and inductive settings. We also derive a sharper construction when intervention-induced changes in nonconformity scores are bounded. Numerical experiments show that our methods preserve nominal coverage, whereas existing methods may not.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Bandits with Probing: Optimal Regret and the Limits of Winner Feedback
Yongjie Guan
A learner probes at most $k$ of $n$ arms each round, receives the maximum of their rewards in $[0,1]$, and competes with the best fixed arm. When does the probing advantage pay for learning? We determine two minimax laws. Under independent
stochastic rewards with winner feedback (the maximum and a winning label), or on arbitrary fixed sequences given a single signed contrast between block maxima, the minimax regret has order $\Phi_{n,k}(T)=\min\{\frac{n-k}{n}T,\frac{n-k}{k}\}$, $2\le k<n$. Under winner feedback, both arbitrary joint i.i.d. rewards and fixed sequences have minimax regret of order $R_{n,k}(T)=\frac{n-k}{n}\min\{T,\frac{n+T}{k},\sqrt{\frac{nT}{k}}\}$. Both laws have universal constants and anytime upper bounds. The first reduces regret to a pure coverage cost: same-round contrasts absorb the stability cost, and independence permits exact resampling whose gains fund sample advancement. The second adds a learning cost that becomes comparable to coverage at horizon $n$; beyond $nk$, numerical maxima improve over labels alone. The lower bound allows every adaptive action size.
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