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Stepwise Variational Inference with Vine Copulas

arXiv.org Machine Learning

We propose stepwise variational inference (VI) with vine copulas: a universal VI procedure that combines vine copulas with a novel stepwise estimation procedure of the variational parameters. Vine copulas consist of a nested sequence of trees built from copulas, where more complex latent dependence can be modeled with increasing number of trees. We propose to estimate the vine copula approximate posterior in a stepwise fashion, tree by tree along the vine structure. Further, we show that the usual backward Kullback-Leibler divergence cannot recover the correct parameters in the vine copula model, thus the evidence lower bound is defined based on the Rényi divergence. Finally, an intuitive stopping criterion for adding further trees to the vine eliminates the need to pre-define a complexity parameter of the variational distribution, as required for most other approaches. Thus, our method interpolates between mean-field VI (MFVI) and full latent dependence. In many applications, in particular sparse Gaussian processes, our method is parsimonious with parameters, while outperforming MFVI.


Contextual Graph Matching with Correlated Gaussian Features

arXiv.org Machine Learning

We investigate contextual graph matching in the Gaussian setting, where both edge weights and node features are correlated across two networks. We derive precise information-theoretic thresholds for exact recovery, and identify conditions under which almost exact recovery is possible or impossible, in terms of graph and feature correlation strengths, the number of nodes, and feature dimension. Interestingly, whereas an all-or-nothing phase transition is observed in the standard graph-matching scenario, the additional contextual information introduces a richer structure: thresholds for exact and almost exact recovery no longer coincide. Our results provide the first rigorous characterization of how structural and contextual information interact in graph matching, and establish a benchmark for designing efficient algorithms.


Shape-Adaptive Conditional Calibration for Conformal Prediction via Minimax Optimization

arXiv.org Machine Learning

Achieving valid conditional coverage in conformal prediction is challenging due to the theoretical difficulty of satisfying pointwise constraints in finite samples. Building upon the characterization of conditional coverage through marginal moment restrictions, we introduce Minimax Optimization Predictive Inference (MOPI), a framework that generalizes prior work by optimizing over a flexible class of set-valued mappings during the calibration phase, rather than simply calibrating a fixed sublevel set. This minimax formulation effectively circumvents the structural constraints of predefined score functions, achieving superior shape adaptivity while maintaining a principled connection to the minimization of mean squared coverage error. Theoretically, we provide non-asymptotic oracle inequalities and show that the convergence rate of the coverage error attains the optimal order under regular conditions. The MOPI also enables valid inference conditional on sensitive attributes that are available during calibration but unobserved at test time. Empirical results on complex, non-standard conditional distributions demonstrate that MOPI produces more efficient prediction sets than existing baselines.


A Theory of Nonparametric Covariance Function Estimation for Discretely Observed Data

arXiv.org Machine Learning

We study nonparametric covariance function estimation for functional data observed with noise at discrete locations on a $d$-dimensional domain. Estimating the covariance function from discretely observed data is a challenging nonparametric problem, particularly in multidimensional settings, since the covariance function is defined on a product domain and thus suffers from the curse of dimensionality. This motivates the use of adaptive estimators, such as deep learning estimators. However, existing theoretical results are largely limited to estimators with explicit analytic representations, and the properties of general learning-based estimators remain poorly understood. We establish an oracle inequality for a broad class of learning-based estimators that applies to both sparse and dense observation regimes in a unified manner, and derive convergence rates for deep learning estimators over several classes of covariance functions. The resulting rates suggest that structural adaptation can mitigate the curse of dimensionality, similarly to classical nonparametric regression. We further compare the convergence rates of learning-based estimators with several existing procedures. For a one-dimensional smoothness class, deep learning estimators are suboptimal, whereas local linear smoothing estimators achieve a faster rate. For a structured function class, however, deep learning estimators attain the minimax rate up to polylogarithmic factors, whereas local linear smoothing estimators are suboptimal. These results reveal a distinctive adaptivity-variance trade-off in covariance function estimation.


Double Machine Learning for Static Panel Data with Instrumental Variables: New Method and Applications

arXiv.org Machine Learning

Panel data methods are widely used in empirical analysis to address unobserved heterogeneity, but causal inference remains challenging when treatments are endogenous and confounding variables high-dimensional and potentially nonlinear. Standard instrumental variables (IV) estimators, such as two-stage least squares (2SLS), become unreliable when instrument validity requires flexibly conditioning on many covariates with potentially non-linear effects. This paper develops a Double Machine Learning estimator for static panel models with endogenous treatments (panel IV DML), and introduces weak-identification diagnostics for it. We revisit three influential migration studies that use shift-share instruments. In these settings, instrument validity depends on a rich covariate adjustment. In one application, panel IV DML strengthens the predictive power of the instrument and broadly confirms 2SLS results. In the other cases, flexible adjustment makes the instruments weak, leading to substantially more cautious causal inference than conventional 2SLS. Monte Carlo evidence supports these findings, showing that panel IV DML improves estimation accuracy under strong instruments and delivers more reliable inference under weak identification.


Multi-Domain Empirical Bayes for Linearly-Mixed Causal Representations

arXiv.org Machine Learning

Causal representation learning (CRL) aims to learn low-dimensional causal latent variables from high-dimensional observations. While identifiability has been extensively studied for CRL, estimation has been less explored. In this paper, we explore the use of empirical Bayes (EB) to estimate causal representations. In particular, we consider the problem of learning from data from multiple domains, where differences between domains are modeled by interventions in a shared underlying causal model. Multi-domain CRL naturally poses a simultaneous inference problem that EB is designed to tackle. Here, we propose an EB $f$-modeling algorithm that improves the quality of learned causal variables by exploiting invariant structure within and across domains. Specifically, we consider a linear measurement model and interventional priors arising from a shared acyclic SCM. When the graph and intervention targets are known, we develop an EM-style algorithm based on causally structured score matching. We further discuss EB $g$-modeling in the context of existing CRL approaches. In experiments on synthetic data, our proposed method achieves more accurate estimation than other methods for CRL.


Comprehensive Description of Uncertainty in Measurement for Representation and Propagation with Scalable Precision

arXiv.org Machine Learning

Probability theory has become the predominant framework for quantifying uncertainty across scientific and engineering disciplines, with a particular focus on measurement and control systems. However, the widespread reliance on simple Gaussian assumptions--particularly in control theory, manufacturing, and measurement systems--can result in incomplete representations and multistage lossy approximations of complex phenomena, including inaccurate propagation of uncertainty through multi stage processes. This work proposes a comprehensive yet computationally tractable framework for representing and propagating quantitative attributes arising in measurement systems using Probability Density Functions (PDFs). Recognizing the constraints imposed by finite memory in software systems, we advocate for the use of Gaussian Mixture Models (GMMs), a principled extension of the familiar Gaussian framework, as they are universal approximators of PDFs whose complexity can be tuned to trade off approximation accuracy against memory and computation. From both mathematical and computational perspectives, GMMs enable high performance and, in many cases, closed form solutions of essential operations in control and measurement. The paper presents practical applications within manufacturing and measurement contexts especially circular factory, demonstrating how the GMMs framework supports accurate representation and propagation of measurement uncertainty and offers improved accuracy--compared to the traditional Gaussian framework--while keeping the computations tractable.


Forward and inverse problems for measure flows in Bayes Hilbert spaces

arXiv.org Machine Learning

We study forward and inverse problems for time-dependent probability measures in Bayes--Hilbert spaces. On the forward side, we show that each sufficiently regular Bayes--Hilbert path admits a canonical dynamical realization: a weighted Neumann problem transforms the log-density variation into the unique gradient velocity field of minimum kinetic energy. This construction induces a transport form on Bayes--Hilbert tangent directions, which measures the dynamical cost of realizing prescribed motions, and yields a flow-matching interpretation in which the canonical velocity field is the minimum-energy execution of the prescribed path. On the inverse side, we formulate reconstruction directly on Bayes--Hilbert path space from time-dependent indirect observations. The resulting variational problem combines a data-misfit term with the transport action induced by the forward geometry. In our infinite-dimensional setting, however, this transport geometry alone does not provide sufficient compactness, so we add explicit temporal and spatial regularization to close the theory. The linearized observation operator induces a complementary observability form, which quantifies how strongly tangent directions are seen through the data. Under explicit Sobolev regularity and observability assumptions, we prove existence of minimizers, derive first-variation formulas, establish local stability of the observation map, and deduce recovery of the evolving law, its score, and its canonical velocity field under the strong topologies furnished by the compactness theory.


Interpretable Operator Learning for Inverse Problems via Adaptive Spectral Filtering: Convergence and Discretization Invariance

arXiv.org Machine Learning

Solving ill-posed inverse problems necessitates effective regularization strategies to stabilize the inversion process against measurement noise. While classical methods like Tikhonov regularization require heuristic parameter tuning, and standard deep learning approaches often lack interpretability and generalization across resolutions, we propose SC-Net (Spectral Correction Network), a novel operator learning framework. SC-Net operates in the spectral domain of the forward operator, learning a pointwise adaptive filter function that reweights spectral coefficients based on the signal-to-noise ratio. We provide a theoretical analysis showing that SC-Net approximates the continuous inverse operator, guaranteeing discretization invariance. Numerical experiments on 1D integral equations demonstrate that SC-Net: (1) achieves the theoretical minimax optimal convergence rate ($O(δ^{0.5})$ for $s=p=1.5$), matching theoretical lower bounds; (2) learns interpretable sharp-cutoff filters that outperform Oracle Tikhonov regularization; and (3) exhibits zero-shot super-resolution, maintaining stable reconstruction errors ($\approx 0.23$) when trained on coarse grids ($N=256$) and tested on significantly finer grids (up to $N=2048$). The proposed method bridges the gap between rigorous regularization theory and data-driven operator learning.


Decomposing Probabilistic Scores: Reliability, Information Loss and Uncertainty

arXiv.org Machine Learning

Calibration is a conditional property that depends on the information retained by a predictor. We develop decomposition identities for arbitrary proper losses that make this dependence explicit. At any information level $\mathcal A$, the expected loss of an $\mathcal A$-measurable predictor splits into a proper-regret (reliability) term and a conditional entropy (residual uncertainty) term. For nested levels $\mathcal A\subseteq\mathcal B$, a chain decomposition quantifies the information gain from $\mathcal A$ to $\mathcal B$. Applied to classification with features $\boldsymbol{X}$ and score $S=s(\boldsymbol{X})$, this yields a three-term identity: miscalibration, a {\em grouping} term measuring information loss from $\boldsymbol{X}$ to $S$, and irreducible uncertainty at the feature level. We leverage the framework to analyze post-hoc recalibration, aggregation of calibrated models, and stagewise/boosting constructions, with explicit forms for Brier and log-loss.