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 model selection


Forecasting Multivariate Time Series under Predictive Heterogeneity: A Validation-Driven Clustering Framework

Ma, Ziling, Oriona, Ángel López, Ombao, Hernando, Sun, Ying

arXiv.org Machine Learning

We study adaptive pooling under predictive heterogeneity in high-dimensional multivariate time series forecasting, where global models improve statistical efficiency but may fail to capture heterogeneous predictive structure, while naive specialization can induce negative transfer. We formulate adaptive pooling as a statistical decision problem and propose a validation-driven framework that determines when and how specialization should be applied. Rather than grouping series based on representation similarity, we define partitions through out-of-sample predictive performance, thereby aligning data organization with predictive risk, defined as expected out-of-sample loss and approximated via validation error. Cluster assignments are iteratively updated using validation losses for both point (Huber) and probabilistic (pinball) forecasting, improving robustness to heavy-tailed errors and local anomalies. To ensure reliability, we introduce a leakage-free fallback mechanism that reverts to a global model whenever specialization fails to improve validation performance, providing a safeguard against performance degradation under a strict training-validation-test protocol. Experiments on large-scale traffic datasets demonstrate consistent improvements over strong baselines while avoiding degradation when heterogeneity is weak. Overall, the proposed framework provides a principled and practically reliable approach to adaptive pooling in high-dimensional forecasting problems.



Model Selection and Parameter Estimation of Multi-dimensional Gaussian Mixture Model

Liu, Xinyu, Zhang, Hai

arXiv.org Machine Learning

In this paper, we study the problem of learning multi-dimensional Gaussian Mixture Models (GMMs), with a specific focus on model order selection and efficient mixing distribution estimation. We first establish an information-theoretic lower bound on the critical sample complexity required for reliable model selection. More specifically, we show that distinguishing a $k$-component mixture from a simpler model necessitates a sample size scaling of $Ω(Δ^{-(4k-4)})$. We then propose a thresholding-based estimation algorithm that evaluates the spectral gap of an empirical covariance matrix constructed from random Fourier measurement vectors. This parameter-free estimator operates with an efficient time complexity of $\mathcal{O}(k^2 n)$, scaling linearly with the sample size. We demonstrate that the sample complexity of our method matches the established lower bound, confirming its minimax optimality with respect to the component separation distance $Δ$. Conditioned on the estimated model order, we subsequently introduce a gradient-based minimization method for parameter estimation. To effectively navigate the non-convex objective landscape, we employ a data-driven, score-based initialization strategy that guarantees rapid convergence. We prove that this method achieves the optimal parametric convergence rate of $\mathcal{O}_p(n^{-1/2})$ for estimating the component means. To enhance the algorithm's efficiency in high-dimensional regimes where the ambient dimension exceeds the number of mixture components (i.e., \(d > k\)), we integrate principal component analysis (PCA) for dimension reduction. Numerical experiments demonstrate that our Fourier-based algorithmic framework outperforms conventional Expectation-Maximization (EM) methods in both estimation accuracy and computational time.


Scalable Model Selection for Belief Networks

Neural Information Processing Systems

We propose a scalable algorithm for model selection in sigmoid belief networks (SBNs), based on the factorized asymptotic Bayesian (FAB) framework. We derive the corresponding generalized factorized information criterion (gFIC) for the SBN, which is proven to be statistically consistent with the marginal log-likelihood. To capture the dependencies within hidden variables in SBNs, a recognition network is employed to model the variational distribution. The resulting algorithm, which we call FABIA, can simultaneously execute both model selection and inference by maximizing the lower bound of gFIC. On both synthetic and real data, our experiments suggest that FABIA, when compared to state-of-the-art algorithms for learning SBNs, $(i)$ produces a more concise model, thus enabling faster testing; $(ii)$ improves predictive performance; $(iii)$ accelerates convergence; and $(iv)$ prevents overfitting.


Union of Intersections (UoI) for Interpretable Data Driven Discovery and Prediction

Neural Information Processing Systems

The increasing size and complexity of scientific data could dramatically enhance discovery and prediction for basic scientific applications, e.g., neuroscience, genetics, systems biology, etc. Realizing this potential, however, requires novel statistical analysis methods that are both interpretable and predictive. We introduce the Union of Intersections (UoI) method, a flexible, modular, and scalable framework for enhanced model selection and estimation. The method performs model selection and model estimation through intersection and union operations, respectively. We show that UoI can satisfy the bi-criteria of low-variance and nearly unbiased estimation of a small number of interpretable features, while maintaining high-quality prediction accuracy. We perform extensive numerical investigation to evaluate a UoI algorithm ($UoI_{Lasso}$) on synthetic and real data. In doing so, we demonstrate the extraction of interpretable functional networks from human electrophysiology recordings as well as the accurate prediction of phenotypes from genotype-phenotype data with reduced features. We also show (with the $UoI_{L1Logistic}$ and $UoI_{CUR}$ variants of the basic framework) improved prediction parsimony for classification and matrix factorization on several benchmark biomedical data sets. These results suggest that methods based on UoI framework could improve interpretation and prediction in data-driven discovery across scientific fields.


Neural Architecture Search with Bayesian Optimisation and Optimal Transport

Neural Information Processing Systems

Bayesian Optimisation (BO) refers to a class of methods for global optimisation of a function f which is only accessible via point evaluations. It is typically used in settings where f is expensive to evaluate. A common use case for BO in machine learning is model selection, where it is not possible to analytically model the generalisation performance of a statistical model, and we resort to noisy and expensive training and validation procedures to choose the best model. Conventional BO methods have focused on Euclidean and categorical domains, which, in the context of model selection, only permits tuning scalar hyper-parameters of machine learning algorithms. However, with the surge of interest in deep learning, there is an increasing demand to tune neural network architectures. In this work, we develop NASBOT, a Gaussian process based BO framework for neural architecture search. To accomplish this, we develop a distance metric in the space of neural network architectures which can be computed efficiently via an optimal transport program. This distance might be of independent interest to the deep learning community as it may find applications outside of BO. We demonstrate that NASBOT outperforms other alternatives for architecture search in several cross validation based model selection tasks on multi-layer perceptrons and convolutional neural networks.




TowardsReliableModelSelectionforUnsupervised DomainAdaptation: AnEmpiricalStudyandA CertifiedBaseline

Neural Information Processing Systems

Existing approaches can be categorized into two types. The first type involves leveraging labeled source data for target-domain model selection [9,14-16]. The second type designs unsupervised metrics based on priors of the learned target-domain structure and utilizes the metrics for model selection[17,19,18,20].