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Learning Operators by Regularized Stochastic Gradient Descent with Operator-valued Kernels
paper
arXiv stat.ML3 days ago

arXiv:2504.18184v2 Announce Type: replace Abstract: We consider a class of statistical inverse problems involving the estimation of a regression operator from a Polish space to a separable Hilbert space, where the target lies in a vector-valued reproducing kernel Hilbert space induced by an operator-valued kernel. To address the associated ill-posedness, we analyze regularized stochastic gradient descent (SGD) algorithms in both online and finite-horizon settings. The former uses polynomially decaying step sizes and regularization parameters, while the latter adopts fixed values. Under suitable structural and distributional assumptions, we establish dimension-independent bounds for prediction and estimation errors. The resulting convergence rates are near-optimal in expectation, and we also derive high-probability estimates that imply almost sure convergence. Our analysis introduces a general technique for obtaining high-probability guarantees in infinite-dimensional settings. Possible extensions to broader kernel classes and encoder-decoder structures are briefly discussed.

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Score · 2.80
On the emergence of numerical instabilities in Next Generation Reservoir Computing
paper
arXiv stat.ML3 days ago

arXiv:2505.00846v2 Announce Type: replace Abstract: Next Generation Reservoir Computing (NGRC) is a low-cost machine learning method for forecasting chaotic time series from data. Computational efficiency is crucial for scalable reservoir computing, requiring better strategies to reduce training cost. In this work, we uncover a connection between the numerical conditioning of the NGRC feature matrix -- formed by polynomial evaluations on time-delay coordinates -- and the long-term NGRC dynamics. We show that NGRC can be trained without regularization, reducing computational time. Our contributions are twofold. First, merging tools from numerical linear algebra and ergodic theory of dynamical systems, we systematically study how the feature matrix conditioning varies across hyperparameters. We demonstrate that the NGRC feature matrix tends to be ill-conditioned for short time lags, high-degree polynomials, and short length of training data. Second, we evaluate the impact of different numerical algorithms (Cholesky, singular value decomposition (SVD), and lower-upper (LU) decomposition) for solving the regularized least-squares problem. Our results reveal that SVD-based training achieves accurate forecasts without regularization, being preferable when compared against the other algorithms.

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Score · 2.80
Variational Inference with Mixtures of Isotropic Gaussians
paper
arXiv stat.ML3 days ago

arXiv:2506.13613v2 Announce Type: replace Abstract: Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is typically the (reverse) Kullback-Leibler (KL) divergence. In this paper, we focus on the following parametric family: mixtures of isotropic Gaussians (i.e., with diagonal covariance matrices proportional to the identity) and uniform weights. We develop a variational framework and provide efficient algorithms suited for this family. In contrast with mixtures of Gaussian with generic covariance matrices, this choice presents a balance between accurate approximations of multimodal Bayesian posteriors, while being memory and computationally efficient. Our algorithms implement gradient descent on the location of the mixture components (the modes of the Gaussians), and either (an entropic) Mirror or Bures descent on their variance parameters. We illustrate the performance of our algorithms on numerical experiments.

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Score · 2.80
Tricks and Plug-ins for Gradient Boosting in Image Classification
paper
arXiv stat.ML3 days ago

arXiv:2507.22842v4 Announce Type: replace Abstract: Convolutional Neural Networks (CNNs) have achieved remarkable success across a wide range of machine learning tasks by leveraging hierarchical feature learning through deep architectures. However, the large number of layers and millions of parameters often make CNNs computationally expensive to train, requiring extensive time and manual tuning to discover optimal architectures. In this paper, we introduce a novel framework for boosting CNN performance that integrates dynamic feature selection with the principles of BoostCNN. Our approach incorporates two key strategies: subgrid selection and importance sampling, to guide training toward informative regions of the feature space. We further develop a family of algorithms that embed boosting weights directly into the network training process using a least squares loss formulation. This integration not only alleviates the burden of manual architecture design but also enhances accuracy and efficiency. Experimental results across several fine-grained classification benchmarks demonstrate that our boosted CNN variants consistently outperform conventional CNNs in both predictive performance and training speed.

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Score · 2.80
Loss Patterns of Neural Networks
paper
arXiv stat.ML3 days ago

arXiv:1910.03867v3 Announce Type: replace-cross Abstract: We present multi-point optimization: an optimization technique that allows to train several models simultaneously without the need to keep the parameters of each one individually. The proposed method is used for a thorough empirical analysis of the loss landscape of neural networks. By extensive experiments on FashionMNIST and CIFAR10 datasets we demonstrate two things: 1) loss surface is surprisingly diverse and intricate in terms of landscape patterns it contains, and 2) adding batch normalization makes it more smooth. Source code to reproduce all the reported results is available on GitHub: https://github.com/universome/loss-patterns.

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Score · 2.80
Foundations of Structural Causal Models with Latent Selection
paper
arXiv stat.ML3 days ago

arXiv:2401.06925v3 Announce Type: replace-cross Abstract: Three distinct phenomena complicate statistical causal analysis: latent common causes, causal cycles, and latent selection. Foundational works on Structural Causal Models (SCMs), e.g., Bongers et al. (2021, Ann. Stat., 49(5): 2885-2915), treat cycles and latent variables, while an analogous account of latent selection is missing. The goal of this article is to develop a theoretical foundation for modeling latent selection with SCMs. To achieve that, we introduce a conditioning operation for SCMs: it maps an SCM with explicit selection mechanisms to one without them while preserving the causal semantics of the selected subpopulation. Graphically, in Directed Mixed Graphs we extend bidirected edge--beyond latent common cause--to also encode latent selection. We prove that the conditioning operation preserves simplicity, acyclicity, and linearity of SCMs, and interacts well with marginalization, conditioning, and interventions. These properties make those three operations valuable tools for causal modeling, reasoning, and learning after abstracting away latent details (latent common causes and selection). Examples show how this abstraction streamlines analysis and clarifies when standard tools (e.g., adjustment, causal calculus, instrumental variables) remain valid under selection bias. We hope that these results deepen the SCM-based understanding of selection bias and become part of the standard causal modeling toolbox to build more reliable causal analysis.

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Score · 2.80
Causality Pursuit from Heterogeneous Environments via Neural Adversarial Invariance Learning
paper
arXiv stat.ML3 days ago

arXiv:2405.04715v5 Announce Type: replace-cross Abstract: Pursuing causality from data is a fundamental problem in scientific discovery, treatment intervention, and transfer learning. This paper introduces a novel algorithmic method for addressing nonparametric invariance and causality learning in regression models across multiple environments, where the joint distribution of response variables and covariates varies, but the conditional expectations of outcome given an unknown set of quasi-causal variables are invariant. The challenge of finding such an unknown set of quasi-causal or invariant variables is compounded by the presence of endogenous variables that have heterogeneous effects across different environments. The proposed Focused Adversarial Invariant Regularization (FAIR) framework utilizes an innovative minimax optimization approach that drives regression models toward prediction-invariant solutions through adversarial testing. Leveraging the representation power of neural networks, FAIR neural networks (FAIR-NN) are introduced for causality pursuit. It is shown that FAIR-NN can find the invariant variables and quasi-causal variables under a minimal identification condition and that the resulting procedure is adaptive to low-dimensional composition structures in a non-asymptotic analysis. Under a structural causal model, variables identified by FAIR-NN represent pragmatic causality and provably align with exact causal mechanisms under conditions of sufficient heterogeneity. Computationally, FAIR-NN employs a novel Gumbel approximation with decreased temperature and a stochastic gradient descent ascent algorithm. The procedures are demonstrated using simulated and real-data examples.

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Score · 2.80
Uncertainty Quantification for Deep Learning
paper
arXiv stat.ML3 days ago

arXiv:2405.20550v2 Announce Type: replace-cross Abstract: We present a critical survey on the consistency of uncertainty quantification used in deep learning and highlight partial uncertainty coverage and many inconsistencies. We then provide a comprehensive and statistically consistent framework for uncertainty quantification in deep learning that accounts for all major sources of uncertainty: input data, training and testing data, neural network weights, and machine-learning model imperfections, targeting regression problems. We systematically quantify each source by applying Bayes' theorem and conditional probability densities and introduce a fast, practical implementation method. We demonstrate its effectiveness on a simple regression problem and a real-world application: predicting cloud autoconversion rates using a neural network trained on aircraft measurements from the Azores and guided by a two-moment bin model of the stochastic collection equation. In this application, uncertainty from the training and testing data dominates, followed by input data, neural network model, and weight variability. Finally, we highlight the practical advantages of this methodology, showing that explicitly modeling training data uncertainty improves robustness to new inputs that fall outside the training data, and enhances model reliability in real-world scenarios.

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Score · 2.80
Emulation with uncertainty quantification of regional sea-level change caused by the Antarctic Ice Sheet
paper
arXiv stat.ML3 days ago

arXiv:2406.17729v2 Announce Type: replace-cross Abstract: Projecting sea-level change in various climate-change scenarios typically involves running forward simulations of the Earth's gravitational, rotational and deformational (GRD) response to ice mass change, which requires high computational cost and time. Here we build neural-network emulators of sea-level change at 27 coastal locations, due to the GRD effects associated with future Antarctic Ice Sheet mass change over the 21st century. The emulators are based on datasets produced using a numerical solver for the static sea-level equation and published ISMIP6-2100 ice-sheet model simulations referenced in the IPCC AR6 report. We show that the neural-network emulators have an accuracy that is competitive with baseline machine learning emulators. In order to quantify uncertainty, we derive well-calibrated prediction intervals for simulated sea-level change via a linear regression postprocessing technique that uses (nonlinear) machine learning model outputs, a technique that has previously been applied to numerical climate models. We also demonstrate substantial gains in computational efficiency: a feedforward neural-network emulator exhibits on the order of 100 times speedup in comparison to the numerical sea-level equation solver that is used for training.

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Score · 2.80
Communication-Efficient Federated Low-Rank Update Algorithm and its Connection to Implicit Regularization
paper
arXiv stat.ML3 days ago

arXiv:2409.12371v2 Announce Type: replace-cross Abstract: Federated Learning (FL) faces significant challenges related to communication efficiency and performance reduction when scaling to many clients. To address these issues, we explore the potential of using low-rank updates and provide the first theoretical study of rank properties in FL. Our theoretical analysis shows that a client's loss exhibits a higher-rank structure (i.e., gradients span higher-rank subspaces of the Hessian) compared to the server's loss, and that low-rank approximations of the clients' gradients have greater similarity. Based on this insight, we hypothesize that constraining client-side optimization to a low-rank subspace could provide an implicit regularization effect while reducing communication costs. Consequently, we propose FedLoRU, a general low-rank update framework for FL. Our framework enforces low-rank client-side updates and accumulates these updates to form a higher-rank model. We are able to establish convergence of the algorithm; the convergence rate matches FedAvg. Additionally, variants of FedLoRU can adapt to environments with statistical and model heterogeneity by employing multiple or hierarchical low-rank updates. Experimental results demonstrate that FedLoRU performs comparably to full-rank algorithms and exhibits robustness to heterogeneous and large numbers of clients.

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Score · 2.80
DeepMIDE: A Multi-Output Spatio-Temporal Method for Ultra-Scale Offshore Wind Energy Forecasting
paper
arXiv stat.ML3 days ago

arXiv:2410.20166v2 Announce Type: replace-cross Abstract: To unlock access to stronger winds, the offshore wind industry is advancing towards significantly larger and taller wind turbines. This massive upscaling motivates a departure from wind forecasting methods that traditionally focused on a single representative height. To fill this gap, we propose DeepMIDE--a statistical deep learning method which jointly models the offshore wind speeds across space, time, and height. DeepMIDE is formulated as a multi-output integro-difference equation model with a multivariate nonstationary kernel characterized by a set of advection vectors that encode the physics of wind field formation and propagation. Embedded within DeepMIDE, an advanced deep learning architecture learns these advection vectors from high-dimensional streams of exogenous weather information, which, along with other parameters, are plugged back into the statistical model for probabilistic multi-height space-time forecasting. Tested on real-world data from offshore wind energy areas in the Northeastern United States, the wind speed and power forecasts from DeepMIDE are shown to outperform those from prevalent time series, spatio-temporal, and deep learning methods.

Score · 2.80
EXAGREE: Mitigating Explanation Disagreement with Stakeholder-Aligned Models
paper
arXiv stat.ML3 days ago

arXiv:2411.01956v2 Announce Type: replace-cross Abstract: Conflicting explanations, arising from different attribution methods or model internals, limit the adoption of machine learning models in safety-critical domains. We turn this disagreement into an advantage and introduce EXplanation AGREEment (EXAGREE), a two-stage framework that selects a Stakeholder-Aligned Explanation Model (SAEM) from a set of similar-performing models. The selection maximizes Stakeholder-Machine Agreement (SMA), a single metric that unifies faithfulness and plausibility. EXAGREE couples a differentiable mask-based attribution network (DMAN) with monotone differentiable sorting, enabling gradient-based search inside the constrained model space. Experiments on six real-world datasets demonstrate simultaneous gains of faithfulness, plausibility, and fairness over baselines, while preserving task accuracy. Extensive ablation studies, significance tests, and case studies confirm the robustness and feasibility of the method in practice.

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Score · 2.80
Prediction-Powered Inference with Imputed Covariates and Nonuniform Sampling
paper
arXiv stat.ML3 days ago

arXiv:2501.18577v3 Announce Type: replace-cross Abstract: Machine learning models are increasingly used to produce predictions that serve as input data in subsequent statistical analyses. For example, computer vision predictions of economic and environmental indicators based on satellite imagery are used in downstream regressions; similarly, language models are widely used to approximate human ratings and opinions in social science research. However, failure to properly account for errors in the machine learning predictions renders standard statistical procedures invalid. Prior work uses what we call the Predict-Then-Debias estimator to give valid confidence intervals when machine learning algorithms impute missing variables, assuming a small complete sample from the population of interest. We expand the scope by introducing bootstrap confidence intervals that apply when the complete data is a nonuniform (i.e., weighted, stratified, or clustered) sample and to settings where an arbitrary subset of features is imputed. Importantly, the method can be applied to many settings without requiring additional calculations. We prove that these confidence intervals are valid under no assumptions on the quality of the machine learning model and are no wider than the intervals obtained by methods that do not use machine learning predictions.

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Score · 2.80
An Improved Privacy and Utility Analysis of Differentially Private SGD with Bounded Domain and Smooth Losses
paper
arXiv stat.ML3 days ago

arXiv:2502.17772v3 Announce Type: replace-cross Abstract: Differentially Private Stochastic Gradient Descent (DPSGD) is widely used to protect sensitive data during the training of machine learning models, but its privacy guarantee often comes at a large cost of model performance due to the lack of tight theoretical bounds quantifying privacy loss. While recent efforts have achieved more accurate privacy guarantees, they still impose some assumptions prohibited from practical applications, such as convexity and complex parameter requirements, and rarely investigate in-depth the impact of privacy mechanisms on the model's utility. In this paper, we provide a rigorous privacy characterization for DPSGD with general L-smooth and non-convex loss functions, revealing converged privacy loss with iteration in bounded-domain cases. Specifically, we track the privacy loss over multiple iterations, leveraging the noisy smooth-reduction property, and further establish comprehensive convergence analysis in different scenarios. In particular, we show that for DPSGD with a bounded domain, (i) the privacy loss can still converge without the convexity assumption, (ii) a smaller bounded diameter can improve both privacy and utility simultaneously under certain conditions, and (iii) the attainable big-O order of the privacy utility trade-off for DPSGD with gradient clipping (DPSGD-GC) and for DPSGD-GC with bounded domain (DPSGD-DC) and mu-strongly convex population risk function, respectively. Experiments via membership inference attack (MIA) in a practical setting validate insights gained from the theoretical results.

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Score · 2.80
On the contraction properties of Sinkhorn semigroups
paper
arXiv stat.ML3 days ago

arXiv:2503.09887v2 Announce Type: replace-cross Abstract: We develop a novel semigroup stability analysis based on Lyapunov techniques and contraction coefficients to prove exponential convergence of Sinkhorn equations on weighted Banach spaces. This operator-theoretic framework yields exponential decays of Sinkhorn iterates towards Schr\"odinger bridges with respect to general classes of $\phi$-divergences and Kantorovich-type criteria, including the relative entropy, squared Hellinger integrals, $\alpha$-divergences as well as weighted total variation norms and Wasserstein distances. To the best of our knowledge, these contraction inequalities are the first results of this type in the literature on entropic transport and the Sinkhorn algorithm. We also provide Lyapunov contractions principles under minimal regularity conditions that allow to provide quantitative exponential stability estimates for a large class of Sinkhorn semigroups. We apply this novel framework in a variety of situations, ranging from polynomial growth potentials and heavy tailed marginals on general normed spaces to more sophisticated boundary state space models, including semi-circle transitions, Beta, Weibull, exponential marginals as well as semi-compact models. Last but not least, our approach also allows to consider statistical finite mixture of the above models, including kernel-type density estimators of complex data distributions arising in generative modeling.

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Score · 2.80
Streaming Generated Gaussian Process Experts for Online Learning and Control: Extended Version
paper
arXiv stat.ML3 days ago

arXiv:2508.03679v3 Announce Type: replace-cross Abstract: Gaussian Processes (GPs), as a nonparametric learning method, offer flexible modeling capabilities and calibrated uncertainty quantification for function approximations. Additionally, GPs support online learning by efficiently incorporating new data with polynomial-time computation, making them well-suited for safety-critical dynamical systems that require rapid adaptation. However, the inference and online updates of exact GPs, when processing streaming data, incur cubic computation time and quadratic storage memory complexity, limiting their scalability to large datasets in real-time settings. In this paper, we propose a streaming kernel-induced progressively generated expert framework of Gaussian processes (SkyGP) that addresses both computational and memory constraints by maintaining a bounded set of experts, while inheriting the learning performance guarantees from exact Gaussian processes. Furthermore, two SkyGP variants are introduced, each tailored to a specific objective, either maximizing prediction accuracy (SkyGP-Dense) or improving computational efficiency (SkyGP-Fast). The effectiveness of SkyGP is validated through extensive benchmarks and real-time control experiments demonstrating its superior performance compared to state-of-the-art approaches.

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Score · 2.80
Optimal Subspace Embeddings: Resolving Nelson-Nguyen Conjecture Up to Sub-Polylogarithmic Factors
paper
arXiv stat.ML3 days ago

arXiv:2508.14234v2 Announce Type: replace-cross Abstract: We give a proof of the conjecture of Nelson and Nguyen [FOCS 2013] on the optimal dimension and sparsity of oblivious subspace embeddings, up to sub-polylogarithmic factors: For any $n\geq d$ and $\epsilon\geq d^{-O(1)}$, there is a random $\tilde O(d/\epsilon^2)\times n$ matrix $\Pi$ with $\tilde O(\log(d)/\epsilon)$ non-zeros per column such that for any $A\in\mathbb{R}^{n\times d}$, with high probability, $(1-\epsilon)\|Ax\|\leq\|\Pi Ax\|\leq(1+\epsilon)\|Ax\|$ for all $x\in\mathbb{R}^d$, where $\tilde O(\cdot)$ hides only sub-polylogarithmic factors in $d$. Our result in particular implies a new fastest sub-current matrix multiplication time reduction of size $\tilde O(d/\epsilon^2)$ for a broad class of $n\times d$ linear regression tasks. A key novelty in our analysis is a matrix concentration technique we call iterative decoupling, which we use to fine-tune the higher-order trace moment bounds attainable via existing random matrix universality tools [Brailovskaya and van Handel, GAFA 2024].

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Score · 2.80
Frequency Response Identification of Low-Order Systems: Finite-Sample Analysis
paper
arXiv stat.ML3 days ago

arXiv:2508.17142v2 Announce Type: replace-cross Abstract: This paper proposes a frequency-domain system identification method for learning low-order systems. The identification problem is formulated as the minimization of the l2 norm between the identified and measured frequency responses, with the nuclear norm of the Loewner matrix serving as a regularization term. This formulation results in an optimization problem that can be efficiently solved using standard convex optimization techniques. We derive an upper bound on the sampled-frequency complexity of the identification process and subsequently extend this bound to characterize the identification error over all frequencies. A detailed analysis of the sample complexity is provided, along with a thorough interpretation of its terms and dependencies. Finally, the efficacy of the proposed method is demonstrated through an example, and numerical simulations validating the growth rate of the sample complexity bound.

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Score · 2.80
Conformalized Polynomial Chaos Expansion for Uncertainty-aware Surrogate Modeling
paper
arXiv stat.ML3 days ago

arXiv:2510.22375v2 Announce Type: replace-cross Abstract: This work introduces a method to equip data-driven polynomial chaos expansion surrogate models with intervals that quantify the predictive uncertainty of the surrogate. To that end, jackknife-based conformal prediction is integrated into regression-based polynomial chaos expansions. The jackknife algorithm uses leave-one-out residuals to generate predictive intervals around the predictions of the polynomial chaos surrogate. The jackknife+ extension additionally requires leave-one-out model predictions. Both methods allow to use the entire dataset for model training and do not require a hold-out dataset for prediction interval calibration. The key to efficient implementation is to leverage the linearity of the polynomial chaos regression model, so that leave-one-out residuals and, if necessary, leave-one-out model predictions can be computed with analytical, closed-form expressions. This eliminates the need for repeated model re-training. The conformalized polynomial chaos expansion method is first validated on four benchmark models and then applied to two electrical engineering design use-cases. The method produces predictive intervals that provide the target coverages, even for low-accuracy models trained with small datasets. At the same time, training data availability plays a crucial role in improving the empirical coverage and narrowing the predictive interval, as well as in reducing their variability over different training datasets.

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Score · 2.80
Efficient Solvers for SLOPE in R, Python, Julia, and C++
paper
arXiv stat.ML3 days ago

arXiv:2511.02430v2 Announce Type: replace-cross Abstract: We present a suite of packages in R, Python, Julia, and C++ that efficiently solve the Sorted L-One Penalized Estimation (SLOPE) problem. The packages feature a highly efficient hybrid coordinate descent algorithm that fits generalized linear models (GLMs) and supports a variety of loss functions, including Gaussian, binomial, Poisson, and multinomial logistic regression. Our implementation is designed to be fast, memory-efficient, and flexible. The packages support a variety of data structures (dense, sparse, and out-of-memory matrices) and are designed to efficiently fit the full SLOPE path as well as handle cross-validation of SLOPE models, including the relaxed SLOPE. We present examples of how to use the packages and benchmarks that demonstrate the performance of the packages on both real and simulated data and show that our packages outperform existing implementations of SLOPE in terms of speed.

Score · 2.80
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