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 Statistical Learning


Fourier Feature Methods for Nonlinear Causal Discovery: FFML Scoring, TRFF Scoring, and FFCI Testing in Mixed Data

arXiv.org Machine Learning

Gaussian process (GP) marginal likelihood scores and kernel conditional independence tests are theoretically appealing for nonlinear causal discovery but computationally prohibitive at scale. We present three complementary RFF-based methods forming a practical toolkit for score-based, constraint-based, and hybrid causal discovery. The Fourier Feature Marginal Likelihood (FFML) score approximates the exact GP marginal likelihood by replacing the $n x n$ kernel Gram matrix with a finite-dimensional feature representation, reducing cost to $O(nm^2 + m^3)$ while retaining the probabilistic interpretation and automatic complexity penalty of the exact score. FFML extends to mixed (continuous and discrete) parent sets via a product-kernel construction, with a Kronecker path for small discrete parent sets and a Hadamard-product path otherwise. The Tetrad Random Fourier Feature (TRFF) score is a complementary BIC-style alternative using penalized Student-t regression with random Fourier features. TRFF offers robustness to heavy-tailed noise and faster runtime than FFML. Empirically, TRFF and FFML exhibit a complementary precision-recall profile: TRFF achieves higher precision while FFML achieves better recall and lower SHD overall. The Fourier Feature Conditional Independence (FFCI) test is a fast nonparametric CI test for mixed data, using ridge residualization in feature space and a Frobenius-norm cross-covariance statistic approximated as a weighted sum of chi-squared variables. Empirically, BOSS+FFML achieves the lowest SHD on nonlinear data, while BOSS+TRFF offers the highest precision. When run through PC-Max, FFCI and RCIT exhibit complementary precision-recall profiles: RCIT is more precise while FFCI achieves better recall and substantially lower SHD, at approximately twice the runtime.


A Refined Generalization Analysis for Extreme Multi-class Supervised Contrastive Representation Learning

arXiv.org Machine Learning

Contrastive Representation Learning (CRL) has achieved strong empirical success in multiple machine learning disciplines, yet its theoretical sample complexity remains poorly understood. Existing analyses usually assume that input tuples are identically and independently distributed, an assumption violated in most practical settings where contrastive tuples are constructed from a finite pool of labeled data, inducing dependencies among tuples. While one recent work analyzed this learning setting using U-Statistics to estimate the population risk, the techniques used therein require the risk of each class to concentrate uniformly, making excess risk bounds scale in the order of $ฯ_{\min}^{-{1}/{2}}$ where $ฯ_{\min}$ denotes the probability of the rarest class. Such a dependency can be overly pessimistic in the extreme multiclass settings where there are many tail classes which contribute minimally to the overall population risk. Our contributions are two-fold. Firstly, we improve upon the previous work and prove a bound with a sample complexity of the same order as the number of classes $R$, regardless of the distribution over classes. Furthermore, we formulate a different estimator that captures the concentration of the risk \textit{across classes}, enabling sharper bounds in extreme multi-class learning scenarios, especially where class distributions are long-tailed. Under mild assumptions on the class distributions, the resulting sample complexity is $\mathcal{O}(k)$ where $k$ is the number of samples per tuple.


Path-Based Gradient Boosting for Graph-Level Prediction

arXiv.org Machine Learning

We propose PathBoost, a gradient tree boosting method for graph-level classification and regression that learns discriminative path-based features directly from the input graph structure. Building on a previous work, which was tailored to a specific chemistry application, PathBoost introduces three key extensions: (i) adaptation to binary classification through gradient boosting with a logistic loss, (ii) incorporation of multiple node and edge attributes into the path feature space via a prefix-based decomposition, and (iii) automatic anchor node selection based on categorical attribute diversity, eliminating the need for the user to specify the starting point of the considered path features. We compared PathBoost to graph neural networks and graph kernel approaches on several benchmark datasets, obtaining better results in half of them, and comparable results in the rest. PathBoost shows better performances on graphs with larger average node counts. Overall, the results demonstrate that path-based boosting methods can be competitive with more complex black-box approaches.


On Observation Time for Recovering Latent Hawkes Networks

arXiv.org Machine Learning

Dynamics of interacting systems in engineering, society, and nature often evolve over latent networks that govern which entities can interact. We study the problem of inferring these networks from event-based observations, which arise naturally in finance, seismology, and neuroscience. While there is substantial algorithmic work addressing this important problem, theoretical results are scarce. In this paper we ask the following fundamental question: what is the minimum time that one must observe the dynamics in order to exactly recover the underlying network, as a function of the number $d$ of interacting entities? For a class of stationary Hawkes processes with sparse, weak interactions, we prove that an observation time of order $\log d$ is sufficient and necessary. For the upper bound we construct a two-stage estimator that uses clipped and binned event data for screening, followed by a least-squares refinement, and apply concentration bounds derived from the Poisson cluster representation. For the lower bound we combine Fano's inequality with Jacod's Girsanov formula for point processes on a suitable subclass of networks.


Queryable LoRA: Instruction-Regularized Routing Over Shared Low-Rank Update Atoms

arXiv.org Machine Learning

We present a data-adaptive method for parameter-efficient fine-tuning of large neural networks. Standard low-rank adaptation methods improve efficiency by restricting each layer update to a fixed low-rank form, but this static parameterization can be too rigid when the appropriate correction depends on the input and on the evolving depth-wise computation of the network. Our approach replaces a purely layer-local adapter with a shared queryable memory of low-rank update atoms. For each block of layers, the model forms a query from the current low-rank state and a running summary of previous blocks, uses this query to retrieve a content-dependent combination of shared update components via attention, and applies the resulting routed operator within the low-rank bottleneck. In this way, the method retains the efficiency and scalability of low-rank adaptation while allowing the effective update to vary across inputs and to share reusable structure across layers. The resulting architecture provides a principled middle ground between static LoRA-style updates and fully generated parameter updates: it remains compact and parameter-efficient while supporting dynamic, context-sensitive adaptation. Further, we incorporate instruction-regularization by augmenting routing logits with a language-induced prior over update atoms, thereby biasing the selection of low-rank transformations toward semantically relevant directions without generating unconstrained parameter updates. Experiments on noisy non-linear regression tasks and LLM fine-tuning suggest that this queryable update-memory formulation can improve final test performance and training stability compared to standard low-rank adaptation, while using a comparable number of trainable parameters.


Active Multiple-Prediction-Powered Inference

arXiv.org Machine Learning

Post-deployment monitoring of healthcare AI requires statistically valid, label-efficient methods, but gold-standard labels from clinician chart review are expensive. Prediction-powered inference (PPI) and active statistical inference (ASI) reduce label cost by combining a small labeled sample with abundant model predictions, but both are restricted to a single predictor, a poor fit for modern clinical pipelines that have multiple predictors of differing cost and accuracy available at inference time. We propose Active Multiple-Prediction-Powered Inference (AM-PPI), which routes each instance to a cost-appropriate predictor subset, samples gold-standard labels in proportion to the chosen subset's residual uncertainty, and reweights predictions to minimize estimator variance, all under a single deployment-time budget. AM-PPI generalizes ASI to leverage multiple predictors and extends Multiple-PPI from global per-predictor allocation to per-instance adaptive routing. We derive closed-form Karush-Kuhn-Tucker (KKT) conditions for all three decisions and prove, via biconvexity and strong duality, that the resulting fixed point is a global optimum despite the joint problem being non-jointly-convex. We establish asymptotic normality with valid coverage, minimum-variance unbiasedness within the linear-prediction augmented inverse propensity weighted (AIPW) class, and a closed-form criterion identifying when multiple predictors help. On synthetic data and three healthcare monitoring tasks, AM-PPI produces 10 to 40 percent narrower confidence intervals (CIs) than single-predictor ASI in the budget regime where routing matters, and matches the better baseline elsewhere.


Sinkhorn Treatment Effects: A Causal Optimal Transport Measure

arXiv.org Machine Learning

We introduce the Sinkhorn treatment effect, an entropic optimal transport measure of divergence between counterfactual distributions. Unlike classical quantities such as the average treatment effect, this measure captures differences across entire distributions. We analyze this divergence as a statistical functional and show it can be written as a smooth transformation of counterfactual mean embeddings with an appropriate kernel. This characterization allows us to establish first-order pathwise differentiability in general, and second-order pathwise differentiability under the null hypothesis of equal counterfactual distributions. Leveraging this smoothness, we construct debiased estimators and use them to obtain asymptotically valid tests for distributional treatment effects with a fixed entropic regularization parameter. Because the power of the test depends on this unknown parameter, we further propose an aggregated test that combines evidence across a grid of regularization choices. Experiments on simulated and image data demonstrate the practical advantages of our estimator and testing procedure.


Learnability and Competition in High-Dimensional Multi-Component ICA

arXiv.org Machine Learning

Independent Component Analysis (ICA) is a foundational tool for unsupervised representation learning, yet its high-dimensional theory remains largely limited to single-component recovery. We develop an asymptotically exact mean-field theory for multi-component online ICA, capturing the coupling induced by simultaneous learning and orthogonalization. In the high-dimensional limit, the joint empirical distribution of learned estimates and ground-truth components converges to a deterministic process, yielding a closed ODE system for the overlap matrix between learned directions and true components. This characterization reveals a genuinely multi-component, initialization-driven phase structure: a decoupled regime, where estimates align with distinct components and evolve nearly independently, and a competition regime, where overlapping initializations induce orthogonality-driven conflicts, slow reorientation, and delayed convergence. Our steady-state analysis gives explicit learnability boundaries and competition conditions linking step size, data moments, and initialization. These conditions show that larger higher-order moments and competition shrink the stable learning-rate window, increase convergence times, and predict a staircase phenomenon in which the number of recoverable components changes discretely with the learning rate. Experiments on synthetic data and hyperspectral remote sensing data validate the predicted trajectories and phase behavior.


CONTRA: Conformal Prediction Region via Normalizing Flow Transformation

arXiv.org Machine Learning

Density estimation and reliable prediction regions for outputs are crucial in supervised and unsupervised learning. While conformal prediction effectively generates coverage-guaranteed regions, it struggles with multi-dimensional outputs due to reliance on one-dimensional nonconformity scores. To address this, we introduce CONTRA: CONformal prediction region via normalizing flow TRAnsformation. CONTRA utilizes the latent spaces of normalizing flows to define nonconformity scores based on distances from the center. This allows for the mapping of high-density regions in latent space to sharp prediction regions in the output space, surpassing traditional hyperrectangular or elliptical conformal regions. Further, for scenarios where other predictive models are favored over flow-based models, we extend CONTRA to enhance any such model with a reliable prediction region by training a simple normalizing flow on the residuals. We demonstrate that both CONTRA and its extension maintain guaranteed coverage probability and outperform existing methods in generating accurate prediction regions across various datasets. We conclude that CONTRA is an effective tool for (conditional) density estimation, addressing the under-explored challenge of delivering multi-dimensional prediction regions.


Simultaneous Monitoring of Shape and Surface Color via 4D Point Clouds: A Registration-free Approach

arXiv.org Machine Learning

Advanced manufacturing technologies allow for the production of intricate parts featuring high shape complexity and spatially-varying material composition. Data fusion of point clouds with chromatic attributes provides 4D point clouds, a compact and informative representation that encodes both shape and material information. In this paper, we present a registration-free framework for Simultaneous Monitoring of shApe and Color (SMAC) via 4D point clouds. The proposed framework leverages Laplace-Beltrami operator spectral properties to capture and monitor geometric features and the relationship between shape and surface color. A combined monitoring scheme is proposed to effectively detect shape deformations and color anomalies, along with a spatially-aware post-signal diagnostic procedure to determine the source of change and localize color anomalies. Importantly, neither component relies on registration or mesh reconstruction, eliminating error-prone and computationally expensive preprocessing steps. A Monte Carlo simulation study and a case study on functionally graded materials demonstrate that SMAC achieves effective detection performance, particularly for subtle defects, while providing diagnostic capabilities to identify the source and location of anomalies.