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Convex-Geometric Error Bounds for Positive-Weight Kernel Quadrature

arXiv.org Machine Learning

Kernel quadrature (KQ) is a kernel-based approach to numerical integration, closely related to Bayesian quadrature (BQ) and probabilistic integration [38, 39, 10]. For sufficiently regular integrands, KQ can exploit spectral structure in a reproducing kernel Hilbert space (RKHS) that is invisible to plain Monte Carlo and thereby converge faster than the usual O(N 1/2) rate in the number of points [3, 28]. Unconstrained kernel-based rules, however, may produce numerically unstable weights, motivating longstanding interest in positively weighted rules [13, 21, 29, 46]. In this paper, positive weights mean nonnegative weights that sum to one, i.e., simplex or convex-combination weights. Whether positive-weight KQ can systematically improve over Monte Carlo is a subtle question. Kernel herding and related constructions suggested fast rates under favorable assumptions [13], but the conditional-gradient viewpoint of Bach et al. [4] clarified that the strongest such assumptions are not generally available in infinite-dimensional RKHSs. Subsequent herding-type analyses in broad RKHS settings have therefore mostly remained at the Monte-Carlo scale, except under additional structure or modified algorithms such as sparse herding variants [31, 44, 43]. Beyond herding, subsampling-based positive KQ methods such as thinning [16, 15] and recombination [21, 24] have obtained rates beyond Monte Carlo, but a general mechanism for such improvement in the simple i.i.d.


Transformers Provably Implement In-Context Reinforcement Learning with Policy Improvement

arXiv.org Machine Learning

We investigate the ability of transformers to perform in-context reinforcement learning (ICRL), where a model must infer and execute learning algorithms from trajectory data without parameter updates. We show that a linear self-attention transformer block can provably implement policy-improvement methods, including semi-gradient SARSA and actor-critic, via explicit parameter constructions. Beyond existence, we design a teacher-mimicking training procedure, analyze its gradient-flow dynamics, and establish the first convergence guarantee in the ICRL literature: under suitable richness conditions on the training MDP distribution, gradient flow converges locally and exponentially to an optimal parameter manifold corresponding to the desired RL update. Empirically, training transformers on randomly generated tabular MDPs confirms these predictions: the learned models recover the parameter structure of our explicit constructions and, when deployed on unseen MDPs, deliver strong in-context control performance. Together, these results illuminate how transformer architectures internalize and execute classical reinforcement learning algorithms in context, bridging mechanistic understanding and training dynamics in ICRL.


Optimal Confidence Band for Kernel Gradient Flow Estimator

arXiv.org Machine Learning

In this paper, we investigate the supremum-norm generalization error and the uniform inference for a specific class of kernel regression methods, namely the kernel gradient flows. Under the widely adopted capacity-source condition framework in the kernel regression literature, we first establish convergence rates for the supremum norm generalization error of both continuous and discrete kernel gradient flows under the source condition $s>ฮฑ_0$, where $ฮฑ_0\in(0,1)$ denotes the embedding index of the kernel function. Moreover, we show that these rates match the minimax optimal rates. Building on this result, we then construct simultaneous confidence bands for both continuous and discrete kernel gradient flows. Notably, the widths of the proposed confidence bands are also optimal, in the sense that their shrinkage rates are greater than, while can be arbitrarily close to, the minimax optimal rates.


Ratio-based Loss Functions

arXiv.org Machine Learning

Algorithms in machine learning and AI do critically depend on at least three key components: (i) the risk function, which is the expectation of the loss function, (ii) the function space, which is often called the hypothesis space, and (iii) the set of probability measures, which are allowed for the specified algorithm. This paper gives a survey of a certain class of loss functions, which we call ratio-based. In supervised learning, margin-based loss functions for classification tasks depending on the product of the output values $y_i$ and the predictions $f(x_i)$ as well as distance-based loss functions depending on the difference of $y_i$ and $f(x_i)$ for regression are common. Distance-based loss functions are in particular useful, if an additive model assumption seems plausible, i.e. the common signal plus noise assumption. However, in the literature, several loss functions proposed for regression purposes have a multiplicative error structure in mind and pay attention to relative errors, i.e. to the ratio of $y_i$ and $f(x_i)$. In this survey article, we systematically investigate such ratio-based loss functions and propose a few new losses, which may be interesting for future research. We concentrate on investigating general properties of ratio-based loss functions like continuity, Lipschitz-continuity, convexity, and differentiability, because these properties play a central role in most machine learning algorithms. Therefore, we do not focus on some specific machine learning algorithm to derive universal consistency, learning rates, or stability results. Instead, we want to enable future research in this direction.


Detecting Changes in Causal Dependence with Kernels and Copulas

arXiv.org Machine Learning

We propose a framework for determining whether the causal dependence of an outcome $Y$ on a covariate $X$ changes at a given time point, given confounders $\boldsymbol{Z}$. For instance, in financial markets, the effect of a market indicator on asset returns may causally change over time. While many existing measures of association can be used to detect changes in joint and marginal distributions, in the absence of strong assumptions on the data generating process none are suitable for detecting changes in the causal mechanism or in the strength of causal relationship. In this work we approach the problem from a fully non-parametric perspective, and treat the causal mechanism as well as the distribution of the data as unknown. We introduce a quantity based on the integrated difference between kernel mean embeddings of certain conditionals copula, which is provably equal to zero if the causal dependence does not change and strictly positive else. A near-linear time estimator for the quantity is proposed, with rates of convergence explicitly spelled out. Extensive experiments demonstrate that the proposed statistic achieves high accuracy on multiple synthetic and real-world datasets. We additionally show how the proposed statistic can be used for change point detection when the goal is to detect changes in causal dependence occurring at an unknown times.


CITE: Anytime-Valid Statistical Inference in LLM Self-Consistency

arXiv.org Machine Learning

Large language models often improve reasoning by sampling multiple outputs and aggregating their final answers, but precise and efficient control of error levels remains a challenging task. In particular, deciding when to stop sampling remains difficult when the stopping rule is data-dependent and the set of possible response labels is not known in advance. We study anytime-valid certification of a prespecified target answer as the unique mode of the model's response distribution, a guarantee distinct from answer correctness. We propose the Certification by Intersection-union Testing with Eprocesses (CITE) algorithm, which provably controls false certification at any prescribed level under arbitrary data-driven stopping, without requiring prior knowledge of the answer category set. We also prove a category-set-size-free stopping-time rate, establish matching minimax lower bounds up to constants in the main regime, and extend the construction to confidence-weighted voting. Simulations and LLM self-consistency experiments show empirical error control and improved certification in diffuse-tail settings.


Tuning Derivatives for Causal Fairness in Machine Learning

arXiv.org Machine Learning

Artificial-intelligence systems are becoming ubiquitous in society, yet their predictions typically inherit biases with respect to protected attributes such as race, gender, or age. Classical fairness notions, most notably Statistical Parity (SP), demand that predictions be independent of the protected attributes, but are overly restrictive when these attributes influence mediating variables that are considered business necessities. Recent causal formulations relax SP by distinguishing allowed from not-allowed causal paths and by complementing SP with Predictive Parity (PP), requiring the predictor to replicate the legitimate influence of business-necessities. Existing path-based definitions are mainly practical when applied to categorical attributes. This paper introduces a new framework for fairness in structural causal models that is tailored to continuous protected attributes. We formalize SP and PP through path-specific partial derivatives, establish conditions under which these criteria coincide with prior causal definitions, and characterize when a fair predictor, one that satisfies SP along not-allowed paths while achieving PP along allowed paths, exists. Building on this theory, we propose a fair tuning algorithm that either constructs such a predictor or, when not possible, allows for a trade-off between SP and PP. We present experiments on simulated and real data to evaluate our proposal, compare it with previously proposed methods, and show that it performs better when PP is considered.


Sharper Guarantees for Misspecified Kernelized Bandit Optimization

arXiv.org Machine Learning

Existing guarantees for misspecified kernelized bandit optimization pay for misspecification through kernel complexity: in generic offline bounds, the misspecification level $\varepsilon$ is multiplied by $\sqrt{d_\mathrm{eff}}$, where $d_\mathrm{eff}$ is the kernel effective dimension, while in online regret bounds, the corresponding penalty is $\sqrt{ฮณ_n}\,n\varepsilon$, where $ฮณ_n$ is the maximum information gain after $n$ rounds of interaction. In this work, we show that, for a large class of kernels, the misspecification amplification can be reduced to logarithmic or polylogarithmic growth. In the offline setting, we first prove high-probability simple-regret bounds whose misspecification term is governed by a spectral Lebesgue constant. This yields logarithmic amplification for one-dimensional monotone spectra and polylogarithmic amplification for multivariate Fourier-diagonal product kernels. In the online setting, we modify a domain-splitting algorithm and prove a cumulative regret bound of $\widetilde{\mathcal O}(\sqrt{ฮณ_n n}+n\varepsilon)$ under mild localized eigendecay assumptions, removing the extra $\sqrt{ฮณ_n}$ factor from the misspecification term. The common principle is localization: spectral localization controls the Lebesgue constant of the offline approximation operator, while domain splitting implements the spatial analogue of this mechanism in the online setting, preventing local misspecification errors from being amplified globally.


Towards Reliable LLM Evaluation: Correcting the Winner's Curse in Adaptive Benchmarking

arXiv.org Machine Learning

Adaptive prompt and program search makes LLM evaluation selection-sensitive. Once benchmark items are reused inside tuning, the observed winner's score need not estimate the fresh-data performance of the full tune-then-deploy procedure. We study inference for this procedure-level target under explicit tuning budgets. We propose SIREN, a selection-aware repeated-split reporting protocol that freezes the post-search shortlist, separates splitwise selection from held-out evaluation, and uses an item-level Gaussian multiplier bootstrap for uncertainty quantification. In a fixed-shortlist regime with smooth stabilized selection, the estimator admits a first-order item-level representation, and the bootstrap yields valid simultaneous inference on a finite budget grid. This supports confidence intervals for procedureperformance curves and pre-specified equal-budget and cross-budget comparisons. Controlled simulations and MMLU-Pro tuning experiments show that winnerbased reporting can be optimistic and can change deployment conclusions, while SIREN remains close to the finite-sample reporting target. Codes are available at https://github.com/jznmsl/siren.


TabCF: Distributional Control Function Estimation with Tabular Foundation Models

arXiv.org Machine Learning

Instrumental variable (IV) and control function (CF) methods are powerful tools for causal effect estimation in the presence of unmeasured confounding, yet most existing approaches target only mean effects and/or demand substantial fitting and tuning effort. In this paper, we introduce a simple method, TabCF, for control function regression using tabular foundation models, which enables accurate, fast, identification-transparent, and tuning-light causal estimation of distributional quantities, such as interventional means and quantiles; we also propose a copula-based approximation for multivariate outcomes. TabCF performs favorably against representative methods across a broad range of small- to medium-sized synthetic and real data scenarios. The central message is two-fold: for practitioners, it highlights that TabCF is an effective tool for distributional causal inference; for researchers, it suggests that the proposed approach could be considered a strong baseline for future method development. Code is available at https://github.com/GepingChen/TabCF.