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Tuesday 11 August

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

Optimistic Rates for Multiclass PAC Learning

Worst-case multiclass bounds do not become smaller when the best classifier is already nearly correct: what is missing is an optimistic rate, a guarantee whose fluctuation scales with the oracle risk itself. For a class of Natarajan dimension $d_N$ and Daniely-Shalev-Shwartz dimension $d_{DS}$, the optimal excess risk is known at the two endpoints ($d_{DS}/n$ realizable, $\sqrt{d_N/n}+d_{DS}/n$ agnostic [HMZ24, CEH+26, Pab26]) and open in between. We close the gap: at every fixed oracle risk $L^\star$, the optimal excess risk is $\widetilde{\Theta}(\sqrt{L^\star d_N/n}+d_{DS}/n)$, uniformly in the alphabet size, attained by a learner that knows neither $L^\star$ nor the confidence level. The upper bound composes the cover-menu-compression architecture of [CEH+26], at the realizable rate of [Pab26], with a new comparator-facing relative compression theorem: a size-$k$ compression rule that empirically dominates a comparator $h$ has population risk at most $L(h)+O(\sqrt{L(h)\Gamma}+\Gamma)$ with $\Gamma=(k\log n+\log(1/\delta))/n$, without stability; this transfers the comparison principle of the sharp binary theory [MQZ26] while discarding its Boolean-cube geometry, which does not lift to multiclass labels. The lower bound forces both terms using one class and one distribution at every fixed $L^\star$, by a pair-Assouad scheme calibrated to $L^\star$ and a fiber argument on the pseudo-cubes underlying the Natarajan-versus-DS separation of [BCD+22]. Both theorems extend to list learning: against the best $r$-tuple of hypotheses, the same architecture and the same two engines yield an optimistic rate and a lower bound of the same shape, forcing the fluctuation term that [Pab26] expected to be necessary against list comparators, and removing the factor $r$ from the known realizable list lower bound.
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All authors Xiaoyu Li, Andi Han, Jiaojiao Jiang, Junbin Gao

Machine Learning (Statistics)

Spectral Embeddings of Degree-$\alpha$ Laplacians in Random Dot Product Graphs

Spectral clustering methods for network data are commonly based on a few matrix representations, such as the adjacency matrix and the symmetric Laplacian. We study a continuum of degree-normalized spectral embeddings that includes these commonly used choices as special cases. Under a random dot product graph model, we establish a row-wise central limit theorem for this family of embeddings. The result provides an explicit description of how degree normalization affects both population geometry and the local uncertainty of embedded nodes. We use the limiting distributions to compare different normalizations in two-community stochastic block models through a projected-Gaussian Bayes-error diagnostic. These comparisons show that no single normalization is uniformly preferred. Instead, the favored normalization depends on network density, community imbalance, and block-probability structure. Typically, stronger normalization is favored in lower-density or more imbalanced settings. These results provide a unified distributional understanding of when and why alternative normalizations may improve spectral clustering.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Path Integral Value Matching for Linear Quadratic Stochastic Optimal Control

Linear Quadratic Stochastic Optimal Control (LQ-SOC) establishes a fundamental framework for steering noisy dynamical systems and has recently gained renewed interest in the machine learning community. However, current state-of-the-art policy-based methods suffer from prohibitive computational costs and instability due to their heavy reliance on full-trajectory simulation. To overcome these limitations, we propose a paradigm shift toward a value-based approach by revisiting Path Integral Control (PIC). Although standard PIC suffers from the same high-variance bottleneck as policy-based methods, we discover that by truncating and marginalizing the original path integral formulation, we can derive a temporal recursive form of the value function. Building upon this theoretical foundation, we propose the Path Integral Value Matching (PI-VM) algorithm. Specifically, we employ temporal-difference learning to approximate the recursive value dynamics, and further integrate the Girsanov theorem with experience replay to enable off-policy training. We benchmark PI-VM against SOTA policy-based methods across various SOC benchmarks and sampling tasks. Empirical results demonstrate that PI-VM matches SOTA precision with an order-of-magnitude efficiency gain in low-dimensional settings, while effectively mitigating mode collapse in high-dimensional scenarios. Consequently, PI-VM offers a scalable solution for solving complex SOC problems.
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All authors Bangyan Liao, Chenglei Yu, Yuchen Yang, Chuanrui Wang, Zhisheng Song, Peidong Liu, Tailin Wu

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

Rule of Thumb: Explaining Artificial Intelligence Systems using Partial Information

Explainable Artificial Intelligence (XAI) seeks to explain how an Artificial Intelligence (AI) system arrived at a particular decision. We propose ”Rule of Thumb” (RoT) explanations, a new approach to XAI based upon a novel formulation that identifies the most relevant features for predicting the behaviour of an AI system, for a particular datapoint. We show how RoT is well-suited to enable XAI in: (a) zero-shot classification using large language models (LLMs), (b) auditing of opaque AI systems without model access, and (c) the use of AI in scientific discovery. Additionally, RoT meets specific requirements from leading AI regulations, provides a familiar interface and visualisations for XAI practitioners, is model-agnostic, and is substantially faster than alternatives. Code available at: https://github.com/KaiRawal/Rule-of-Thumb-Explaining-Artificial-Intelligence-Systems-using-Partial-Information
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All authors Kaivalya Rawal, Daria Onitiu, Brent Mittelstadt, Sandra Wachter, Chris Russell

Machine Learning (Statistics)

Iterative Erasure Count Is Not an Affine-Invariant Concept Dimension

How many directions does a neural representation use to encode a concept? A common answer repeatedly erases probe directions and reports the stopping count or cumulative removed rank. We show that both quantities can change under an information-preserving invertible reparameterization, so neither is intrinsically a concept dimension. We distinguish model-defined population quantities (generating dimension, sufficient linear dimension, and minimum guarding rank) from procedure-defined quantities such as stopping count and cumulative edit rank. In a population Gaussian construction, an invertible shear preserves the prediction problem and all three quantities, yet changes the cumulative Euclidean erasure count from one to two. The separation holds for Moore–Penrose ordinary least squares and every finite nonnegative ridge weight. For a two-output full-QR procedure matching our motivating video analysis, cumulative edit rank similarly changes from two to the ambient dimension four. Conversely, the complete cumulative metric-QR trajectory is affine-equivariant when its positive-definite metric, probe, regularizer, and tie-breaking are transported consistently; exact covariance is one corollary, not a canonical semantic metric. In a known-rank finite-sample Adam/QR calibration, identity mixing stops after one accepted update in all 20 large-sample runs, whereas each tested shear $a\in\{.5,.75,1,1.25,2\}$ accepts at least two updates in all 20 runs. Controlled reparameterizations of frozen V-JEPA2 features preserve rank-zero predictions yet alter later Euclidean trajectories under practical optimization. These visual contact experiments are stress tests, not estimates of contact dimension. Iterative erasure therefore returns a procedure-relative estimand jointly determined by representation geometry and the full measurement procedure, not a semantic dimension by itself.
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All authors Tingan Jin, Shuhang Dong, Haosong Li, Chung-Hsien Chou

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

Improving TensorSketch Using Complex Random Variables

TensorSketch by~\cite{pham2013fast,kar2012random} provides efficient sketching algorithms for high-dimensional polynomial kernels $\vec{x}^{\otimes p} \in \R^{d^p}$. \cite{kar2012random} uses dense Johnson-Lindenstrauss (JL)-type projections with computational cost $O(pDd)$, where $D$ denotes the sketch dimension, whereas~\cite{pham2013fast} extends the sparse CountSketch~\citep{count_sketch} algorithm, yielding a faster algorithm for high-dimensional sparse inputs with running time $O\big(p(\nnz{\vec{x}} + D \log D)\big)$. However, the variance of both estimators grows exponentially with the polynomial degree $p$, scaling as $3^{p}/D$. Recent work by~\cite{pmlr-v206-wacker23a} showed that using complex-valued distribution reduces this dependence to $2^{p}/D$ for the approach of~\cite{kar2012random}. However, their method relies on dense JL-type projections with computational cost $O(pDd)$ and does not extend to the algorithm of~\cite{pham2013fast}. In this work, we introduce a simple variant of TensorSketch~\citep{pham2013fast} that achieves the same variance bound as~\cite{pmlr-v206-wacker23a}, while retaining its advantage of the input-sparsity running time. We validate our results with supporting experiments on synthetic and real-world datasets.
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All authors Amit Sharma, Mohammad Azhar Khan, Rameshwar Pratap, Keegan Kang

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

Tensor-normal maximum likelihood estimation at the operator-norm sample threshold

Let $X_1,\ldots,X_n$ be independent Gaussian tensors in $\mathbb{R}^{d_1}\otimes\cdots\otimes\mathbb{R}^{d_k}$ with a common covariance matrix given by the Kronecker product of $k$ unknown positive-definite factors, and let $D=\prod_{a=1}^k d_a$ and $d_{\max}=\max_a d_a$. Franks et al. (2026) established condition-number-free guarantees for the tensor-normal maximum likelihood estimator under the sample-size condition $nD\gtrsim k^2 d_{\max}^3$ and asked whether the cubic dependence on $d_{\max}$ could be reduced to a quadratic one. We answer this question affirmatively. For $t\geq 1$, if $nD\geq C k^2 d_{\max}^2 t^2$, then with high probability the maximum likelihood estimator exists, is unique, and satisfies $d_{\rm FR}(\widehat\Theta,\Theta)\leq C t \sqrt{k} d_{\max}/\sqrt{n}$ and $d_{\rm FR}(\widehat\Theta_a,\Theta_a)\leq C t\sqrt{k d_a} d_{\max}/\sqrt{nD}$ for every mode $a$. For every mode $a$ with $d_a=d_{\max}$, we further establish the sharp Thompson-metric bound $d_{\rm op}(\widehat\Theta_a,\Theta_a)\leq C t d_{\max}/\sqrt{nD}$. These guarantees are uniform over the unknown covariance factors and require neither condition-number bounds nor sparsity assumptions. Gaussian submodel lower bounds match the full and largest-factor Fisher–Rao rates up to a factor of $\sqrt{k}$ and the largest-factor Thompson rate up to universal constants. Consequently, for fixed $k$, the quadratic dependence of the sample-size threshold on $d_{\max}$ is optimal. GPT-5.6 Sol and Claude Fable 5 were used to assist with proof development, verification, and manuscript preparation.
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Machine Learning (Statistics) · Cross-listed from math.OC

A lower bound for stepsize-based acceleration of gradient descent

Recent work has shown that, for smooth convex optimization, plain gradient descent can be accelerated from its textbook convergence rate of $O(T^{-1})$ (where $T$ denotes the number of iterations) to $O\big(T^{-\log_2(1+\sqrt{2})}\big)$ using carefully designed stepsize schedules alone, without resorting to momentum or other algorithmic modifications. Despite this progress, however, little was known about lower bounds for such methods beyond the classical $\Omega(T^{-2})$ benchmark for general first-order methods. In this work, we present a new lower bound of $\Omega(T^{-1.9319})$ for the last-iterate convergence rate of gradient descent with predetermined nonnegative stepsize schedules. This result provides rigorous evidence that stepsize schedules alone cannot accelerate plain GD to the optimal $O(T^{-2})$ convergence rate. The proof was developed by GPT-5.6 Sol Pro under the authors' guidance.
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Machine Learning (Statistics) · Cross-listed from q-bio.NC

Improved cross-validated distances for multivariate pattern analysis

Characterizing the dissimilarity of neural representations between experimental conditions, and tracking it across time, is a central goal of multivariate pattern analysis. Guggenmos et al. (2018) assessed the reliability of many of the measures that can be used for that purpose on MEG data and recommended the use of either the cross-validated Euclidean distance or the within-class-corrected Pearson distance. In this commentary, we show that we can improve upon these distances. First, we show that the cross-validated Euclidean distance is equivalent to a sum of between-partition distances and that this equivalence can be leveraged to obtain a generalized variant, with increased reliability and accuracy. Second, we use the relationship between Euclidean distance and Pearson correlation to define a cross-validated correlation distance in a similar way. The resulting distance is more accurate and interpretable than a formulation proposed by Guggenmos and colleagues. Finally, we discuss the relationship between our generalized cross-validation and within-class correction, another strategy often used to increase reliability, and we show that generalized cross-validation results in higher accuracy for the correlation distance.
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Monday 10 August

Machine Learning (Statistics)

Black-Box Knowledge Transfer across Distinct Feature Sets

Pre-trained black-box predictive functions encode knowledge distilled from massive datasets and extensive computation. However, when the available input features differ from those the black box expects, direct use is infeasible. We introduce a method for transferring predictive knowledge from the black box to a new, heterogeneous input space. Our approach decomposes the target regression function into a transferable component, which the black box can inform, and a non-transferable component, which captures information unique to the new space. We propose a two-step neural network procedure, estimating the transferable component from abundant unlabeled feature pairs that bridge the two input spaces and the non-transferable component from limited labels. We derive prediction risk bounds that improve on those of a non-transfer alternative when the non-transferable component is small or smooth, and the procedure adapts to either case. Under additional conditions, the worst-case risk of our estimator is of strictly smaller polynomial order than the minimax risk of estimation from the labeled data alone. We extend the framework to multiple black boxes, each on its own input space, and show that aggregation can reduce prediction error relative to the best single black box. Simulated and real data demonstrate the practical value of the method.
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Machine Learning (Statistics) · Cross-listed from stat.ME

COMPACT: Spectral Adjustment Scores from a Complete and Irreducible Causal Criterion

Observational datasets frequently contain many baseline variables, yet investigators estimating causal effects may not know which variables to include in the adjustment set. Confounding information may also be distributed weakly across many variables. Propensity scores can simplify adjustment by reducing high-dimensional covariates to a scalar with binary treatment. Although the propensity score is the coarsest balancing score, this distributional optimality does not imply maximal specificity over causal graphs. We instead examine all causal graphs among a candidate score, treatment, and outcome while allowing latent variables. Under faithfulness, we identify the largest set of unconditional and conditional dependence relations whose truth is invariant to whether treatment causes the outcome, leaving treatment-effect estimation to the downstream analysis. This criterion defines the maximally specific graph class expressible through these relations. We then develop the proposed algorithm, which operationalizes the criterion through a generalized eigenvalue problem whose score space targets the span of a balancing coordinate and an outcome-guided coordinate. We show that sufficiently informative proxies can recover this span without direct observation of the adjustment variables, characterize the resulting estimation and causal errors, and establish bootstrap validity for the complete procedure. Simulations and a real-data application demonstrate superior performance over several alternatives.
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Machine Learning (Statistics) · Cross-listed from math.PR

The sharp SAT/UNSAT phase transition in random ellipsoid fitting

Let $x_1,\ldots,x_n$ be independent standard Gaussian vectors in $\mathbb{R}^d$. An ellipsoid fit is a matrix $S \succeq 0$ such that $x_i^\top S x_i =d$ for every $i$, so that all the points lie on the boundary of the centered ellipsoid $\{ x : x^\top S x = d\}$. Saunderson, Parrilo and Willsky conjectured that, as $n,d \to \infty$, this semidefinite feasibility problem undergoes a sharp transition at $n \sim d^2/4$. We prove this conjecture. If $\lim \sup n/d^2 = \alpha^* <1/4$, then, with probability tending to one, an ellipsoid fit exists; moreover, one can choose $S$ with all eigenvalues in a fixed interval $[\lambda_- , \lambda_+] \subset (0,\infty)$ depending only on $\alpha^*$. Conversely, if $\lim \inf n/d^2 > 1/4$, then, with probability tending to one, no ellipsoid fit exists, without any spectral restriction. Our proof builds on the Gaussian-equivalence framework developed by Bandeira and Maillard (2025) and closes the two gaps left open in their work: establishing exact fitting and removing the operator-norm constraint. On the satisfiable side, the new ingredients are a head-tail decomposition of the dual vector, exact correction of the sparse head constraints, and a Gaussian comparison principle for the low-influence tail. On the unsatisfiable side, we split a candidate into a low-rank spectral head and a Schatten-3 diffuse bulk, Gaussianize the bulk conditionally on the head, and apply a projected Gordon escape argument. The threshold is governed by the statistical dimension $d(d+1)/4$ of the positive semidefinite cone.
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Machine Learning (Statistics) · Cross-listed from math.ST

Optimal Inference with Black-box Predictions

Powerful black-box predictive models have motivated many proposals for combining observed data with predictions to perform valid statistical inference. Despite this progress, the field lacks a unifying principle that explains how hypothesis tests should integrate data and predictions in a way that is both valid and efficient. In this work, we address this gap in the high-dimensional Gaussian sequence model. We characterize the information-theoretic limits of inference with black-box predictions when their accuracies are known and, for orthogonal predictions, when they are unknown. Building on these characterizations, we develop practical hypothesis tests that adapt to the unknown accuracies of the predictions while benefiting from strong alignment among them.
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All authors Lucas Kania, Abhinav Chakraborty, Edward Kennedy, Larry Wasserman, Sivaraman Balakrishnan

Machine Learning (Statistics)

Deciding When to Switch: E-Processes for Adaptive Minimax Training for Generative Adversarial Nets

Modern data science increasingly gives rise to hypothesis-testing problems that are not naturally formulated in terms of parameters within prespecified statistical models. One important example is the dynamic evaluation of optimization algorithms, where decisions must be made during training about whether further updates remain beneficial or the algorithm should switch to a different phase. This issue is particularly relevant in stochastic min-max optimization. Generative adversarial networks (GANs) provide a canonical example, as their training requires repeated decisions about when to switch between discriminator and generator updates, yet existing methods typically rely on fixed update ratios or heuristic criteria. We formulate this switching problem as sequential hypothesis testing and develop an e-process-based adaptive training procedure. During discriminator updates, one e-process tests the null that the discriminator-induced separation between the empirical data distribution and the generator law remains below a target level. During generator updates, with the discriminator fixed, a second e-process tests the reverse null that this separation remains above a refresh level. Conditional on the observed training sample, we prove that fresh empirical indices and latent draws yield conditional e-values that can be accumulated into e-processes, providing anytime-valid Type I error control under adaptive model updates and data-dependent switching. Across multimodal synthetic distributions and image benchmark datasets, the proposed method matches or outperforms the best fixed-ratio baselines under several widely used GAN objectives.
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All authors Hyunjoo Kim, Sicheng Wu, Agastya Venkatraman, Guang Lin, Sehwan Kim

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

BDH-CQ: In-Context Learning with Recurrent Latent Reasoning

We introduce BDH-CQ, a reasoning model that combines in-context learning with recurrent latent reasoning. Inputs presented at inference time continuously update the model's recurrent memory; the model then solves a query through iterative computation in a high-dimensional latent space, without verbalizing its intermediate reasoning. We evaluate the model on the public ARC-AGI-1 evaluation set and use controlled ARC-like interventions to study what it learns from demonstrations, how consistently it applies an inferred transformation, and which concepts remain difficult. A 150M-parameter configuration reaches 29.5% pass@2 at a computed inference cost of \$0.0007 per task. This operating point breaks through the previously reported ARC-AGI-1 cost-accuracy Pareto frontier, establishing a new state of the art in benchmark cost efficiency.
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All authors Björn Engdahl, Adrian Kosowski, Jan Chorowski, Zuzanna Stamirowska, Przemysław Uznański, Junlin Jiang, Rohan Phadke, Remigiusz Kinas, Richard Zhong

Machine Learning (Statistics)

Logarithmic-Free Moment and Generalization Bounds for Uniformly Stable Algorithms

Uniform stability is a classical tool for controlling the generalization error of a learning algorithm. Bousquet, Klochkov, and Zhivotovskiy (2020) showed that the problem can be reduced to a moment inequality for a sum of weakly interacting functions of independent random variables. Their bound contains an additional factor $\log n$, and they asked whether this factor can be removed. We answer this upper-bound question affirmatively. More specifically, let $Z=(Z_1,\ldots,Z_n)$ have independent coordinates and let $g_i(Z)$ satisfy $\mathbb E[g_i(Z)\mid Z_{-i}]=0, \ \left| \mathbb E[g_i(Z)\mid Z_i]\right|\le M, \ \text{for every } i = 1, \dots, n, $ where $Z_{-i}$ denotes all coordinates except $Z_i$. Assume additionally that changing any coordinate $Z_j$, $j\neq i$, changes $g_i$ by at most $\beta$, we prove that, for every $p\ge2$, for every $p\ge2$, $$ \left\| \sum_{i=1}^n g_i(Z)\right\|_p \le 16pn\beta+M\sqrt{2pn}. $$ This removes the $\log n$ factor from the previous bound and matches the lower bound of Bousquet, Klochkov, and Zhivotovskiy up to universal constants in the range covered by their construction. Our proof first establishes the required estimate on the Rademacher cube, then transfers it to arbitrary product distributions by a two-copy randomization argument.
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Machine Learning (Statistics) · Cross-listed from math.PR

Langevin dynamics along the zero set of real-analytic potentials

We consider the Langevin diffusion $dX_t = - \beta \nabla V(X_t) dt + \sqrt{2} dB_t$ for a general nonnegative real-analytic potential $V$ and a large parameter $\beta$. In the large-$\beta$ limit the process is confined to the zero set of $V$, assuming that it starts there. We derive a candidate limiting evolution on the zero set. To do so, the zero set is partitioned into strata according to a measure of local codimension known as the local learning coefficient and its multiplicity. It is then shown that the Dirichlet form associated with $X$ converges in a certain sense to a hierarchy of Dirichlet forms corresponding to a stochastic evolution on the strata. This evolution is strongly biased toward higher-dimensional, or "more singular", strata. This result is motivated by a question from Watanabe's singular learning theory regarding the learning dynamics of overparameterized statistical models and the generalization puzzle in deep learning. The result suggests a mechanism for the observation that stochastic gradient methods tend to be biased toward singular solutions that generalize well.
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Machine Learning (Statistics) · Cross-listed from cs.LG

SR-OPSD: Self-Referenced On-Policy Self-Distillation

On-policy self-distillation (OPSD) converts feedback into dense token-level supervision on student-generated trajectories, complementing reinforcement learning with sparse outcome rewards. Its self-teacher, derived from the student's current or exponentially averaged parameters and conditioned on additional context, evolves alongside the student and its rollout context distribution. The benefit of modifying this moving target depends on how target–student probability mismatches translate into updates. We propose Self-Referenced On-Policy Self-Distillation (SR-OPSD), which constructs a normalized geometric target from the self-teacher and a frozen initial policy, then minimizes the forward Rényi divergence from this target to the student. The interpolation coefficient controls the self-teacher's contribution, while the Rényi order controls the power weighting of target-to-student probability ratios in the gradient. For fixed contexts and target components, we establish a conditional variational characterization and derive the exact token-logit gradient, revealing how anchoring and projection jointly shape the effective update target. Experiments across scientific reasoning, tool use, mathematical reasoning, and code generation demonstrate strong performance across multiple model families and scales. Ablations further show that reference anchoring can improve or degrade performance depending on the projection objective, supporting the joint design of target construction and projection geometry.
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All authors Zhuo Sun, Entong Li, Yanlong Zhao, Xiaoyuan Cheng, Wenxuan Yuan, Kaiyu Li, Che Liu, Huihang Liu, Baihua He, Xinyu Zhang, Harrison Bo Hua Zhu, Li Zeng

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

Test-Time Augmentation for LLMs: When Input Diversity Beats Output Diversity at Matched Compute

Test-time scaling improves LLM accuracy but multiplies inference cost, making the accuracy gained per unit of compute the metric that matters in deployment. Self-consistency is one of the established approaches, which spends this budget entirely on the output side by sampling repeated reasoning paths. We study Test-Time Augmentation (TTA), which extends self-consistency by also perturbing the input, aggregating predictions across transformed versions of the input, and ask whether input-side diversity converts compute into accuracy more efficiently than output-side diversity. We perform a systematic, matched-compute comparison: we evaluate three simple input-side strategies (semantic rephrasing, lexical perturbations, and visual transformations) across six datasets covering general and multilingual knowledge, mathematical reasoning, multi-modal question answering, and sentiment classification, against chain-of-thought prompting and self-consistency. Semantic rephrasing delivers consistent and statistically significant accuracy gains while Pareto-dominating self-consistency on cost-effectiveness, delivering roughly 1.8X more accuracy per dollar and outperforming it on five of six tasks. We further analyze the number of augmentations, multi-modal strategies, and base model scaling, finding that TTA is most cost-effective for mid-tier models where a stronger model is unavailable or too expensive. Our findings indicate that for current mid-tier LLMs, varying the input converts inference compute into accuracy more efficiently than varying the reasoning path alone. The TTA implementation is available at https://github.com/aws-samples/sample-genai-reflection-for-bedrock.
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Machine Learning (Statistics) · Cross-listed from math.OC

Entropic Partial Optimal Transport and Partial Gromov–Wasserstein Distance between Gaussian Mixtures

Optimal transport and Gromov–Wasserstein distances are useful tools for comparing probability measures and metric measure spaces, but their balanced formulations force all mass to be matched. This constraint is often too strong for data with outliers, missing parts, or only partial overlap. In this paper, we develop entropic partial optimal transport for Gaussian mixture models and define a partial mixture Gromov–Wasserstein distance. For the finite entropic partial optimal transport problem, we prove the existence and uniqueness of the minimizer and establish quantitative large-penalty estimates. Moreover, the resulting entropic partial component couplings induce continuous partial transport plans through Gaussian optimal maps. We analyze their large-penalty and subsequent zero-entropy limits and construct the associated displacement interpolations and barycentric projection maps. In addition, by identifying each Gaussian mixture with a finite metric measure space of Gaussian components, we establish the metric property and large-penalty limit of the partial mixture Gromov–Wasserstein distance. Finally, numerical experiments on synthetic Gaussian mixtures and point clouds illustrate the effects of the penalty and entropic regularization and the robustness of partial matching to outliers.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Online Learning of Scale Parameters in Score-Driven Filters

A score-driven filter multiplies its scaled log-likelihood score by a scale parameter. We call this coefficient the gain and learn it online. Given the current state and realised scaled score, each admissible gain selects a reachable next state and predictive density. A scalar gain moves along a line; diagonal gains control coordinatewise transmission and may change direction. We evaluate gain selection using a one-step predictive Kullback-Leibler objective. In the scalar unscaled case, the negative consecutive-score product is a stochastic gradient; the positive product used in accelerated recursions is a descent direction. Positive scalar score scaling changes only the effective learning rate. Strictly increasing, continuously differentiable gain links with positive derivative induce mirror-descent geometry, while persistence adds a Bregman pull towards a reference gain. Under convexity, compactness, integrability, and schedule conditions, projected and discounted mirror updates satisfy dynamic-regret bounds relative to time-varying, current-information comparators. Simulations isolate score scaling, link geometry, persistence, and coordinatewise gains. Across twelve equity indices, the bounded discounted-logistic gain records a lower out-of-sample mean negative log score than the constant gain in eleven markets, although market-level evidence is mixed. It also avoids the extreme transients of the numerically capped exponential-link benchmark.
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Machine Learning (Statistics)

CPDA: Class-Conditional Path Distribution Alignment for Unsupervised Time-Series Domain Adaptation

Unsupervised time-series domain adaptation (DA) addresses the challenge of transferring a classifier from a labeled source domain to an unlabeled target domain under distribution shifts induced by different users, sensors, devices, acquisition conditions, or temporal dynamics. Existing methods typically mitigate this shift by aligning marginal feature distributions through adversarial training, optimal transport, or moment-based discrepancies. In this paper, we propose Class-Conditional Path Distribution Alignment (CPDA), a non-adversarial discrepancy-based framework that aligns source and target class-conditional latent path distributions rather than only global feature marginals. CPDA introduces a composite signature-spectral kernel that jointly captures pooled semantic features, temporal path structure, frequency-domain information, and low-rank path-signature dynamics, while using source labels and target soft pseudo-labels to perform class-preserving alignment. We further provide a theoretical analysis showing that CPDA defines a valid kernel discrepancy, admits existing moment-matching methods as restricted cases, and yields a class-conditional target-risk bound. Extensive experiments with CNN, ResNet18, and TCN backbones on 13 different time-series DA benchmarks demonstrate the effectiveness of CPDA against 30 discrepancy, adversarial, and pseudo-labeling baselines.
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Machine Learning (Statistics)

Personalized Federated Learning via Variance-Aware Nonparametric Empirical Bayes

We develop a new approach to Personalized Federated Learning across heterogeneous clients using Nonparametric Empirical Bayes (NPEB). Leveraging the asymptotic normality of local parameter estimates obtained from Empirical Risk Minimization or M-estimation, our method formulates these estimates as noisy observations to estimate an unknown shared prior via Nonparametric Maximum Likelihood. A key challenge in applying NPEB in this setting is that existing approaches assume known fixed variances, which is not true in practice. To address this, we introduce a Variance-Aware Nonparametric Empirical Bayes (VANEB) framework that leverages the parameter-dependent asymptotic variance of local M-estimators. A key technical contribution is a generalized Tweedie's formula for this heteroskedastic setting. We then establish non-asymptotic error rates for density estimation in the average squared Hellinger distance and derive an oracle denoising inequality that provides error bounds for our estimator. While our theoretical guarantees are rooted in the asymptotic regime of M-estimators, we empirically explore heuristic extensions of VANEB to modern federated learning settings involving Deep Neural Networks (DNNs). For DNNs, we propose VANEB-head and VANEB-FT, which personalize the last fully connected layer via an NPEB step using an approximate diagonal variance estimator. We show that our method has strong performance on popular vision datasets MNIST and CIFAR-10, using a convolutional neural network architecture.
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Machine Learning (Statistics) · Cross-listed from cs.AI

Context Is Not Authority: Structured Runtime Governance for Financial Market Agents

Financial agents can turn correct context into an unauthorized effect: a customer-facing commitment, trade, or deployed policy. We present SAGE-Fin, a finance-specific authority-handoff contract that makes the proposed effect, not merely its text, the object of runtime control. SAGE-Fin compiles proposals into typed, adapter-bound candidates; records missing or stale institutional obligations as coverage debt; contracts authority under current market, account, policy, and dialogue state; and requires an exact-artifact receipt whose nominal type matches the consuming response, execution, or policy adapter. Evidence and workflow progress cannot substitute for effect authority, and prior authorization is rechecked after state changes. Across an authored 616-case catalog, five deterministic specifications yield 3,080 outputs; a label-isolated harness obtains 616/616 binary reference-prototype parity, including 3/3 named response-gate fixtures, while 22 tests cover selected paths. These results establish executable conformance, not independent safety accuracy. Separately, SAGE-Fin's response gate processed real customer-facing production requests at a confidential digital-asset platform. An operational team independent of the implementation team reached a strongly positive post-deployment conclusion on practical usefulness and workflow fit, and end-user feedback was also strongly positive. Disclosure permits only the review's independence, stakeholder classes, assessed dimensions, and directional conclusion, so this is qualitative field corroboration rather than an aggregate effect estimate. Three distinct de-identified predecessor failures, with independently confirmed 0/3 interception, ground repeated-emission drift, stale account evidence, and missing escalation state without estimating prevalence or treatment effect.
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All authors Rui Tang, Qiangqiang Liu, Yichi Zhang, Youwei Yang, Xi Chen, Chen Dong

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

Provable Parameter-Free Fixed-Point Algorithms with Linear Convergence Rates

In this paper, we develop provable parameter-free fixed-point algorithms for contractive mappings, with an emphasis on automatically exploiting hidden contractivity without requiring prior knowledge of the contraction factor. Our first method is a parameter-free variant of the Halpern fixed-point iteration with no line-search, bisection, or prior estimate of the contraction factor, while retaining essentially the same per-iteration computational cost as classical fixed-point schemes. We establish explicit linear convergence rates for both the fixed-point residual and the distance to the unique fixed point. The second algorithm is also a parameter-free Halpern method, but it requires a line-search procedure to find a local estimate for the contraction factor, which may need a few additional operator evaluations. This method also enjoys explicit linear convergence guarantees. We further extend these ideas in two directions. First, using the relation between Halpern iterations and Nesterov-type accelerated fixed-point schemes, we derive parameter-free Nesterov-type (three-term) variants that inherit linear convergence in the contractive setting. Second, by combining the proposed fixed-point schemes with Tikhonov regularization, we obtain new methods for solving cocoercive equations and establish an iteration complexity of $\mathcal{O}({\epsilon^{-1}\log(\epsilon^{-1})})$ for computing an $\epsilon$-solution, provided that a valid lower bound on the cocoercivity constant is available. Numerical experiments on several examples demonstrate that the proposed algorithms are competitive with, and often outperform, existing adaptive fixed-point methods. In particular, the methods successfully exploit contractive behavior when it is present on the selected nonexpansive test problems.
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Sunday 9 August

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

Do AI Forecast Ensembles Sample the Correct Conditional Distribution?

Ensemble forecasting aims to sample the conditional distribution of outcomes; whether AI forecast ensembles do this correctly in a joint sense remains largely untested. We train a diffusion model for probabilistic subseasonal coastal sea level forecasts at eight US East Coast tide gauge stations, with sea level derived from reanalysis, and find that marginal and joint forecast quality decouple: positive skill at every station and lead time marginally, while joint spatial structure is worse than climatological draws. A shuffle-based permutation decomposition reveals this failure is invisible to the energy score but detected by the variogram score. Lorenz-96 experiments across 0.7-170 equivalent years show the gap persists regardless of training volume and is reproduced by a linear baseline, indicating structural inadequacy of the learned distribution. A dynamical ensemble does not replicate the failure while a deterministic emulator does, suggesting it is specific to learned emulators rather than ensemble forecasting generally.
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Machine Learning (Statistics)

Physics-Informed Learning for Robust Acoustic Localization with Calibrated Uncertainty

Recent advances in Passive Acoustic Monitoring (PAM) offer an opportunity to obtain ecological spatial point-process data at unprecedented scale. However, realizing this opportunity necessitates the development of accurate and scalable localization methods. In real-world outdoor soundscapes, however, the assumptions underlying classical localization methods such as hyperbolic and score-based localization are routinely violated by multipath dominance, near-field effects, and complex propagation. Under these conditions, classical localization methods become brittle, with extreme errors possible even in small detection arrays. Rather than statistically replacing the underlying physics, we propose a method to refine it and increase robustness outside of ideal operating conditions: a learned model operating on physics-informed acoustic features corrects a fast hyperbolic solver where it produces implausible solutions, substantially reducing catastrophic worst-case errors while matching its median accuracy on field data. We further provide calibrated, geometry-aware uncertainty estimates suitable for propagation into downstream spatial models. Evaluating on distributed microphone arrays in real and simulated outdoor environments, we demonstrate that the proposed method yields robust, uncertainty-aware localization, providing a step toward scalable automated wildlife monitoring in complex acoustic environments.
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All authors Jennifer N. Kampe, Changwoo J. Lee, Xin Shen, Ari Lehtiö, Sandro von Brandenburg, Ossi Nokelainen, David B. Dunson, Otso Ovaskainen

Machine Learning (Statistics)

A Mean-Field Framework for Inference-Time Distributional Control of Diffusion Models

Diffusion models are increasingly used as controllable samplers, whose generations can be steered at inference time according to a chosen reward function. While such rewards are typically defined on individual samples, for many applications it is desirable to steer according to distribution-level rewards, for example to calibrate with population-level information or to encourage diversity. In both cases, simply incorporating the reward gradient into the dynamics, while often effective, comes with few theoretical guarantees on the sampled distribution. For pointwise rewards, recent work has therefore sought to develop a principled framework for targeting a prescribed tilted distribution using particle reweighting. However, an analogous theoretically-grounded approach for distributional rewards is currently lacking. In this work, we formulate inference-time distributional control as targeting a tilted measure under a mean-field framework, and derive a weighted interacting particle scheme to target it in a principled manner. Our framework recovers pointwise-reward steering as a special case, while providing a theoretical foundation for existing batch-level steering methods. Empirically, we verify that the procedure correctly targets the prescribed distribution in tractable low-dimensional settings, and investigate its behaviour in higher-dimensional protein conformation tasks.
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Machine Learning (Statistics)

A Distribution Mapping Approach to Counterfactually Fair Reinforcement Learning

Reinforcement learning (RL) seeks to optimize sequential decisions to maximize population-level benefits over time. However, when deployed in high-stakes settings such as healthcare, RL decisions might systematically restrict some subpopulation's access to valuable services in a manner contrary to the values and goals of stakeholders. Counterfactual fairness (CF) offers a promising framework to address this problem based on causal reasoning. This paper develops a data preprocessing algorithm that, when used in tandem with policy learning, enables CF in RL. Our algorithm relies on a novel quantile distribution mapping method for sequentially estimating the counterfactual states and rewards in the data preprocessing step, subsuming common additivity assumptions used for counterfactual prediction as a special case. We theoretically prove that the per-step level of counterfactual unfairness and infinite-horizon suboptimality gap can be bounded under mild regularity conditions. We also empirically test our algorithm in numerical experiments as well as in application to a real-world interventional digital health dataset.
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All authors Jianhan Zhang, Jitao Wang, John D. Piette, Donglin Zeng, Chengchun Shi, Zhenke Wu

Machine Learning (Statistics)

Multi-kernel spectral clustering: Entrywise eigenvector perturbation bounds and exact recovery

Kernel spectral clustering with a single bandwidth can be inadequate for data exhibiting multiple characteristic pairwise-distance scales, a problem particularly prevalent in the high-dimensional regime. We address this issue through a multi-kernel formulation that aggregates kernels with different bandwidths. The bandwidths are selected as prescribed empirical quantiles of the pairwise squared distances, thereby capturing the relevant distance scales without requiring prior population-scale information. We develop a rigorous theoretical analysis of the resulting method under a general high-dimensional, multi-scale mixture model with heterogeneous cluster centers and covariance geometries. We construct a blockwise constant, low-rank informative approximation to the empirical multi-kernel matrix and establish row-wise $\ell_{2,\infty}$ perturbation bounds for its leading spectral components, as well as for the associated normalized Laplacian matrix. These bounds yield observation-level control of the spectral embedding, which is more informative than conventional global eigenspace perturbation estimates. Under suitable eigen-gap and cluster-separation conditions, we show that approximate $K$-means applied to the multi-kernel spectral embedding achieves exact recovery with high probability.
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All authors Zeqin Lin, Guangming Pan, Zhixiang Zhang, Yinbing Zhou