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Time Series Gaussian Chain Graph Models

arXiv.org Machine Learning

Time series graphical models have recently received considerable attention for characterizing (conditional) dependence structures in multivariate time series. In many applications, the multivariate series exhibit variable-partitioned blockwise dependence, with distinct patterns within and across blocks. In this paper, we introduce a new class of time series Gaussian chain graph models that represent contemporaneous and lagged causal relations via directed edges across blocks, while capturing within-block conditional dependencies through undirected edges. In the frequency domain, this formulation induces a cross-frequency shared group sparse plus group low-rank decomposition of the inverse spectral density matrices, which we exploit to establish identifiability of the time series chain graph structure. Building on this, we then propose a three-stage learning procedure for estimating the undirected and directed edge sets, which involves optimizing a regularized Whittle likelihood with a group lasso penalty to encourage group sparsity and a novel tensor-unfolding nuclear norm penalty to enforce group low-rank structure. We investigate the asymptotic properties of the proposed method, ensuring its consistency for exact recovery of the chain graph structure. The superior empirical performance of the proposed method is demonstrated through both extensive simulation studies and an application to U.S. macroeconomic data that highlights key monetary policy transmission mechanisms.


High-dimensional Many-to-many-to-many Mediation Analysis

arXiv.org Machine Learning

We study high-dimensional mediation analysis in which exposures, mediators, and outcomes are all multivariate, and both exposures and mediators may be high-dimensional. We formalize this as a many (exposures)-to-many (mediators)-to-many (outcomes) (MMM) mediation analysis problem. Methodologically, MMM mediation analysis simultaneously performs variable selection for high-dimensional exposures and mediators, estimates the indirect effect matrix (i.e., the coefficient matrices linking exposure-to-mediator and mediator-to-outcome pathways), and enables prediction of multivariate outcomes. Theoretically, we show that the estimated indirect effect matrices are consistent and element-wise asymptotically normal, and we derive error bounds for the estimators. To evaluate the efficacy of the MMM mediation framework, we first investigate its finite-sample performance, including convergence properties, the behavior of the asymptotic approximations, and robustness to noise, via simulation studies. We then apply MMM mediation analysis to data from the Alzheimer's Disease Neuroimaging Initiative to study how cortical thickness of 202 brain regions may mediate the effects of 688 genome-wide significant single nucleotide polymorphisms (SNPs) (selected from approximately 1.5 million SNPs) on eleven cognitive-behavioral and diagnostic outcomes. The MMM mediation framework identifies biologically interpretable, many-to-many-to-many genetic-neural-cognitive pathways and improves downstream out-of-sample classification and prediction performance. Taken together, our results demonstrate the potential of MMM mediation analysis and highlight the value of statistical methodology for investigating complex, high-dimensional multi-layer pathways in science. The MMM package is available at https://github.com/THELabTop/MMM-Mediation.



A Theory of Diversity for Random Matrices with Applications to In-Context Learning of Schrödinger Equations

arXiv.org Machine Learning

We address the following question: given a collection $\{\mathbf{A}^{(1)}, \dots, \mathbf{A}^{(N)}\}$ of independent $d \times d$ random matrices drawn from a common distribution $\mathbb{P}$, what is the probability that the centralizer of $\{\mathbf{A}^{(1)}, \dots, \mathbf{A}^{(N)}\}$ is trivial? We provide lower bounds on this probability in terms of the sample size $N$ and the dimension $d$ for several families of random matrices which arise from the discretization of linear Schrödinger operators with random potentials. When combined with recent work on machine learning theory, our results provide guarantees on the generalization ability of transformer-based neural networks for in-context learning of Schrödinger equations.


Robust low-rank estimation with multiple binary responses using pairwise AUC loss

arXiv.org Machine Learning

Multiple binary responses arise in many modern data-analytic problems. Although fitting separate logistic regressions for each response is computationally attractive, it ignores shared structure and can be statistically inefficient, especially in high-dimensional and class-imbalanced regimes. Low-rank models offer a natural way to encode latent dependence across tasks, but existing methods for binary data are largely likelihood-based and focus on pointwise classification rather than ranking performance. In this work, we propose a unified framework for learning with multiple binary responses that directly targets discrimination by minimizing a surrogate loss for the area under the ROC curve (AUC). The method aggregates pairwise AUC surrogate losses across responses while imposing a low-rank constraint on the coefficient matrix to exploit shared structure. We develop a scalable projected gradient descent algorithm based on truncated singular value decomposition. Exploiting the fact that the pairwise loss depends only on differences of linear predictors, we simplify computation and analysis. We establish non-asymptotic convergence guarantees, showing that under suitable regularity conditions, leading to linear convergence up to the minimax-optimal statistical precision. Extensive simulation studies demonstrate that the proposed method is robust in challenging settings such as label switching and data contamination and consistently outperforms likelihood-based approaches.


Error Adjustment Based on Spatiotemporal Correlation Fusion for Traffic Forecasting

arXiv.org Artificial Intelligence

Deep neural networks (DNNs) play a significant role in an increasing body of research on traffic forecasting due to their effectively capturing spatiotemporal patterns embedded in traffic data. A general assumption of training the said forecasting models via mean squared error estimation is that the errors across time steps and spatial positions are uncorrelated. However, this assumption does not really hold because of the autocorrelation caused by both the temporality and spatiality of traffic data. This gap limits the performance of DNN-based forecasting models and is overlooked by current studies. To fill up this gap, this paper proposes Spatiotemporally Autocorrelated Error Adjustment (SAEA), a novel and general framework designed to systematically adjust autocorrelated prediction errors in traffic forecasting. Unlike existing approaches that assume prediction errors follow a random Gaussian noise distribution, SAEA models these errors as a spatiotemporal vector autoregressive (VAR) process to capture their intrinsic dependencies. First, it explicitly captures both spatial and temporal error correlations by a coefficient matrix, which is then embedded into a newly formulated cost function. Second, a structurally sparse regularization is introduced to incorporate prior spatial information, ensuring that the learned coefficient matrix aligns with the inherent road network structure. Finally, an inference process with test-time error adjustment is designed to dynamically refine predictions, mitigating the impact of autocorrelated errors in real-time forecasting. The effectiveness of the proposed approach is verified on different traffic datasets. Results across a wide range of traffic forecasting models show that our method enhances performance in almost all cases.




TriADA: Massively Parallel Trilinear Matrix-by-Tensor Multiply-Add Algorithm and Device Architecture for the Acceleration of 3D Discrete Transformations

arXiv.org Artificial Intelligence

Multilinear transformations are key in high-performance computing (HPC) and artificial intelligence (AI) workloads, where data is represented as tensors. However, their high computational and memory demands, which grow with dimensionality, often slow down critical tasks. Moreover, scaling computation by enlarging the number of parallel processing units substantially increases energy consumption, limiting widespread adoption, especially for sparse data, which is common in HPC and AI applications. This paper introduces the Trilinear Algorithm and isomorphic to algorithm Device Architecture (TriADA) to address these challenges with the following innovations: (1) a massively parallel, low-rank algorithm for computing a family of trilinear (3D) discrete orthogonal transformations (3D-DXTs), which is a special case of the more general 3-mode matrix-by-tensor multiplication (3D-GEMT); (2) a new outer-product-based GEMM kernel with decoupled streaming active memory, specially designed to accelerate 3D-GEMT operation; (3) an isomorphic to the proposed algorithm, fully distributed 3D network of mesh interconnected processing elements or cells with a coordinate-free, data-driven local processing activity, which is independent of problem size; (4) an elastic sparse outer-product (ESOP) method that avoids unnecessary computing and communication operations with zero-valued operands, thereby enhancing energy efficiency, computational accuracy, and stability. TriADA is capable of performing a variety of trilinear transformations with hypercubic arithmetic complexity in a linear number of time-steps. The massively parallel, scalable, and energy-efficient architecture of TriADA is ideal for accelerating multilinear tensor operations, which are the most demanding parts of AI and HPC workloads.


Causal discovery in deterministic discrete LTI-DAE systems

arXiv.org Artificial Intelligence

Discovering pure causes or driver variables in deterministic LTI systems is of vital importance in the data-driven reconstruction of causal networks. A recent work by Kathari and Tangirala, proposed in 2022, formulated the causal discovery method as a constraint identification problem. The constraints are identified using a dynamic iterative PCA (DIPCA)-based approach for dynamical systems corrupted with Gaussian measurement errors. The DIPCA-based method works efficiently for dynamical systems devoid of any algebraic relations. However, several dynamical systems operate under feedback control and/or are coupled with conservation laws, leading to differential-algebraic (DAE) or mixed causal systems. In this work, a method, namely the partition of variables (PoV), for causal discovery in LTI-DAE systems is proposed. This method is superior to the method that was presented by Kathari and Tangirala (2022), as PoV also works for pure dynamical systems, which are devoid of algebraic equations. The proposed method identifies the causal drivers up to a minimal subset. PoV deploys DIPCA to first determine the number of algebraic relations ($n_a$), the number of dynamical relations ($n_d$) and the constraint matrix. Subsequently, the subsets are identified through an admissible partitioning of the constraint matrix by finding the condition number of it. Case studies are presented to demonstrate the effectiveness of the proposed method.