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 Statistical Learning


Probabilistic Wind Power Forecasting via Non-Stationary Gaussian Processes

arXiv.org Machine Learning

Accurate probabilistic forecasting of wind power is essential for maintaining grid stability and enabling efficient integration of renewable energy sources. Gaussian Process (GP) models offer a principled framework for quantifying uncertainty; however, conventional approaches rely on stationary kernels, which are inadequate for modeling the inherently non-stationary nature of wind speed and power output. We propose a non-stationary GP framework that incorporates the generalized spectral mixture (GSM) kernel, enabling the model to capture time-varying patterns and heteroscedastic behaviors in wind speed and wind power data. We evaluate the performance of the proposed model on real-world SCADA data across short\mbox{-,} medium-, and long-term forecasting horizons. Compared to standard radial basis function and spectral mixture kernels, the GSM-based model outperforms, particularly in short-term forecasts. These results highlight the necessity of modeling non-stationarity in wind power forecasting and demonstrate the practical value of non-stationary GP models in operational settings.


Optimal Transport-Based Domain Adaptation for Rotated Linear Regression

arXiv.org Machine Learning

Optimal Transport (OT) has proven effective for domain adaptation (DA) by aligning distributions across domains with differing statistical properties. Building on the approach of Courty et al. (2016), who mapped source data to the target domain for improved model transfer, we focus on a supervised DA problem involving linear regression models under rotational shifts. This ongoing work considers cases where source and target domains are related by a rotation-common in applications like sensor calibration or image orientation. We show that in $\mathbb{R}^2$ , when using a p-norm cost with $p $\ge$ 2$, the optimal transport map recovers the underlying rotation. Based on this, we propose an algorithm that combines K-means clustering, OT, and singular value decomposition (SVD) to estimate the rotation angle and adapt the regression model. This method is particularly effective when the target domain is sparsely sampled, leveraging abundant source data for improved generalization. Our contributions offer both theoretical and practical insights into OT-based model adaptation under geometric transformations.


Adaptively-weighted Nearest Neighbors for Matrix Completion

arXiv.org Machine Learning

In this technical note, we introduce and analyze AWNN: an adaptively weighted nearest neighbor method for performing matrix completion. Nearest neighbor (NN) methods are widely used in missing data problems across multiple disciplines such as in recommender systems and for performing counterfactual inference in panel data settings. Prior works have shown that in addition to being very intuitive and easy to implement, NN methods enjoy nice theoretical guarantees. However, the performance of majority of the NN methods rely on the appropriate choice of the radii and the weights assigned to each member in the nearest neighbor set and despite several works on nearest neighbor methods in the past two decades, there does not exist a systematic approach of choosing the radii and the weights without relying on methods like cross-validation. AWNN addresses this challenge by judiciously balancing the bias variance trade off inherent in weighted nearest-neighbor regression. We provide theoretical guarantees for the proposed method under minimal assumptions and support the theory via synthetic experiments.


Block-Biased Mamba for Long-Range Sequence Processing

arXiv.org Machine Learning

Mamba extends earlier state space models (SSMs) by introducing input-dependent dynamics, and has demonstrated strong empirical performance across a range of domains, including language modeling, computer vision, and foundation models. However, a surprising weakness remains: despite being built on architectures designed for long-range dependencies, Mamba performs poorly on long-range sequential tasks. Understanding and addressing this gap is important for improving Mamba's universality and versatility. In this work, we analyze Mamba's limitations through three perspectives: expressiveness, inductive bias, and training stability. Our theoretical results show how Mamba falls short in each of these aspects compared to earlier SSMs such as S4D. To address these issues, we propose $\text{B}_2\text{S}_6$, a simple extension of Mamba's S6 unit that combines block-wise selective dynamics with a channel-specific bias. We prove that these changes equip the model with a better-suited inductive bias and improve its expressiveness and stability. Empirically, $\text{B}_2\text{S}_6$ outperforms S4 and S4D on Long-Range Arena (LRA) tasks while maintaining Mamba's performance on language modeling benchmarks.


Lower Bounds on the MMSE of Adversarially Inferring Sensitive Features

arXiv.org Machine Learning

We propose an adversarial evaluation framework for sensitive feature inference based on minimum mean-squared error (MMSE) estimation with a finite sample size and linear predictive models. Our approach establishes theoretical lower bounds on the true MMSE of inferring sensitive features from noisy observations of other correlated features. These bounds are expressed in terms of the empirical MMSE under a restricted hypothesis class and a non-negative error term. The error term captures both the estimation error due to finite number of samples and the approximation error from using a restricted hypothesis class. For linear predictive models, we derive closed-form bounds, which are order optimal in terms of the noise variance, on the approximation error for several classes of relationships between the sensitive and non-sensitive features, including linear mappings, binary symmetric channels, and class-conditional multi-variate Gaussian distributions. We also present a new lower bound that relies on the MSE computed on a hold-out validation dataset of the MMSE estimator learned on finite-samples and a restricted hypothesis class. Through empirical evaluation, we demonstrate that our framework serves as an effective tool for MMSE-based adversarial evaluation of sensitive feature inference that balances theoretical guarantees with practical efficiency.


Scalable Computations for Generalized Mixed Effects Models with Crossed Random Effects Using Krylov Subspace Methods

arXiv.org Machine Learning

Mixed effects models are widely used for modeling data with hierarchically grouped structures and high-cardinality categorical predictor variables. However, for high-dimensional crossed random effects, current standard computations relying on Cholesky decompositions can become prohibitively slow. In this work, we present novel Krylov subspace-based methods that address several existing computational bottlenecks. Among other things, we theoretically analyze and empirically evaluate various preconditioners for the conjugate gradient and stochastic Lanczos quadrature methods, derive new convergence results, and develop computationally efficient methods for calculating predictive variances. Extensive experiments using simulated and real-world data sets show that our proposed methods scale much better than Cholesky-based computations, for instance, achieving a runtime reduction of approximately two orders of magnitudes for both estimation and prediction. Moreover, our software implementation is up to 10'000 times faster and more stable than state-of-the-art implementations such as lme4 and glmmTMB when using default settings. Our methods are implemented in the free C++ software library GPBoost with high-level Python and R packages.


Scaling Gaussian Process Regression with Full Derivative Observations

arXiv.org Machine Learning

We present a scalable Gaussian Process (GP) method that can fit and predict full derivative observations called DSoftKI. It extends SoftKI, a method that approximates a kernel via softmax interpolation from learned interpolation point locations, to the setting with derivatives. DSoftKI enhances SoftKI's interpolation scheme to incorporate the directional orientation of interpolation points relative to the data. This enables the construction of a scalable approximate kernel, including its first and second-order derivatives, through interpolation. We evaluate DSoftKI on a synthetic function benchmark and high-dimensional molecular force field prediction (100-1000 dimensions), demonstrating that DSoftKI is accurate and can scale to larger datasets with full derivative observations than previously possible.


Enhanced Photonic Chip Design via Interpretable Machine Learning Techniques

arXiv.org Artificial Intelligence

Photonic chip design has seen significant advancements with the adoption of inverse design methodologies, offering flexibility and efficiency in optimizing device performance. However, the black-box nature of the optimization approaches, such as those used in inverse design in order to minimize a loss function or maximize coupling efficiency, poses challenges in understanding the outputs. This challenge is prevalent in machine learning-based optimization methods, which can suffer from the same lack of transparency. To this end, interpretability techniques address the opacity of optimization models. In this work, we apply interpretability techniques from machine learning, with the aim of gaining understanding of inverse design optimization used in designing photonic components, specifically two-mode multiplexers. We base our methodology on the widespread interpretability technique known as local interpretable model-agnostic explanations, or LIME. As a result, LIME-informed insights point us to more effective initial conditions, directly improving device performance. This demonstrates that interpretability methods can do more than explain models -- they can actively guide and enhance the inverse-designed photonic components. Our results demonstrate the ability of interpretable techniques to reveal underlying patterns in the inverse design process, leading to the development of better-performing components.


Rhomboid Tiling for Geometric Graph Deep Learning

arXiv.org Artificial Intelligence

Graph Neural Networks (GNNs) have proven effective for learning from graph-structured data through their neighborhood-based message passing framework. Many hierarchical graph clustering pooling methods modify this framework by introducing clustering-based strategies, enabling the construction of more expressive and powerful models. However, all of these message passing framework heavily rely on the connectivity structure of graphs, limiting their ability to capture the rich geometric features inherent in geometric graphs. To address this, we propose Rhomboid Tiling (RT) clustering, a novel clustering method based on the rhomboid tiling structure, which performs clustering by leveraging the complex geometric information of the data and effectively extracts its higher-order geometric structures. Moreover, we design RTPool, a hierarchical graph clustering pooling model based on RT clustering for graph classification tasks. The proposed model demonstrates superior performance, outperforming 21 state-of-the-art competitors on all the 7 benchmark datasets.


Model-free Online Learning for the Kalman Filter: Forgetting Factor and Logarithmic Regret

arXiv.org Artificial Intelligence

We consider the problem of online prediction for an unknown, non-explosive linear stochastic system. With a known system model, the optimal predictor is the celebrated Kalman filter. In the case of unknown systems, existing approaches based on recursive least squares and its variants may suffer from degraded performance due to the highly imbalanced nature of the regression model. This imbalance can easily lead to overfitting and thus degrade prediction accuracy. We tackle this problem by injecting an inductive bias into the regression model via {exponential forgetting}. While exponential forgetting is a common wisdom in online learning, it is typically used for re-weighting data. In contrast, our approach focuses on balancing the regression model. This achieves a better trade-off between {regression} and {regularization errors}, and simultaneously reduces the {accumulation error}. With new proof techniques, we also provide a sharper logarithmic regret bound of $O(\log^3 N)$, where $N$ is the number of observations.