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Eigen-Spike Emergence and Quadratic Equivalents for Conjugate Kernels on Nonlinearly Separable Data

arXiv.org Machine Learning

Recent work in random matrix theory (RMT) has developed the notion of deterministic equivalents: typically linear surrogate models that approximate the spectral behavior of large nonlinear random matrices, such as nonlinear feature maps in neural networks (NNs). On the one hand, these deterministic equivalents make theoretical predictions tractable by reducing a complex model to a simpler model with properties that fall under the umbrella of classical RMT tools. However, this leaves open the question of whether this idealized linear equivalence remains meaningful when dealing with high-dimensional nonlinearly separable data, such as performing clssification on nonlinearly separable data. Motivated by this, we consider the conjugate kernel (CK), which is the nonlinear feature map of a feedforward NN, under a canonical nonlinearly separable dataset, the XOR problem; and we use the study of informative outlier eigenvalues in the CK and whether their corresponding eigenvectors asymptotically align with XOR labels as a proxy for nonlinear learnability. We develop a robust quadratic equivalent to the spiked CK matrix that enables a precise analysis of emergent informative spikes, as one modifies various knobs common in ML practice: sample complexity, signal-to-noise ratio (SNR), nonlinear activation choice, and pretrained features. In each of these scenarios, we derive a precise BBP-type phase transition in which linear classification via the CK eigenvectors becomes possible. Our analysis helps translate the power of deterministic equivalence tools in RMT to study problems of practical relevance in ML.


Kernel Renormalization in Bayesian Deep Neural Networks: the Equivalent Wishart Ansatz in the Proportional Regime

arXiv.org Machine Learning

The scaling limit where both the size of the training set $P$ and the width $N$ of a deep neural network grow at the same rate, the so-called proportional-width regime, has been intensely studied for shallow, single-hidden-layer networks. However, extending these non-perturbative results from shallow architectures to deep non-linear networks has proven very challenging. Here we present an effective approximate approach to predict the generalization performance of Bayesian multi-layer perceptrons (MLPs) of fixed depth $L$ on arbitrary high-dimensional data. We propose an equivalent Wishart Ansatz to capture the dominant stochastic fluctuations of the hierarchical empirical kernels of MLPs. This allows us to perform a large deviation analysis for the partition function of MLPs in the proportional limit, expressed in terms of a renormalized NNGP kernel. In this description, even strong representation learning in the proportional limit is encoded in at most $L$ scalar order parameters, determined self-consistently. Extending the approach to convolutional architectures (CNNs), we identify a hierarchical local kernel renormalization mechanism, which allows to quantify more complex data-dependent transformations of the large-width kernel in CNNs due to finite-width effects. We test our effective theory against sampling experiments from the Bayesian posterior of finite deep neural networks with depths $L \sim O(10)$ and $P\sim O(10^3)$ on classic benchmark datasets, finding overall very good agreement together with two distinct types of systematic deviations.


Semiparametrically Efficient Inference for Kernel Measures of Noise Heterogeneity

arXiv.org Machine Learning

We develop semiparametrically efficient inference for kernel measures of noise heterogeneity in additive noise models. In many applications, the regression function is estimated using flexible machine learning methods. Downstream procedures based on the resulting residuals can then inherit first-stage bias: regression error may induce spurious dependence between covariates and residuals, invalidating the assumptions needed for standard analysis. We construct a novel Hilbert-valued one-step estimator of the kernel covariance operator between covariates and residuals. Our estimator yields bootstrap-calibrated tests for residual independence and goodness of fit in additive noise models, while also providing asymptotically efficient confidence intervals for the kernel dependence measure under noise heterogeneity. The framework extends to settings with additional covariates, enabling inference on distributional heterogeneity of residual noise across treatment groups. Simulations show improved calibration and power relative to naive plug-in residual methods.


Triangular-Reference Schrödinger Bridges for Time Series Generation

arXiv.org Machine Learning

We introduce Triangular-Reference Schrödinger Bridges for Time Series (TR-SBTS), a conservative extension of the SBTS framework in which the Brownian reference is replaced by an intervalwise frozen, possibly degenerate diffusion reference, triangular across a hierarchy of latent volatility levels. The construction is a single entropy projection on the augmented state space, with the variational constraint imposed jointly across time and the latent levels and unfolded hierarchically by the disintegration of relative entropy. The variational core of SBTS is preserved: the entropy minimiser is the h-transform of the reference, and on each frozen interval the optimal dynamics admit a logarithmic-gradient drift formula on the affine leaves of the active covariance directions, valid even when the frozen covariance is rank-deficient. We establish stability of the frozen approximation and convergence of the corresponding regularised kernel estimators. The construction is realised through a finite-dimensional conditioning map assembled from three complementary reductions of the past -- a block PCR summary, a reference-aware Mahalanobis kernel on past increments induced by the runtime frozen covariance cumulants, and a past-window WLS drift regressor under the same reference metric -- together with a coupled state-covariance bridge step in which each latent level produces a dynamic reference for the level above, summarised by a covariance descriptor; the construction is evaluated on numerical experiments.


The General Theory of Localization Methods

arXiv.org Machine Learning

This paper proposes a general machine learning framework called the localization method, which is fundamentally built on two core concepts: localization kernels and local means -- key components that underpin the self-attention mechanism. To establish a rigorous theoretical foundation, the framework is formally defined through two essential pillars: the formulation of the local(-ized) model and the localization trick. We systematically investigate the connections between the localization method and a wide range of existing machine learning models/methods, including (but not limited to) kernel methods, lazy learning, the MeanShift algorithm, relaxation labeling, Hopfield networks, local linear embedding (LLE), fuzzy inference, and denoising autoencoders (DAEs). By dissecting these relationships, we clarify the broader theoretical significance of the localization method and demonstrate its practical applicability across diverse machine learning tasks. Furthermore, we explore advanced extensions of the framework, such as adaptive kernels, hierarchical local models, and non-local models. Notably, we show that the Transformer -- a cornerstone of modern sequence modeling -- can be constructed using hierarchical local models, revealing the ability of the localization method to unify and generalize state-of-the-art architectures. This work not only provides a unified theoretical lens to reinterpret existing models but also offers new methodological tools for designing flexible, data-adaptive learning systems.


Nonparametric Instrumental Variable Analysis Without Structural Equations: Debiased Inference on Functionals of Inverse Problems with No Solutions

arXiv.org Machine Learning

Instrumental variable (IV) analyses generally start by posing a structural equation: Y = hstructural(X)+ϵ, (1) where hstructural represents the causal effect of X on Y, and X and ϵ may be endogenous (E[ϵ | X] = 0). Then given an exogenous instrument Z satisfying the exclusion restriction, the common statistical solution given joint observations of W = (X,Y,Z) P is to conduct inference on some continuous linear functional h 7 EP[m(W;h)] of a solution h H to the linear equation implied by exclusion: TPh = rP, (2) where TP: H G maps h 7 argming GEP(h(X) g(Z))2, rP = argminr GEP(Y r(Z))2, and H, G are closed linear subspaces of square-integrable functions of X and of Z, respectively. For example, if these are all square-integrable functions, then (TPh)(Z) = EP[h(X) | Z] is the conditional expectation.


Transformers Can Learn Posterior Predictive Distributions In-Context

arXiv.org Machine Learning

Prior-data fitted networks (PFNs) have recently emerged as a powerful approach for Bayesian prediction tasks, approximating the posterior predictive distribution (PPD) through in-context learning. Despite their strong empirical performance and ability to go beyond point predictions, theoretical understandings of the algorithmic capability of transformers to learn distributions in context are still lacking. Focusing on Gaussian process regression problems, we show by construction that transformers can implement a gradient descent algorithm targeting the posterior predictive mean and variance, followed by nonlinear mappings that yield binned probabilities of PPD. We study the error bounds of the approximated PPD in terms of attention depth and bin resolution. Based on these results, we further demonstrate the key role of normalization and the choice of attention depth in enabling the extrapolation abilities of transformers beyond the pretraining sample size range. We conduct simulations that corroborate our findings, providing insight into the expressivity of PFNs targeting PPDs and how architectural choices may influence generalization capabilities.


Score-Repellent Monte Carlo: Toward Efficient Non-Markovian Sampler with Constant Memory in General State Spaces

arXiv.org Machine Learning

History-dependent sampling can reduce long-run Monte Carlo variance by discouraging redundant revisits, but existing schemes typically encode history through empirical measure on finite state spaces, which is infeasible in high-dimensional discrete configuration spaces or ill-posed in continuous domains. We propose Score-Repellent Monte Carlo (SRMC) framework that summarizes trajectory history by a running average of score evaluations in $\mathbb{R}^d$, where $d$ is the dimension of the score and state representation. This history is converted into a surrogate target through an exponential score tilt, indexed with $α$ that represents the strength of repellence in controlling the magnitude of the history-based repulsion. The surrogate family is normalization-free in the standard MCMC sense, yielding a generic wrapper: at each iteration, any base kernel targeting $π$ can instead be run on the current surrogate $π_{θ_n}$ while the history is updated online. We analyze the coupled evolution of the history recursion and Monte Carlo estimators using stochastic approximation with controlled Markovian noise, establishing almost sure convergence and a joint central limit theorem. We further identify regimes in which the asymptotic covariance decreases as $α$ increases, with scaling $O(1/α)$, extending the near-zero-variance effect of finite-state history-dependent samplers to general state spaces with constant memory. Experiments on continuous targets and discrete energy-based models demonstrate improved estimator variance and mode coverage, while retaining $O(d)$ memory usage and modest per-iteration overhead.


Finite-Particle Convergence Rates for Conservative and Non-Conservative Drifting Models

arXiv.org Machine Learning

We propose and analyze a conservative drifting method for one-step generative modeling. The method replaces the original displacement-based drifting velocity by a kernel density estimator (KDE)-gradient velocity, namely the difference of the kernel-smoothed data score and the kernel-smoothed model score. This velocity is a gradient field, addressing the non-conservatism issue identified for general displacement-based drifting fields. We prove continuous-time finite-particle convergence bounds for the conservative method on $\R^d$: a joint-entropy identity yields bounds for the empirical Stein drift, the smoothed Fisher discrepancy of the KDE, and the squared center velocity. The main finite-particle correction is a reciprocal-KDE self-interaction term, and we give deterministic and high-probability local-occupancy conditions under which this term is controlled. We keep the quadrature constants explicit and track their possible bandwidth dependence: the root residual-velocity rate $N^{-1/(d+4)}$ holds under an additional $h$-uniform quadrature regularity condition, while a more general growth condition yields the optimized root rate $N^{-(2-β)/(2(d+4-β))}$, where $0\le β<2$. We also analyze the non-conservative drifting method with Laplace kernel, corresponding to the original displacement-based velocity proposed in Deng et al., 2026 (arxiv:2602.04770). For this method, a sharp companion kernel decomposes the velocity into a positive scalar preconditioning of a sharp-score mismatch plus a Laplace scale-mismatch residual, producing an analogous finite-particle rate with an unavoidable residual term. Finally, we explain how the continuous-time residual-velocity bounds translate into one-step generation guarantees through the explicit drift size $η$.


Learning Kernel-Based MDPs from Episodic Preferential Feedback

arXiv.org Machine Learning

Human feedback often arrives as preferences rather than calibrated numeric rewards, motivating reinforcement learning from preferential feedback, also referred to as reinforcement learning from human feedback (RLHF). We present a rigorous theoretical study of preference-only learning in episodic kernel MDPs. In each episode, the learner deploys two policies from a common start state and receives a single binary label indicating which trajectory is preferred, modeled by a Bradley--Terry--Luce link on the difference of cumulative (unobserved) rewards. Under kernel-based assumptions on the reward and transition functions (one of the most general models amenable to theoretical analysis) we develop preference-based value estimation and confidence sets tailored to end-of-episode comparisons. We prove high-probability regret bounds that scale sublinearly in the number of episodes, implying that the value of the learned policy converges to that of the optimal policy.