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A Theory of Generalization in Deep Learning

arXiv.org Machine Learning

We present a non-asymptotic theory of generalization in deep learning where the empirical neural tangent kernel partitions the output space. In directions corresponding to signal, error dissipates rapidly; in the vast orthogonal dimensions corresponding to noise, the kernel's near-zero eigenvalues trap residual error in a test-invisible reservoir. Within the signal channel, minibatch SGD ensures that coherent population signal accumulates via fast linear drift, while idiosyncratic memorization is suppressed into a slow, diffusive random walk. We prove generalization survives even when the kernel evolves $\mathcal{O}(1)$ in operator norm, the full feature-learning regime. This theory naturally explains disparate phenomena in deep learning theory, such as benign overfitting, double descent, implicit bias, and grokking. Lastly, we derive an exact population-risk objective from a single training run with no validation data, for any architecture, loss, or optimizer, and prove that it measures precisely the noise in the signal channel. This objective reduces in practice to an SNR preconditioner on top of Adam, adding one state vector at no extra cost; it accelerates grokking by $5 \times$, suppresses memorization in PINNs and implicit neural representations, and improves DPO fine-tuning under noisy preferences while staying $3 \times$ closer to the reference policy.


The Partial Testimony of Logs: Evaluation of Language Model Generation under Confounded Model Choice

arXiv.org Machine Learning

Offline evaluation of language models from usage logs is biased when model choice is confounded: the same user-side factors that influence which model is used can also influence how its output is judged, so raw comparisons of logged scores mix self-selected populations rather than estimating a common quantity of interest. A small randomized experiment can break this bias by overriding model choice, but in practice such experiments are scarce and costly. We study a three-source design that combines a large confounded observational log (OBS) for scale, a small randomized experiment (EXP) for unconfounded scoring, and an offline simulator (SIM) that replays candidate models on cached contexts. Our main result is an identification theorem showing that the randomized experiment and the simulator are together enough to recover causal model values; the observational log enters only afterward, to reduce estimation error rather than to make the causal comparison valid. Six estimator families are evaluated in a controlled semi-synthetic validation and in two real-task cached benchmarks for summarization and coding. No family dominates every regime; relative performance depends on the amount of unbiased EXP supervision and on how closely the target reward aligns with OBS-derived structure.


Mean Testing under Truncation beyond Gaussian

arXiv.org Machine Learning

We characterize the fundamental limits of high-dimensional mean testing under arbitrary truncation, where samples are drawn from the conditional distribution $P(\cdot \mid S)$ for an unknown truncation set $S$ that may hide up to an $\varepsilon$-fraction of the probability mass. For distributions with $p$-th directional moments of magnitude at most $ฮฝ_{P,p}$, truncation induces a bias of order $O(ฮฝ_{P,p}\varepsilon^{1-1/p})$. This bias creates a sharp information-theoretic detectability floor: when the signal $ฮฑ$ falls below this threshold, the null and alternative hypotheses are indistinguishable even with infinite data. Above this floor, we prove that a simple second-order test achieving near-optimal sample complexity $n = O\!\left(\frac{\|ฮฃ_P\|}{(ฮฑ-4ฮฝ_{P,p}\varepsilon^{1-1/p})^2}\sqrt{d}\right)$. We further identify a structural escape from this finite-moment bias barrier. Under a directional median regularity assumption, truncation bias improves to linear order $O(\varepsilon)$. This reveals an intermediate regime in which estimation requires $ฮ˜(d)$ samples for uniform recovery, while testing recovers the classical $ฮ˜(\sqrt d)$ rate once truncation bias is eliminated. Together, our results provide a unified framework for mean testing under truncation, connecting finite-moment, sub-Gaussian, and median-regular structural regimes.


Evaluating LLMs on Large-Scale Graph Property Estimation via Random Walks

arXiv.org Machine Learning

With the rapidly improving reasoning abilities of Large Language Models (LLMs), there is also a rising demand to use them in a wide variety of domains. This brings about the need to carefully evaluate the limits of the capabilities of these models with various tests and benchmarks. Graph structures are ubiquitous in real-world data, and are often used to represent and analyze relationship patterns within data. Many benchmarks have already been proposed in the graph literature to test the reasoning ability of LLMs to follow and execute graph algorithms. However, due to the limited context length of LLMs, these benchmarks consist of very small graphs. In real-world data, the size of graphs can be significantly larger, and in many cases, not fully accessible. In this paper, we examine a class of problems that arises with very large graphs having limited accessibility. We propose a large graph benchmark dataset, EstGraph, and introduce four distinct tasks designed to estimate large graph properties. We evaluate the reasoning abilities of LLMs on these tasks using a wide variety of graph datasets. In addition, we provide task-specific prompt constructions based on random walk sampling of large graphs (up to millions of nodes) that effectively convey sufficient information to LLMs within the limits of context length.


Stabilizing Private LASSO under Heterogeneous Covariates via Anisotropic Objective Perturbation

arXiv.org Machine Learning

We study high-dimensional LASSO under differential privacy via objective perturbation with heterogeneous covariate scales. In practical scenarios, covariates often exhibit diverse scales; however, standard preprocessing is problematic under privacy constraints, as it consumes additional privacy budget. This heterogeneity induces effective anisotropy in the objective perturbation via the inverse Gram matrix of covariates, which can degrade the stability and accuracy of algorithms. To address this, we propose a Gram-based anisotropic objective perturbation, a ``pre-distortion" strategy that counteracts the distortion from the covariate structure to restore isotropy in the estimation process. Using an Approximate Message Passing (AMP) framework and state evolution analysis, we demonstrate that our proposed perturbation significantly stabilizes convergence and improves both statistical efficiency and privacy performance compared to standard uniform noise injection. Our results provide theoretical insights into designing stable and efficient private estimators without relying on data-dependent preprocessing.


Why Model Selection Fails in Time Series Forecasting: An Empirical Study of Instability Across Data Regimes

arXiv.org Machine Learning

Time series forecasting models often exhibit inconsistent performance across datasets with varying statistical and structural properties. Despite the wide range of available forecasting techniques, it remains unclear whether model selection can be reliably guided by simple data characteristics. This paper investigates why rule-based model selection fails in time series forecasting by analyzing the relationship between data-regime descriptors and model performance. A descriptor-based framework is introduced to characterize time series using measurable properties, including trend strength, seasonality, noise level, and temporal dependence. Based on these descriptors, a rule-based selection mechanism is formulated to map data regimes to candidate forecasting models. The approach is evaluated on multiple real-world datasets across different domains and forecasting horizons. The results show that rule-based model selection achieves low accuracy, with correct model identification occurring in only a small fraction of cases. Significant discrepancies are observed between recommended and empirically optimal models, particularly in noisy and mixed regimes. Further analysis reveals that model performance is highly sensitive to both dataset characteristics and forecasting horizon, resulting in substantial ranking instability across scenarios. These findings explain why simple heuristic rules fail to generalize and demonstrate that forecasting performance cannot be reliably predicted using static, descriptor-based approaches. This study provides empirical evidence that model selection in time series forecasting is inherently context-dependent and highlights the need for more adaptive, data-driven strategies.


Persistent Homology of Time Series through Complex Networks

arXiv.org Machine Learning

We present a unified pipeline for univariate time series classification via complex networks and persistent homology. A time series is mapped to a graph through one of five constructions across three families--visibility (natural and horizontal visibility graphs), transition, and proximity--and the graph is converted to a dissimilarity matrix from which a Vietoris-Rips filtration yields persistence diagrams. These diagrams are vectorized into fixed-length features through persistence landscapes and topological summary statistics. By standardizing the downstream processing, differences in classification performance are attributable to the network construction and distance metric alone. Experiments on twelve UCR benchmarks show that (i) no single construction dominates: the optimal graph type depends on the signal's discriminative structure; (ii) the graph distance metric is a first-order design choice, with diffusion distance uniformly outperforming shortest-path alternatives; and (iii) persistence-based features degrade gracefully under noise, consistent with the classical stability theorem of persistent homology.


Self-Normalized Martingales and Uniform Regret Bounds for Linear Regression

arXiv.org Machine Learning

Self-normalized martingale inequalities lie at the heart of confidence ellipsoids for online least squares and, more broadly, many bandit and reinforcement-learning results. Yet existing vector and scalar results typically rely on bounded covariates and an explicit regularization matrix, producing bounds that are \emph{not scale-invariant}: although the self-normalized quantity is scale-invariant by definition, its standard upper bounds are not. We characterize when scale-invariant upper bounds on self-normalized martingales are possible. Without further assumptions, we prove that nontrivial scale-invariant bounds exist only in dimension $d=1$; moreover, in $d=1$ we obtain $O(\log T)$ scale-invariant self-normalized bounds without any assumptions on the covariates. In contrast, for $d>1$ we show that no nontrivial scale-invariant bound can hold in full generality. We then connect this dichotomy to \emph{doubly-uniform} regret in online linear regression (i.e., regret bounds that are simultaneously independent of the covariate scale and the comparator norm) and use it to resolve the open question of Gaillard, Gerchinovitz, Huard, and Stoltz, \emph{``Uniform regret bounds over $\mathbb{R}^d$ for the sequential linear regression problem with the square loss''} (ALT 2019): in $d=1$ we give an explicit algorithm with $O(\log T)$ doubly-uniform regret, whereas for $d>1$ sublinear doubly-uniform regret is impossible. Finally, under a natural \emph{smoothness} condition (bounded Radon--Nikodym derivatives of the conditional covariate laws with respect to a fixed base measure), we recover sublinear regret for $d>1$ without bounded covariates and derive a self-normalized concentration inequality free of the usual regularization penalties, yielding arguably a first natural scale-invariant bound for adaptive, non-i.i.d. vector martingales.


Missingness-aware Data Imputation via AI-powered Bayesian Generative Modeling

arXiv.org Machine Learning

Missing data imputation remains a fundamental challenge in modern data science, especially when uncertainty quantification is essential. In this work, we propose MissBGM, an AI-powered missing data imputation method via Bayesian generative modeling that bridges the expressive flexibility of neural networks with the statistical rigor of Bayesian inference. Unlike existing methods that often focus on point estimates or treat the missingness mechanism implicitly, MissBGM explicitly and jointly models the data-generating and missingness mechanisms, providing principled posterior uncertainty over imputations rather than a single point estimate. We develop a stochastic optimization framework with alternating updates among missing values, model parameters, and latent variables until convergence. Our theoretical analysis shows that estimates of missing values from MissBGM converge consistently under mild assumptions. Empirically, we demonstrate that MissBGM achieves superior performance over traditional imputers and recent neural network-based methods across extensive experimental settings. These results establish MissBGM as a principled and scalable solution for modern missing data imputation.


Stable GFlowNets with Probabilistic Guarantees

arXiv.org Machine Learning

Generative Flow Networks (GFlowNets) learn to sample states proportional to an unnormalized reward. Despite their theoretical promise, practical training is often unstable, exhibiting severe loss spikes and mode collapse. To tackle this, we first assess the sensitivity of GFlowNet objectives, demonstrating that a small Total Variation (TV) distance between the learned and target distributions does not preclude unbounded training loss. Motivated by this mismatch, we establish converse guarantees by deriving loss-to-TV bounds that certify global fidelity from bounded trajectory balance losses. Lastly, we propose Stable GFlowNets, an algorithm that leverages our theoretical results to stabilize training, and empirically demonstrate improved training behavior and superior distributional fidelity.