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 Statistical Learning


Probabilistic function-on-function nonlinear autoregressive model for emulation and reliability analysis of dynamical systems

arXiv.org Machine Learning

Constructing accurate and computationally efficient surrogate models (or emulators) for predicting dynamical system responses is critical in many engineering domains, yet remains challenging due to the strongly nonlinear and high-dimensional mapping from external excitations and system parameters to system responses. This work introduces a novel Function-on-Function Nonlinear AutoRegressive model with eXogenous inputs (F2NARX), which reformulates the conventional NARX model from a function-on-function regression perspective, inspired by the recently proposed $\mathcal{F}$-NARX method. The proposed framework substantially improves predictive efficiency while maintaining high accuracy. By combining principal component analysis with Gaussian process regression, F2NARX further enables probabilistic predictions of dynamical responses via the unscented transform in an autoregressive manner. The effectiveness of the method is demonstrated through case studies of varying complexity. Results show that F2NARX outperforms state-of-the-art NARX model by orders of magnitude in efficiency while achieving higher accuracy in general. Moreover, its probabilistic prediction capabilities facilitate active learning, enabling accurate estimation of first-passage failure probabilities of dynamical systems using only a small number of training time histories.


DCD: Decomposition-based Causal Discovery from Autocorrelated and Non-Stationary Temporal Data

arXiv.org Machine Learning

Multivariate time series in domains such as finance, climate science, and healthcare often exhibit long-term trends, seasonal patterns, and short-term fluctuations, complicating causal inference under non-stationarity and autocorrelation. Existing causal discovery methods typically operate on raw observations, making them vulnerable to spurious edges and misattributed temporal dependencies. We introduce a decomposition-based causal discovery framework that separates each time series into trend, seasonal, and residual components and performs component-specific causal analysis. Trend components are assessed using stationarity tests, seasonal components using kernel-based dependence measures, and residual components using constraint-based causal discovery. The resulting component-level graphs are integrated into a unified multi-scale causal structure. This approach isolates long- and short-range causal effects, reduces spurious associations, and improves interpretability. Across extensive synthetic benchmarks and real-world climate data, our framework more accurately recovers ground-truth causal structure than state-of-the-art baselines, particularly under strong non-stationarity and temporal autocorrelation.


Full-Batch Gradient Descent Outperforms One-Pass SGD: Sample Complexity Separation in Single-Index Learning

arXiv.org Machine Learning

It is folklore that reusing training data more than once can improve the statistical efficiency of gradient-based learning. However, beyond linear regression, the theoretical advantage of full-batch gradient descent (GD, which always reuses all the data) over one-pass stochastic gradient descent (online SGD, which uses each data point only once) remains unclear. In this work, we consider learning a $d$-dimensional single-index model with a quadratic activation, for which it is known that one-pass SGD requires $n\gtrsim d\log d$ samples to achieve weak recovery. We first show that this $\log d$ factor in the sample complexity persists for full-batch spherical GD on the correlation loss; however, by simply truncating the activation, full-batch GD exhibits a favorable optimization landscape at $n \simeq d$ samples, thereby outperforming one-pass SGD (with the same activation) in statistical efficiency. We complement this result with a trajectory analysis of full-batch GD on the squared loss from small initialization, showing that $n \gtrsim d$ samples and $T \gtrsim\log d$ gradient steps suffice to achieve strong (exact) recovery.


Transformers as Measure-Theoretic Associative Memory: A Statistical Perspective and Minimax Optimality

arXiv.org Machine Learning

Transformers excel through content-addressable retrieval and the ability to exploit contexts of, in principle, unbounded length. We recast associative memory at the level of probability measures, treating a context as a distribution over tokens and viewing attention as an integral operator on measures. Concretely, for mixture contexts $ν= I^{-1} \sum_{i=1}^I μ^{(i^*)}$ and a query $x_{\mathrm{q}}(i^*)$, the task decomposes into (i) recall of the relevant component $μ^{(i^*)}$ and (ii) prediction from $(μ_{i^*},x_\mathrm{q})$. We study learned softmax attention (not a frozen kernel) trained by empirical risk minimization and show that a shallow measure-theoretic Transformer composed with an MLP learns the recall-and-predict map under a spectral assumption on the input densities. We further establish a matching minimax lower bound with the same rate exponent (up to multiplicative constants), proving sharpness of the convergence order. The framework offers a principled recipe for designing and analyzing Transformers that recall from arbitrarily long, distributional contexts with provable generalization guarantees.


New explanations and inference for least angle regression

arXiv.org Machine Learning

Efron et al. (2004) introduced least angle regression (LAR) as an algorithm for linear predictions, intended as an alternative to forward selection with connections to penalized regression. However, LAR has remained somewhat of a "black box," where some basic behavioral properties of LAR output are not well understood, including an appropriate termination point for the algorithm. We provide a novel framework for inference with LAR, which also allows LAR to be understood from new perspectives with several newly developed mathematical properties. The LAR algorithm at a data level can viewed as estimating a population counterpart "path" that organizes a response mean along regressor variables which are ordered according to a decreasing series of population "correlation" parameters; such parameters are shown to have meaningful interpretations for explaining variable contributions whereby zero correlations denote unimportant variables. In the output of LAR, estimates of all non-zero population correlations turn out to have independent normal distributions for use in inference, while estimates of zero-valued population correlations have a certain non-normal joint distribution. These properties help to provide a formal rule for stopping the LAR algorithm. While the standard bootstrap for regression can fail for LAR, a modified bootstrap provides a practical and formally justified tool for interpreting the entrance of variables and quantifying uncertainty in estimation. The LAR inference method is studied through simulation and illustrated with data examples.


Balanced Meta-Softmax for Long-Tailed Visual Recognition

Neural Information Processing Systems

Deep classifiers have achieved great success in visual recognition. However, real-world data is long-tailed by nature, leading to the mismatch between training and testing distributions. In this paper, we show that the Softmax function, though used in most classification tasks, gives a biased gradient estimation under the long-tailed setup. This paper presents Balanced Softmax, an elegant unbiased extension of Softmax, to accommodate the label distribution shift between training and testing. Theoretically, we derive the generalization bound for multiclass Softmax regression and show our loss minimizes the bound. In addition, we introduce Balanced Meta-Softmax, applying a complementary Meta Sampler to estimate the optimal class sample rate and further improve long-tailed learning. In our experiments, we demonstrate that Balanced Meta-Softmax outperforms state-of-the-art long-tailed classification solutions on both visual recognition and instance segmentation tasks.


Adaptive Benign Overfitting (ABO): Overparameterized RLS for Online Learning in Non-stationary Time-series

arXiv.org Machine Learning

Overparameterized models have recently challenged conventional learning theory by exhibiting improved generalization beyond the interpolation limit, a phenomenon known as benign overfitting. This work introduces Adaptive Benign Overfitting (ABO), extending the recursive least-squares (RLS) framework to this regime through a numerically stable formulation based on orthogonal-triangular updates. A QR-based exponentially weighted RLS (QR-EWRLS) algorithm is introduced, combining random Fourier feature mappings with forgetting-factor regularization to enable online adaptation under non-stationary conditions. The orthogonal decomposition prevents the numerical divergence associated with covariance-form RLS while retaining adaptability to evolving data distributions. Experiments on nonlinear synthetic time series confirm that the proposed approach maintains bounded residuals and stable condition numbers while reproducing the double-descent behavior characteristic of overparameterized models. Applications to forecasting foreign exchange and electricity demand show that ABO is highly accurate (comparable to baseline kernel methods) while achieving speed improvements of between 20 and 40 percent. The results provide a unified view linking adaptive filtering, kernel approximation, and benign overfitting within a stable online learning framework.


Generative and Nonparametric Approaches for Conditional Distribution Estimation: Methods, Perspectives, and Comparative Evaluations

arXiv.org Machine Learning

The inference of conditional distributions is a fundamental problem in statistics, essential for prediction, uncertainty quantification, and probabilistic modeling. A wide range of methodologies have been developed for this task. This article reviews and compares several representative approaches spanning classical nonparametric methods and modern generative models. We begin with the single-index method of Hall and Yao (2005), which estimates the conditional distribution through a dimension-reducing index and nonparametric smoothing of the resulting one-dimensional cumulative conditional distribution function. We then examine the basis-expansion approaches, including FlexCode (Izbicki and Lee, 2017) and DeepCDE (Dalmasso et al., 2020), which convert conditional density estimation into a set of nonparametric regression problems. In addition, we discuss two recent generative simulation-based methods that leverage modern deep generative architectures: the generative conditional distribution sampler (Zhou et al., 2023) and the conditional denoising diffusion probabilistic model (Fu et al., 2024; Yang et al., 2025). A systematic numerical comparison of these approaches is provided using a unified evaluation framework that ensures fairness and reproducibility. The performance metrics used for the estimated conditional distribution include the mean-squared errors of conditional mean and standard deviation, as well as the Wasserstein distance. We also discuss their flexibility and computational costs, highlighting the distinct advantages and limitations of each approach.


Matrix Factorization for Practical Continual Mean Estimation Under User-Level Differential Privacy

arXiv.org Machine Learning

We study continual mean estimation, where data vectors arrive sequentially and the goal is to maintain accurate estimates of the running mean. We address this problem under user-level differential privacy, which protects each user's entire dataset even when they contribute multiple data points. Previous work on this problem has focused on pure differential privacy. While important, this approach limits applicability, as it leads to overly noisy estimates. In contrast, we analyze the problem under approximate differential privacy, adopting recent advances in the Matrix Factorization mechanism. We introduce a novel mean estimation specific factorization, which is both efficient and accurate, achieving asymptotically lower mean-squared error bounds in continual mean estimation under user-level differential privacy.


Graph Attention Network for Node Regression on Random Geometric Graphs with Erdős--Rényi contamination

arXiv.org Machine Learning

Graph attention networks (GATs) are widely used and often appear robust to noise in node covariates and edges, yet rigorous statistical guarantees demonstrating a provable advantage of GATs over non-attention graph neural networks~(GNNs) are scarce. We partially address this gap for node regression with graph-based errors-in-variables models under simultaneous covariate and edge corruption: responses are generated from latent node-level covariates, but only noise-perturbed versions of the latent covariates are observed; and the sample graph is a random geometric graph created from the node covariates but contaminated by independent Erdős--Rényi edges. We propose and analyze a carefully designed, task-specific GAT that constructs denoised proxy features for regression. We prove that regressing the response variables on the proxies achieves lower error asymptotically in (a) estimating the regression coefficient compared to the ordinary least squares (OLS) estimator on the noisy node covariates, and (b) predicting the response for an unlabelled node compared to a vanilla graph convolutional network~(GCN) -- under mild growth conditions. Our analysis leverages high-dimensional geometric tail bounds and concentration for neighbourhood counts and sample covariances. We verify our theoretical findings through experiments on synthetically generated data. We also perform experiments on real-world graphs and demonstrate the effectiveness of the attention mechanism in several node regression tasks.