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Tuesday 6 October

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

Reinforcement Learning for Hierarchical Reasoning Rewards: Minimax-Optimal Rates with Transformers

Reinforcement learning (RL) has become a standard tool for post-training language models on reasoning tasks, where the policy is updated by reward feedback while exploring the space of responses. Despite its empirical success, theoretical understanding of RL post-training remains limited, in particular of why on-policy exploration combined with a neural reward model is effective. In this paper, we address this question by modeling the reward as a hierarchical function on the response space: the reward consists of infinitely many local components, each of which becomes relevant only after the preceding ones have been resolved. We show that a natural Transformer-based actor–critic algorithm, which alternates between sampling from the current KL-regularized policy, fitting a Transformer critic to the observed rewards, and updating the policy, achieves the minimax optimal rates in the query budget and in the regularization strength up to logarithmic factors, and is minimax optimal for a fixed number of prompts. In contrast, we prove that sampling from the fixed reference distribution, as in offline reward modeling, can limit regret decay to a logarithmic rate. These results show that on-policy exploration progressively zooms in on the region where the reward is concentrated, and quantify its benefit for RL post-training.
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Machine Learning (Statistics)

Information-Dense Synthesis for Molecular Discovery

Machine learning can accelerate molecular discovery by designing molecules and planning experiments. However, many scientific challenges demand molecules with very rare properties, and in this sparse setting, existing algorithms offer little gain over random guessing. We propose a method to efficiently search large regions of molecular space using algorithmically controlled stochastic synthesis. Rather than design, make and test individual molecules, we design and make complex mixtures, test them as a pool, then deconvolute the molecule-activity map. We optimize synthesis to encode maximal information. Theoretically, this approach can reduce the number of experiments required to find the optimal molecule among $d$ candidates from $\mathcal{O}(d)$ to $\mathcal{O}(\log d)$ or $\mathcal{O}(1)$. In simulation, on estimated protein fitness landscapes, it finds active molecules with an order of magnitude fewer experiments than existing Bayesian optimization methods.
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Machine Learning (Statistics)

One-Shot Private Confidence Regions via Resampling

We propose a simple framework for constructing differentially private confidence regions in one shot, i.e., by adding noise only to the final resampling quantile instead of privatizing the estimator computed on each resample. The cost of privacy of our procedure is only logarithmic in the number of resamples $B$ under with-replacement ($m$-out-of-$n$) sampling and independent of $B$ under without replacement sampling (subsampling), avoiding the $\sqrt{B}$ factor that arises in previous works. We provide nonasymptotic Gaussian Differential Privacy (GDP) and utility guarantees for both subsampling and $m$-out-of-$n$ resampling, covering mean-like estimators with small global sensitivity as well as estimators admitting efficiently computable smooth sensitivity bounds, including quantiles and degenerate U-statistics. This allows us to also obtain private confidence regions for degenerate U-statistics where the private error is much smaller than the non-private error. In all, we provide a toolbox for widely applicable DP uncertainty quantification procedures under popular resampling strategies while avoiding the computational and privacy costs of privatizing many intermediate resample statistics.
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All authors Shourya Pandey, Purnamrita Sarkar, Po-Ling Loh, Debepsita Mukherjee

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

Scalable Regularized Vector Multiplicative Error Models for Positive-valued Financial Time Series

The logarithmic multiplicative error model (log-vMEM) has been useful in modeling and forecasting multivariate positive-valued financial time series. The number of parameters grow rapidly with the dimension of the system and the lag order, making estimation computationally demanding in high-dimensional settings. This paper describes regularized estimation via hierarchical lag structures (Nicholson et al., 2020) for log-vMEM models with multivariate gamma error distribution of Tsionas (2004). The parameter estimation is performed using a blockwise coordinate descent algorithm with a Gauss-Seidel-style update scheme (Wright, 2015). This enables an efficient computation strategy compared to traditional penalized maximum likelihood approaches. The competing models are juxtaposed against each other by combining three hierarchical lag structures (componentwise, elementwise, own-other) and four penalties(group-lasso, adaptive group-lasso, group-mcp, and group-scad). Extensive simulation runs have been performed to test the parameter recovery for both the unpenalized and the penalized models. We apply the proposed methods to model the joint dynamics of robust intraday realized volatility measures for Microsoft (NASDAQ: MSFT) for the competing models. The numerical integration step of the log-likelihood is identified to be the principal computational bottleneck. We address this issue by using GPU-accelerated quadrature integration thus improving computational scalability of the proposed models.
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All authors Rohan Hemant Chhatre, Chiranjit Dutta, Nalini Ravishanker, Sumanta Basu

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

Symmetry-Aware Feature Learning: A Polynomial Separation for Multi-Index Models

We establish a polynomial sample complexity separation between symmetry-aware and symmetry-agnostic feature learning. We study growing-rank multi-index models with high-dimensional Gaussian covariates in $\mathbb{R}^d$ and $r=\Theta(d^\delta)$ teacher directions forming a cyclic symmetry orbit, where $0<\delta<1/2$. We compare three ways of exploiting this structure: architectural weight sharing, data augmentation over the full symmetry group, and learning without access to the symmetry. In particular, we analyze a symmetry-tied convolutional network, an untied network, and the same untied network trained with full-group data augmentation, using spherical online SGD with correlation loss. For a class of polynomial links with information exponent $p\ge3$, we prove matching sample complexity bounds up to logarithmic factors: the tied and augmented learners achieve weak directional recovery in $\widetilde{\Theta}(d^{p-1})$ samples, whereas the symmetry-agnostic learner requires $\widetilde{\Theta}(rd^{p-1})$. For the pure quadratic Hermite link, the same separation holds for weak recovery of the teacher subspace, with sample complexities $\widetilde{\Theta}(d)$ and $\widetilde{\Theta}(rd)$, respectively. Thus, full-group data augmentation matches the sample efficiency of architectural weight sharing, and both provide a polynomial advantage over training without symmetry. For $p\ge3$, the proof reveals a two-stage mechanism: fluctuations at initialization select one direction in the teacher orbit, after which localized growth amplifies its overlap to the weak recovery scale while competing overlaps remain near their initialization scale.
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All authors Jivan Waber, Vanessa Piccolo, Yatin Dandi, Florent Krzakala

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

Network Intervention by Polling Strategic Agents

A planner in a network of strategic agents faces three entangled challenges: the optimum depends on agents' private information, queried agents may misreport to steer the outcome, and exact computation does not scale. We study these challenges in multi-activity network games with heterogeneous private technologies, in which the planner sets non-discriminatory prices. We show that the optimal prices admit a centrality-based decomposition of the welfare kernel: each agent's contribution scales with its squared centrality in a network reweighted by agents' preferences across activities. This decomposition motivates Poll, a polling algorithm in which the planner samples one agent per round, walks briefly through the agent's neighborhood, and updates the price from a local report. From the same decomposition flow three forms of efficiency: computationally, Poll uses significantly fewer operations than exact computation and other distributed methods, requiring up to three orders of magnitude less communication on a real-world network with over 300,000 agents; statistically, its query complexity scales with topology and preference heterogeneity rather than explicitly with population size; and economically, it converges to welfare-maximizing prices while admitting behavior-specific implementations that induce truthful reports and detect adversarial deviations.
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Machine Learning (Statistics)

High-Dimensional Statistical Inference for Sparse Support Vector Machines

Using a replica-symmetric high-dimensional characterization, we develop an inferential framework for sparse support vector machines when the sample size and number of features grow proportionally. The main challenge is the nonsmooth hinge loss, which prevents direct application of debiasing arguments developed for smooth classification losses. We overcome this difficulty by representing the $L_1$-penalized support vector machine (SVM) as a linear program and identifying the hinge-loss subgradient through its dual variables. This yields a computationally accessible debiased estimator whose coordinates are asymptotically Gaussian under the proportional asymptotic regime. The resulting distributional characterization provides confidence intervals and hypothesis tests for individual features and enables false-discovery-rate-controlled variable selection. Extensive simulations examine calibration, power, and variable-selection performance under a range of covariance structures, including strongly correlated designs. An analysis of high-dimensional breast cancer gene-expression data illustrates how the proposed inference can distinguish statistically significant features from variables selected by the original sparse SVM.
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Machine Learning (Statistics)

Two-Sample Testing via Generative Processes

Deciding whether two samples come from the same distribution is a classical problem in statistics, and generative transport offers a new way to approach it. We build a stochastic interpolant directly between the two samples and observe that, for a symmetric schedule, its law is invariant under the time reflection $t \mapsto 1-t$ whenever the two distributions coincide. We therefore test whether the marginals at times t and 1-t agree by computing their Jensen–Shannon divergence. Both marginals are explicit mixtures over all cross-pairs of observations, so nothing is learned, and permutation calibration gives an exact finite-sample level. For Gaussian noise, this divergence equals a time integral that pairs the reflection defects of the velocity field and of the score, so the test compares transport dynamics rather than endpoints alone. With a narrow-plus-broad noise design, the test attains the minimax separation rate n^{-2s/(4s+d)} over bounded, compactly supported densities whose difference has Sobolev smoothness s > 3d/4, with no lower bound on the densities. Fusing a dyadic grid of noise scales through their permutation ranks, without sample splitting, preserves exact level and adapts to unknown s at an iterated-logarithmic cost. Empirically, the test matches or outperforms state-of-the-art kernel two-sample tests.
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Machine Learning (Statistics)

How Many Independent Samples Does a Satellite Image Contain? Generalization Bounds for Spatially Dependent Data

Machine learning classifiers for remote sensing imagery are typically evaluated as though every pixel were an independent sample. Spatial autocorrelation violates this assumption, since neighboring pixels carry redundant information which inflates sample sizes. How many independent samples does a satellite image actually contain? For an $n \times n$ image whose spatial correlation persists over a range of $r$ pixels, the effective sample size is $\Theta(n^2/r^2)$, not $n^2$. We prove this as a finite-sample upper bound for classifiers on spatially correlated data, and show via a matching lower bound that the rate is tight, and no algorithm can do better. We extend the results to images with directional correlation and spatially varying correlation structure. Our result justifies spatial cross-validation since block holdout with separation proportional to the correlation range achieves optimal generalization guarantees, while random holdout can underestimate confidence interval widths by a factor proportional to $r$. We validate the theory on synthetic data and satellite image tiles from three sensors (Landsat 8, Sentinel-2, and Sentinel-1).
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Machine Learning (Statistics)

Anytime-valid simulation-based hypothesis testing

For a given data distribution $(X_t)_{t \in \mathbb{N}} \sim Q$ i.i.d., we investigate the hypothesis testing problem: $H_0: Q = P_0$ vs. $H_1: Q = P_1$, for two different model probability distributions $P_0$ and $P_1$. In contrast to the standard setting, where analytic densities $p_0$ and $p_1$ are given, here, we consider the density-free setting, where we only have access to i.i.d. simulations $(Z^0_t)_{t \in \mathbb{N}} \sim P_0$ and $(Z^1_t)_{t \in \mathbb{N}} \sim P_1$. For this simulation-based hypothesis testing setting, we construct an e-test martingale, resulting in a sequential test with anytime-valid type-I error guarantees, approximate growth optimality, geometrically decaying type-II error bounds, and asymptotic power one. Most ingredients used in our constructions are variants of well known concepts. The value of this paper lies in the compact presentation of an effective, anytime-valid solution for the density-free simulation-based sequential hypothesis testing case.
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Machine Learning (Statistics) · Cross-listed from cs.DC

Beyond Marginal Monitoring: Distributed Joint-Distribution Testing for Data Concept Drift in Large Scale E-Commerce Operations

Concept drift threatens production machine learning, yet the empirical behavior of multivariate two-sample drift detectors at scale remains under-characterized. Existing benchmarks rarely address the hundreds of millions of rows and high-cardinality features typical of industrial-operational datasets. We evaluate five multi-column two-sample tests (marginal, projection-based, and kernel embedding methods) across three complementary environments: the Harvard Dataverse, a validated Failing Loudly reproduction (mean absolute error between 0.030 and 0.053), and a novel synthetic-injection benchmark on the 137.5-million-row Trendyol collection-ranking feature table. Testing four drift types across two severity-scope regimes, we demonstrate that distributed Maximum Mean Discrepancy with Random Fourier Features on Apache Spark scales robustly. Averaged over the four drift types in the strong regime and under a calibrated threshold, it achieves a Pearson correlation of r = 0.940 with expected drift magnitude, an 80.4% true positive rate, and a 3.2% false positive rate. Conversely, the per-dimension Kolmogorov-Smirnov test failed due to statistic saturation from ID-like columns under asymmetric sampling, establishing a critical constraint for large-scale sampling design. At weak configurations (realized-flip fractions of at most 0.57%), detectors struggled to reliably discriminate, highlighting the need for future intensity-grid power analyses to distinguish fundamental sensitivity bounds from scalable threshold shifts.
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All authors Cagdas Pullu, Mahmut Emir Arslan, Bugra Balkac, Aylin Ondersev Balta, Cihangir Celal Palaci, Fikri Cem Yilmaz, Altan Cakir

Machine Learning (Statistics)

ProximalFM: Amortized Proximal Causal Inference under Hidden Confounding

Standard causal identification methods often assume no unmeasured confounding and can fail when relevant confounders are unobserved. Proximal causal inference instead uses proxy variables to identify effects under hidden confounding. However, nonparametric proximal estimation can be challenging in practice: recovering causal estimands such as the conditional average treatment effect (CATE) requires solving an ill-posed integral equation that is data-hungry, hyperparameter-sensitive, and optimization-unstable. Bayesian inference for such models provides a desirable alternative, mitigating these difficulties by regularizing through the prior. However, computing a posterior is itself challenging, as a typical likelihood function will include latent variables. Following the recent success of tabular foundation models in backdoor, instrumental variable, and frontdoor settings, we propose that prior-data fitted networks (PFNs) are uniquely suited to resolve this bottleneck. Indeed, by training on synthetic data sampled from compliant structural causal models with access to oracle counterfactuals, we simplify the task substantially, amortizing the implied Bayesian operator inversion into a single transformer forward pass. Compared to prior literature that focuses primarily on point estimation, our model, ProximalFM, explicitly targets the Bayesian posterior distribution of the CATE. One unique aspect of this problem is that we need to provide Monte Carlo estimates of the oracle CATEs, leading to a novel variation of PFNs that accounts for the added stochastic error. Across a diverse suite of proximal regimes, ProximalFM achieves consistently strong CATE-estimation performance without dataset-specific tuning, with its largest advantage when latent confounding is substantial and the proxies are weakly informative; it also provides fast inference through a single amortized forward pass.
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All authors Christophe Muller, Ayub Kharel, Alex Luedtke, Chan Park, Eric Tchetgen Tchetgen, Juan L. Gamella, Rahul G. Krishnan, Ricardo Silva, Jakob Zeitler

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

Detecting a Shift Is Not Enough: Exact Minimax Limits of Linear Representation Repair

A mean shift between two data sources can be easy to detect but hard to remove without substantially changing their representations. We cast its removal as a statistical decision problem: from noisy differences between paired calibration measurements in $\mathbb{R}^d$, learn one linear map, applied to both sources under a hard distortion budget, that leaves as little of the shift as possible on fresh data. We derive the exact finite-sample minimax risk over all such maps, $(d-k) \mathbb{E}[1/(d+2J)]$ with $J\sim\mathrm{Pois}(\kappa/2)$, where the budget allows deleting $k$ directions and $\kappa$ is the calibration signal-to-noise ratio. Projecting out the mean calibration difference attains it without knowing $\kappa$ or the noise scale. This exposes a detection-repair gap: detecting the shift needs only $\kappa\gg\sqrt d$, whereas removing a fixed fraction of it at constant distortion needs $\kappa\asymp d$, as for estimating its direction. Standard linear concept erasers (MP, SAL, LEACE) remove the same calibration difference, so the formula gives, before fitting, exactly how much shift they leave on fresh data and how much calibration a target requires. The limit is robust: pairing keeps it exact for non-Gaussian shared content, the projection keeps its guarantee under anisotropic noise, and selective abstention cannot close the gap. On paired clinical and wearable sleep EEG, where differences between participants act as calibration noise, the formula predicts the device shift left in new participants, and more recordings per person soon stop helping. Together, these results tell whether a correction that falls short needs a better method, more recordings, or more participants.
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All authors Anuar Aimoldin, Yankai Chen, Ayana Mussabayeva, Xue Liu

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

Spectra: Exact Component Transport for Test-Time Prior Adaptation in Simulation-Based Inference

Simulation-based inference (SBI) has become a powerful approach to Bayesian inference in complex scientific models whose likelihoods are difficult or impossible to evaluate. Amortized SBI learns reusable inference models from simulated data, enabling rapid posterior inference for new observations, and modern generative models have made these models increasingly expressive. However, this reuse is limited to the prior distribution chosen during training, whereas scientific analyses often need revised priors as knowledge accumulates or alternative assumptions are tested. We introduce Spectra, a test-time adaptation method for diffusion-based SBI. Spectra uses an exact score-transport identity to obtain the adapted score from a frozen diffusion model in closed form for structured prior changes, without additional simulation or training. Across six SBI benchmarks, Spectra achieves accurate adaptation under strong prior shifts at low online sampling cost. This enables pretrained SBI models to incorporate updated prior information at test time.
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All authors Xin Zhao, Nico Scherf, Robert Trampel, Kerrin J. Pine, Nikolaus Weiskopf

Machine Learning (Statistics)

Stochastic Gradient Descent Ascent is Suboptimal for Nonconvex-PŁ Min-Max Games

How far can stochastic gradient descent ascent (SGDA) go by tuning its timescale ratio and step sizes in nonconvex min-max games? We answer this question for nonconvex-PŁ (NC-PŁ) games by establishing the first tight complexity of two-timescale SGDA with a fixed timescale ratio and non-increasing step sizes. For $\ell$-smooth games with an inner $\mu$-PŁ inequality, we prove a complexity lower bound $\Omega(\kappa^2\ell\varepsilon^{-2}+\kappa^4\ell\sigma^2\varepsilon^{-4})$, where $\kappa=\ell/\mu$ is the condition number, $\sigma^2$ is the gradient variance, and $\varepsilon$ measures the outer gradient norm. This matches existing SGDA upper bounds and establishes a complexity separation from Smoothed-AGDA (Yang et al., 22'). In addition, we show that SGDA can fail to find a stationary point when its timescale ratio is as small as $o(\kappa^2)$. Our negative results highlight the fundamental limitation of SGDA in NC-PŁ games, and justify the development of alternative methods.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Adaptive Mean Estimation by In-Context Learning: A Gradient-Flow Analysis

Prior Fitted Networks (PFNs) such as TabPFN now rival established statistical procedures across prediction and estimation tasks. A natural explanation is that PFNs have the property of statistical adaptivity, that is, they perform nearly as well as a method tailored to the true data-generating model for a heterogeneous set of models, while not being told which model the data comes from. We study how such adaptivity is learned in a controlled location-estimation problem. Each task is an unlabeled sample whose family is hidden: Gaussian data call for averaging, with error of order $n^{-1}$, whereas uniform data are best estimated from their extremes, at the faster rate $n^{-2}$. We also provide the example of a symmetric Gaussian mixture, for which a rate of $\sigma^2_n/n$ can be attained. On scalar inputs, softmax attention computes the derivative of the empirical cumulant-generating function. A single primitive therefore both supplies features that distinguish the families and forms estimators interpolating between the sample mean and the mid-range. We combine attention experts through either a softmax mixture of experts or a gated linear unit (GLU), and analyze stagewise gradient flow. With $\widetilde{\Omega}(n^{1+\epsilon})$ pretraining tasks, the learned estimator is asymptotically efficient on Gaussian tasks, within a factor $n^{\epsilon}$ of the minimax rate on uniform tasks, and order-optimal on mixtures in a shrinking-variance regime. These guarantees extend to new locations and longer contexts. A risk decomposition separates expert error, routing error and normalization error, which clarifies the architectural contrast. Softmax gating enforces normalization and exact translation equivariance, whereas the GLU must learn it: its dynamics separate into fast bias removal followed by slow expert selection. End-to-end experiments recover the predicted specialization.
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All authors Martin Eppert, Krishna Balasubramanian, Subhro Ghosh, Jason Klusowski, Yan Shuo Tan

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

Extending Pathwise Gradients to Discrete Random Variables via Finite-Order Relaxation

Pathwise gradients are preferred for continuous random variables because they are unbiased, low variance, and work with a single sample. For discrete variables, however, the pathwise identity cannot generally be exact for every differentiable function. We propose a general framework to construct finite-order exact pathwise gradient estimators for a range of common discrete variables such as Poisson. The estimator is the least-norm solution among all solutions that are unbiased for polynomials of degree at most. The resulting estimators preserve the hard forward sample, require no temperature tuning, and can be implemented in a few lines of codes. Against other admissible solutions, our estimator is unique and minimizes weight variance; in contrast, prior works use categorical variables or augmented representations to approximate non-categorical variables that induces excess variance and computations. To understand approximation bias for functions beyond the prescribed class, we also derive a non-asymptotic bias bound. In experiments our low order methods match or improve tuned baselines across linear, nonlinear and hierarchical latent-variable models, while out-speeding competitors in every runtime benchmark.
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Machine Learning (Statistics)

Trustworthy Method Comparison with AI Judges: Estimation and Design under Order, Batch, and Aggregation Effects

Large language models (LLMs) are increasingly used as judges for automated AI evaluation. A common practice is to randomize prompt sequences and average the resulting scores, but its statistical validity remains unclear. We show that LLM evaluation mechanisms can be approximated by a class of Markov generalized linear mixed models (GLMMs), supported by out-of-sample predictions across three major commercial LLMs. Using a first-order Markov GLMM, we study leaderboard ranking and group comparison. For leaderboard ranking, randomize-and-average selection is consistent under a mild separation condition, and a Williams square design can improve efficiency when item qualities are close. For group comparison, naive averaging can yield inconsistent conclusions about differences in group-level quality because of the response model's nonlinearity. Empirical results further support the validity of the proposed model-based inference beyond the first-order theory, including settings with higher-order sequence memory. We illustrate the approach in an application where AI judges compare two graphical model estimation methods.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Adversarially Trained Linear Transformers Are Optimal Robust In-Context Learners for Gaussian Mixtures

Adversarial training is one of the most reliable defenses against adversarial attacks, but its high computational cost must generally be paid anew for each task. Robust foundation models offer a promising alternative: adversarially pretrain a model once and then transfer its robustness to downstream tasks through lightweight adaptation. However, a fundamental question remains open: can robustness acquired during pretraining transfer to unseen tasks without further adversarial training? In this study, we answer this question affirmatively. A single model adversarially pretrained at scale can achieve optimal robustness on new tasks without additional task-specific training. Specifically, we show that, for a family of Gaussian-mixture classification tasks, a sufficiently deep linear transformer adversarially trained across tasks can asymptotically attain the robust Bayes error on previously unseen tasks through in-context learning from clean demonstrations. By contrast, a standardly trained model cannot. We further analyze convergence under gradient flow, an accuracy–robustness trade-off, and demonstration complexity.
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Machine Learning (Statistics)

High-dimensional online calibration from harmonic weights

We study the online calibration of multidimensional forecasts over an arbitrary convex set $Y\subseteq\mathbb{R}^d$ relative to an arbitrary error norm $\|\cdot\|_{L}$. For forecasting $d$ binary outcomes simultaneously ($Y=[0,1]^d$), we give the first algorithm that achieves $\varepsilon$-calibration in a number of rounds that is polynomial in $d$ for every fixed accuracy. It requires $d^{O(1/\varepsilon)}$ rounds, exponentially improving the dimension dependence of previous bounds. For multi-class forecasting ($Y=\Delta_d$), we obtain the same $d^{O(1/\varepsilon)}$ rate, improving the $d^{\widetilde{O}(1/\varepsilon^2)}$ bounds of Peng and Fishelson et al. Our algorithm is simple: on each round, it outputs a harmonically weighted distribution over harmonically smoothed past outcomes. The same algorithm works for every forecast set and norm. More generally, it achieves $\varepsilon$-calibration after $\exp(O(\gamma(Y,L)/\varepsilon))$ rounds, where $\gamma(Y,L)$ is a geometric parameter defined by a matrix discrepancy problem. The harmonic weights are motivated by the fact that the discrete Hilbert transform matrix achieves the optimal discrepancy up to a universal constant, simultaneously for every $L$. This optimality result may be of independent interest.
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Machine Learning (Statistics)

Nash Social Welfare for Multi Armed Bandits: Trajectory-wise Expected and High Probability Regret

We study fair multi-armed bandits under the Nash Social Welfare (NSW) objective, which measures performance via the geometric mean of accumulated rewards. Existing work defines Nash regret as $\mathrm{NR}_T = \mu^\star - (\prod_{t=1}^T \mathbb{E}\mu_{I_t})^{1/T}$, where $\mu_{I_t}$ is the mean reward of the recommended arm $I_t$ and $T$ is the horizon. Since it applies the geometric mean to per-round marginal expectations, it ignores the joint distribution of rewards across rounds, leaving the NSW fairness motivation unaddressed at the trajectory level. We propose trajectory-wise Nash regret $\widetilde{\mathrm{NR}}_T = \mu^\star - \mathbb{E}[(\prod_{t=1}^T \mu_{I_t})^{1/T}]$, which computes the geometric mean over complete sample paths before taking expectations, capturing NSW fairness more faithfully. By Jensen's inequality, $\widetilde{\mathrm{NR}}_T \geq \mathrm{NR}_T$, making it a strictly stronger metric. We also introduce high probability Nash regret $\widehat{\mathrm{NR}}_T = \mu^\star - (\prod_t \mu_{I_t})^{1/T}$, giving the first high probability regret bounds in fair bandits. Our two-phase algorithm, Round Robin Nash Confidence Bound (RR-NCB), combines round robin exploration with a Nash confidence bound index policy. We show $\widetilde{\mathrm{NR}}_T \leq \widetilde{\mathcal{O}}(\sqrt{k\log T/T})$ and, with probability $1-\delta$, $\widehat{\mathrm{NR}}_T \leq \widetilde{\mathcal{O}}(\sqrt{k\log(kT/\delta)/T})$, matching the optimal $\widetilde{\mathcal{O}}(\sqrt{k/T})$ rate despite the stronger metrics. Optimality follows from a lower bound via AM-GM and standard $k$-armed bandit minimax arguments. Simulations validate our theory.
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Machine Learning (Statistics) · Cross-listed from math.ST

Exact Calibration and Sharp Risk Geometry for Volume-Sampled Ridge Regression

We study ridge regression from exactly $s$ distinct rows of a fixed design. Responses are fixed, and only the subset is random. The determinant law and selected ridge fit share one positive definite penalty. Established mean identities and exponential-family duality give the unique penalty that matches a prescribed full-data ridge fit in expectation. It exists exactly when $s$ exceeds the target's effective dimension. Our main result concerns centered covariance risk normalized by full-data penalized loss. For balanced signed coordinate replicas, a strict sector inequality gives the sharp risk and all maximizing responses at every budget from the dimension to one below the row count. This holds for any nonzero positive semidefinite query. With the target and query fixed, the maximizing response space is unchanged across these budgets. For general designs, we characterize attainment of a leave-one-out envelope. For existing real equiangular tight frames, flat row query energy characterizes when every nonzero residual response maximizes at two deletions. At three deletions, we give the sharp risk and complete maximizing space for isotropic queries, using unequal triangle weights. The balanced geometry yields a same-sample unbiased ridge–Horvitz–Thompson mixture with lower sharp risk and an exact mean-share improvement boundary. Under full recalibration after feature changes, we prove quadratic regret from searching the complete old maximizing space and a query-uniform bound on the mixture's risk gain. The strongest sector inequalities have exact computer-assisted proofs.
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Machine Learning (Statistics)

Stability of Measure-to-Measure Transformers on Sub-Gaussian Data

Transformers have exhibited impressive empirical success across various domains, but their theoretical foundations remain less developed. This work constitutes a mathematical study of the measure-to-measure operators defined by transformers. We show that transformers map sub-Gaussian inputs to sub-Gaussian outputs; this ensures that taking arbitrary-length compositions of the softmax operator is well-defined. We then show that transformers are Hölder continuous with respect to the 1-Wasserstein distance on appropriate spaces of sub-Gaussian inputs. This allows us to establish estimates on the error propagation along a transformer between a sub-Gaussian input and its empirical approximation. We also study a mean-field analog of the cross-attention mechanism, which is an operator from a pair of probability measures to a single probability measure. We show that cross-attention exhibits different Hölder regularity and sample-complexity in its two input arguments. Last, we apply our results to deduce approximation guarantees for measure-to-measure transformers. Together, these results provide a firm stability and finite-sample theory for transformers on sub-Gaussian data.
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Machine Learning (Statistics)

Uniform Discrete Diffusion Models are Minimax Optimal for Estimating Distributions with Small Effective Support Size

Discrete diffusion models have emerged as a practically successful framework for generative modeling on discrete product spaces, yet their statistical generalization properties remain poorly understood. Discrete real-world data such as text or biological sequences often concentrate on a small fraction of the astronomically large ambient space because of semantic or physical constraints, but existing bounds fail to capture this distributional structure and instead scale with the size of the ambient space, giving rise to almost vacuous error bounds. We address this gap for uniform discrete diffusion, one of the two dominant discrete diffusion paradigms alongside masking diffusion, by deriving statistical guarantees governed by the effective support size $s_n(P_0)$, a sample-size-dependent measure of distributional complexity. Given $n$ independent and identically distributed (i.i.d.) samples from an unknown data distribution $P_0$ on $[K]^d$, we show that, with appropriate choices of network size and hyperparameters, the expected total variation (TV) loss scales as $O(\sqrt{s_n(P_0)/n})$, while the expected Kullback–Leibler (KL) divergence is bounded by $O(\frac{1}{n}s_n(P_0)\log(eK^d/s_n(P_0))\log n)$. Furthermore, we show that the TV rate is minimax optimal and that the KL rate is minimax optimal up to a factor of $\log n$. Together, these upper and lower bounds show that uniform discrete diffusion successfully avoids the curse of dimensionality for distributions with small effective support size: the TV error rate depends on the ambient state-space size only through $s_n(P_0)$, while the corresponding KL rate incurs only an additional logarithmic dependence on the ambient state-space size.
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Machine Learning (Statistics) · Cross-listed from cond-mat.dis-nn

Asymptotic Analysis of Empirical Risk Minimization on Entry-wise i.i.d. Heavy-Tailed Data

Many real-world datasets exhibit unusually large values far more frequently than predicted by Gaussian models. Heavy-tailed distributions capture this behavior, yet evaluating learning performance under them remains challenging because rare, large feature entries retain non-vanishing effects even in high dimensions. Even in the canonical setting of empirical risk minimization for linear regression with entry-wise i.i.d. symmetric $\alpha$-stable data, a precise asymptotic characterization of prediction has been lacking. In this work, we introduce a functional order parameter that describes the random effective problem associated with each coefficient. Using the replica method, we fully characterize the generalization error in the proportional high-dimensional limit where the sample size and feature dimension diverge at a fixed ratio. Additionally, this analysis establishes a heavy-tail universality law, scaling laws relating typical errors to prediction reliability, and the Bayes-optimal prediction error. In addition to characterizing the effects of extreme entries on the learning process, our method applies broadly to other systems with persistent local heterogeneity.
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Machine Learning (Statistics)

Explicit Asymptotic Bounds for Sequential Calibration Beyond $T^{2/3}$

Probability forecasts are calibrated when predicted probabilities match empirical outcome frequencies: among events assigned a probability $p$, we'd hope that the fraction of positive outcomes is close to $p$. We study the problem of sequential forecasting of binary outcomes. The classical $O(T^{2/3})$ bound on expected cumulative $\ell_1$-calibration error established by Foster and Vohra stood for over two decades until Dagan et al. reduced the exponent $2/3$ by an unspecified constant. We establish a new two-phase recursive labeling strategy for the sign-preservation-with-reuse game that yields the bound $O(n^{\alpha}t^\beta)$ for all choices of space and time. We then sharpen the reduction from upper bounds on sign preservation to calibration by modifying the equivalence of Dagan et al. to use only $O(\log T)$ instances of the sign-preservation-with-reuse game. This lets us establish an explicit bound of $O(T^{0.662942288})$, the first explicit exponent below $2/3$ for sequential calibration, by combining both improvements and choosing explicit feasible parameters.
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Machine Learning (Statistics) · Cross-listed from econ.EM

Vine Copula VAR:From Recursive Margins to Joint Forecast Inference

Joint-event forecasts combine an estimated dependence model with current marginal forecasts. Retaining historical transforms at the marginal fits available when each outcome arrived creates overlapping estimation errors. We derive their joint influence with the terminal estimates in a stable Vine Copula VAR with normal innovation margins and a fixed, correctly specified Gaussian or positive Clayton vine. An intercept identity and the stable VAR filter reduce the historical correction to harmonically weighted innovation moments. Terminal slope uncertainty remains in the forecast gradient. A feasible covariance estimator yields asymptotically valid repeated-sample intervals for fixed one-sided event probabilities at the realized forecast state. A same-family terminal refit provides the efficiency comparison. Retaining dated transforms adds a positive semidefinite limiting covariance term, whose event-level cost depends on dependence sensitivity and forecast-state leverage. Monte Carlo comparisons show a small accuracy cost of retaining the transforms and a larger inferential role for current marginal estimation. Allowing Clayton dependence improves downside forecasts relative to Gaussian dependence under each transform rule. A fourteen-variable U.S. real-time forecasting application and simulations with twenty and fifty variables illustrate feasible joint-event estimation and analytic inference for fixed-depth vines.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Learning a Mixture of GFlowNets

Learning an ensemble of GFlowNets to sample from a discrete target distribution has become a common approach for achieving better state space exploration and convergence than that of a monolithic sampler. However, these methods often add a substantial runtime overhead to the base model, and their conceptual connection remains elusive. To address this, we first propose a general-purpose theoretical framework for describing a mixture of GFlowNets, which we specialize into continuously (CI) and discretely indexed (DI) collections. On the one hand, we show CI GFlowNets can be interpreted through the lens of a random features expansion, provably boosting the sampler's expressivity in graph-structured tasks and reducing learning instability via spectral shifting. On the other hand, we demonstrate DI GFlowNets encompass prior approaches for GFlowNet training and provide the foundation for the newly proposed Stratum-Conditioned (SC) GFlowNets. This method, which is inspired by the Doob's h-transform of Markov chains, decomposes the state space according to a prescribed modular function and restricts each component to sample from a distinct subset of it. Importantly, SC GFlowNets support centralized and component-wise embarrassingly parallel training, and we show both of them significantly speed up learning convergence and mode coverage without introducing any non-negligible extra computation.
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Machine Learning (Statistics)

Is $\sqrt{d}$ Separation Necessary for Gradient EM to Learn Gaussian Mixtures in High Dimensions?

Learning Gaussian mixture models (GMMs) using the Expectation-Maximization (EM) algorithm and its gradient-based variants is a fundamental problem in machine learning. It is known that randomly initialized (gradient) EM fails to learn multi-component GMMs in the exact-parameterized setting, where the number of components matches that of the ground-truth GMM. Recently, global convergence of gradient EM has been established in the over-parameterized setting, where more components are used, provided that the ground-truth components are well separated. In particular, the minimum separation between ground-truth components is required to scale as $\Omega(\sqrt{d})$, where $d$ is the dimension. In this paper, we show that this dimensional dependence is unavoidable in high-dimensional settings. Specifically, we consider a hybrid EM algorithm that uses standard EM updates for the mixing weights and gradient EM updates for the component means. For any $\epsilon > 0$, we prove that when the dimension is sufficiently large, in the worst case a separation of order $\Omega(d^{0.5-\epsilon})$ is insufficient to guarantee global convergence of population gradient EM in sub-exponential time under random initialization, even in the over-parameterized regime. Our result establishes an almost optimal worst-case lower bound on the ground-truth separation required for learning Gaussian mixtures via gradient EM in high dimensions.
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All authors Yiran Zhang, Mo Zhou, Weihang Xu, Maryam Fazel, Simon S. Du

Monday 5 October

Machine Learning (Statistics)

Two-Sample Testing for Random Graphs without Vertex Correspondence

Two populations of graphs often have to be compared without any correspondence between their vertices, for instance when networks come from different communities, or when a graph generative model is evaluated against held-out graphs. We study how many graphs such an unaligned two-sample test needs, and which graph statistics can detect which differences. For an Erdős–Rényi null and a planted two-block difference that leaves every expected degree unchanged, we show that $m\asymp t^{-3}$ graphs per group are necessary and sufficient when the per-graph signal-to-noise ratio is $t<1$. Signed triangle counts attain this rate, and the lower bound holds for every graph size. With aligned vertices $m\asymp t^{-1}$ graphs suffice, so misalignment costs a factor of order $t^{-2}$. When the triangle signal cancels, the rate becomes $t^{-4}$ and $4$-cycles are needed. Statistics built from trees have exactly the same expectation under both hypotheses, and tests based on finitely many of them have asymptotically no power. In the graphon limit, this class includes degree distributions and message-passing graph neural network features. For a non-constant null, a generic difference is visible at first order, and a simple motif test attains the aligned order of sample size, suggesting that misalignment is costly mainly for differences that are invisible at low orders. We also give an exactly valid test for one or two graphs per group, at a cost in power. In our simulations, the fitted exponents are close to the predicted ones, and degree-based and random-GNN evaluation metrics stay at their level in a setting where signed triangles need about $65$ graphs.
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