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 Statistical Learning


Why Can't I See My Clusters? A Precision-Recall Approach to Dimensionality Reduction Validation

arXiv.org Artificial Intelligence

Dimensionality Reduction (DR) is widely used for visualizing high-dimensional data, often with the goal of revealing expected cluster structure. However, such a structure may not always appear in the projections. Existing DR quality metrics assess projection reliability (to some extent) or cluster structure quality, but do not explain why expected structures are missing. Visual Analytics solutions can help, but are often time-consuming due to the large hyperparameter space. This paper addresses this problem by leveraging a recent framework that divides the DR process into two phases: a relationship phase, where similarity relationships are modeled, and a mapping phase, where the data is projected accordingly. We introduce two supervised metrics, precision and recall, to evaluate the relationship phase. These metrics quantify how well the modeled relationships align with an expected cluster structure based on some set of labels representing this structure. We illustrate their application using t-SNE and UMAP, and validate the approach through various usage scenarios. Our approach can guide hyperparameter tuning, uncover projection artifacts, and determine if the expected structure is captured in the relationships, making the DR process faster and more reliable.


VisioFirm: Cross-Platform AI-assisted Annotation Tool for Computer Vision

arXiv.org Artificial Intelligence

AI models rely on annotated data to learn pattern and perform prediction. Annotation is usually a labor-intensive step that require associating labels ranging from a simple classification label to more complex tasks such as object detection, oriented bounding box estimation, and instance segmentation. Traditional tools often require extensive manual input, limiting scalability for large datasets. To address this, we introduce VisioFirm, an open-source web application designed to streamline image labeling through AI-assisted automation. VisioFirm integrates state-of-the-art foundation models into an interface with a filtering pipeline to reduce human-in-the-loop efforts. This hybrid approach employs CLIP combined with pre-trained detectors like Ultralytics models for common classes and zero-shot models such as Grounding DINO for custom labels, generating initial annotations with low-confidence thresholding to maximize recall. Through this framework, when tested on COCO-type of classes, initial prediction have been proven to be mostly correct though the users can refine these via interactive tools supporting bounding boxes, oriented bounding boxes, and polygons. Additionally, VisioFirm has on-the-fly segmentation powered by Segment Anything accelerated through WebGPU for browser-side efficiency. The tool supports multiple export formats (YOLO, COCO, Pascal VOC, CSV) and operates offline after model caching, enhancing accessibility. VisioFirm demonstrates up to 90\% reduction in manual effort through benchmarks on diverse datasets, while maintaining high annotation accuracy via clustering of connected CLIP-based disambiguate components and IoU-graph for redundant detection suppression. VisioFirm can be accessed from \href{https://github.com/OschAI/VisioFirm}{https://github.com/OschAI/VisioFirm}.


Online time series prediction using feature adjustment

arXiv.org Artificial Intelligence

Time series forecasting is of significant importance across various domains. However, it faces significant challenges due to distribution shift. This issue becomes particularly pronounced in online deployment scenarios where data arrives sequentially, requiring models to adapt continually to evolving patterns. Current time series online learning methods focus on two main aspects: selecting suitable parameters to update (e.g., final layer weights or adapter modules) and devising suitable update strategies (e.g., using recent batches, replay buffers, or averaged gradients). We challenge the conventional parameter selection approach, proposing that distribution shifts stem from changes in underlying latent factors influencing the data. Consequently, updating the feature representations of these latent factors may be more effective. To address the critical problem of delayed feedback in multi-step forecasting (where true values arrive much later than predictions), we introduce ADAPT-Z (Automatic Delta Adjustment via Persistent Tracking in Z-space). ADAPT-Z utilizes an adapter module that leverages current feature representations combined with historical gradient information to enable robust parameter updates despite the delay. Extensive experiments demonstrate that our method consistently outperforms standard base models without adaptation and surpasses state-of-the-art online learning approaches across multiple datasets. The code is available at https://github.com/xiannanhuang/ADAPT-Z.


Gaussian process surrogate with physical law-corrected prior for multi-coupled PDEs defined on irregular geometry

arXiv.org Machine Learning

Parametric partial differential equations (PDEs) are fundamental mathematical tools for modeling complex physical systems, yet their numerical evaluation across parameter spaces remains computationally intensive when using conventional high-fidelity solvers. To address this challenge, we propose a novel physical law-corrected prior Gaussian process (LC-prior GP) surrogate modeling framework that effectively integrates data-driven learning with underlying physical constraints to flexibly handle multi-coupled variables defined on complex geometries. The proposed approach leverages proper orthogonal decomposition (POD) to parameterize high-dimensional PDE solutions via their dominant modes and associated coefficients, thereby enabling efficient Gaussian process (GP) surrogate modeling within a reduced-dimensional coefficient space. A key contribution lies in the incorporation of physical laws together with a limited number of parameter samples to correct the GP posterior mean, thus avoiding reliance on computationally expensive numerical solvers. Furthermore, interpolation functions are constructed to describe the mapping from the full parameter space to the physics-based correction term. This mapping is subsequently backpropagated to constrain the original GP surrogate, yielding a more physically consistent conditional prior. To handle irregular geometries, the radial basis function-finite difference (RBF-FD) method is incorporated during training set computation, with its inherent differentiation matrices providing both computational efficiency and numerical accuracy for physical constraint optimization. The effectiveness of the proposed method is demonstrated through numerical experiments involving a reaction-diffusion model, miscible flooding models, and Navier-Stokes equations with multi-physics coupling defined on irregular domains.


Bayesian Additive Regression Trees for functional ANOVA model

arXiv.org Machine Learning

Bayesian Additive Regression Trees (BART) is a powerful statistical model that leverages the strengths of Bayesian inference and regression trees. It has received significant attention for capturing complex non-linear relationships and interactions among predictors. However, the accuracy of BART often comes at the cost of interpretability. To address this limitation, we propose ANOVA Bayesian Additive Regression Trees (ANOVA-BART), a novel extension of BART based on the functional ANOVA decomposition, which is used to decompose the variability of a function into different interactions, each representing the contribution of a different set of covariates or factors. Our proposed ANOVA-BART enhances interpretability, preserves and extends the theoretical guarantees of BART, and achieves superior predictive performance. Specifically, we establish that the posterior concentration rate of ANOVA-BART is nearly minimax optimal, and further provides the same convergence rates for each interaction that are not available for BART. Moreover, comprehensive experiments confirm that ANOVA-BART surpasses BART in both accuracy and uncertainty quantification, while also demonstrating its effectiveness in component selection. These results suggest that ANOVA-BART offers a compelling alternative to BART by balancing predictive accuracy, interpretability, and theoretical consistency.


The distribution of calibrated likelihood functions on the probability-likelihood Aitchison simplex

arXiv.org Machine Learning

While calibration of probabilistic predictions has been widely studied, this paper rather addresses calibration of likelihood functions. This has been discussed, especially in biometrics, in cases with only two exhaustive and mutually exclusive hypotheses (classes) where likelihood functions can be written as log-likelihood-ratios (LLRs). After defining calibration for LLRs and its connection with the concept of weight-of-evidence, we present the idempotence property and its associated constraint on the distribution of the LLRs. Although these results have been known for decades, they have been limited to the binary case. Here, we extend them to cases with more than two hypotheses by using the Aitchison geometry of the simplex, which allows us to recover, in a vector form, the additive form of the Bayes' rule; extending therefore the LLR and the weight-of-evidence to any number of hypotheses. Especially, we extend the definition of calibration, the idempotence, and the constraint on the distribution of likelihood functions to this multiple hypotheses and multiclass counterpart of the LLR: the isometric-log-ratio transformed likelihood function. This work is mainly conceptual, but we still provide one application to machine learning by presenting a non-linear discriminant analysis where the discriminant components form a calibrated likelihood function over the classes, improving therefore the interpretability and the reliability of the method.


Inference on covariance structure in high-dimensional multi-view data

arXiv.org Machine Learning

This article focuses on covariance estimation for multi-view data. Popular approaches rely on factor-analytic decompositions that have shared and view-specific latent factors. Posterior computation is conducted via expensive and brittle Markov chain Monte Carlo (MCMC) sampling or variational approximations that underestimate uncertainty and lack theoretical guarantees. Our proposed methodology employs spectral decompositions to estimate and align latent factors that are active in at least one view. Conditionally on these factors, we choose jointly conjugate prior distributions for factor loadings and residual variances. The resulting posterior is a simple product of normal-inverse gamma distributions for each variable, bypassing MCMC and facilitating posterior computation. We prove favorable increasing-dimension asymptotic properties, including posterior contraction and central limit theorems for point estimators. We show excellent performance in simulations, including accurate uncertainty quantification, and apply the methodology to integrate four high-dimensional views from a multi-omics dataset of cancer cell samples.


Calibration Prediction Interval for Non-parametric Regression and Neural Networks

arXiv.org Machine Learning

Accurate conditional prediction in the regression setting plays an important role in many real-world problems. Typically, a point prediction often falls short since no attempt is made to quantify the prediction accuracy. Classically, under the normality and linearity assumptions, the Prediction Interval (PI) for the response variable can be determined routinely based on the $t$ distribution. Unfortunately, these two assumptions are rarely met in practice. To fully avoid these two conditions, we develop a so-called calibration PI (cPI) which leverages estimations by Deep Neural Networks (DNN) or kernel methods. Moreover, the cPI can be easily adjusted to capture the estimation variability within the prediction procedure, which is a crucial error source often ignored in practice. Under regular assumptions, we verify that our cPI has an asymptotically valid coverage rate. We also demonstrate that cPI based on the kernel method ensures a coverage rate with a high probability when the sample size is large. Besides, with several conditions, the cPI based on DNN works even with finite samples. A comprehensive simulation study supports the usefulness of cPI, and the convincing performance of cPI with a short sample is confirmed with two empirical datasets.


Feedback-Enhanced Online Multiple Testing with Applications to Conformal Selection

arXiv.org Machine Learning

We study online multiple testing with feedback, where decisions are made sequentially and the true state of the hypothesis is revealed after the decision has been made, either instantly or with a delay. We propose GAIF, a feedback-enhanced generalized alpha-investing framework that dynamically adjusts thresholds using revealed outcomes, ensuring finite-sample false discovery rate (FDR)/marginal FDR control. Extending GAIF to online conformal testing, we construct independent conformal $p$-values and introduce a feedback-driven model selection criterion to identify the best model/score, thereby improving statistical power. We demonstrate the effectiveness of our methods through numerical simulations and real-data applications.


Fast kernel methods: Sobolev, physics-informed, and additive models

arXiv.org Machine Learning

Kernel methods are powerful tools in statistical learning, but their cubic complexity in the sample size n limits their use on large-scale datasets. In this work, we introduce a scalable framework for kernel regression with O(n log n) complexity, fully leveraging GPU acceleration. The approach is based on a Fourier representation of kernels combined with non-uniform fast Fourier transforms (NUFFT), enabling exact, fast, and memory-efficient computations. We instantiate our framework in three settings: Sobolev kernel regression, physics-informed regression, and additive models. When known, the proposed estimators are shown to achieve minimax convergence rates, consistent with classical kernel theory. Empirical results demonstrate that our methods can process up to tens of billions of samples within minutes, providing both statistical accuracy and computational scalability. These contributions establish a flexible approach, paving the way for the routine application of kernel methods in large-scale learning tasks.