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 model selection


Model selection with proper scoring rules on data sets of time series: prefer the mean scaled score

arXiv.org Machine Learning

We study the problem of model selection among probabilistic forecasting models evaluated on datasets of multiple time series. The performance of a model on a single time series is quantified by the average value (score) of a proper scoring rule over a test set, but extending model selection to data sets of time series requires aggregating these scores. Common approaches either rely on scaling scores and averaging them (mean scaled score) or avoid scaling by using alternative statistics such as mean ranks or win rates. However, these approaches can yield conflicting conclusions. We show that such discrepancies arise from the skewness of the distribution of the scores, which is particularly pronounced when test sets are short. The skewness can cause non-mean criteria (e.g., mean rank, median, win rate) to select misspecified models. In contrast, the mean score is immune from this problem. We further show that, as the size of the test sets increases, all aggregation criteria converge to the same model selection decision, mitigating these discrepancies. Our experiments on intermittent demand time series, including data from the M5 competition, highlight the importance of sufficiently large test sets; the mean scaled score appears to be the more reliable approach, also because empirically we found its decision to remain consistent when different scaling factors are adopted.


Bayesian model selection of vine copulas: a loss-based perspective

arXiv.org Machine Learning

The growing popularity of vine copulas in multivariate statistical analysis is largely driven by their ability to capture complex dependence structures. However, this flexibility comes at a cost, as the number of possible vine models grows rapidly and becomes intractable even in moderately low-dimensional settings. These limitations affect the practical applicability of current Bayesian inference and model selection approaches, effectively restricting it to problems of relatively small-dimension due to their high computational cost. This paper addresses the still open challenge of efficient model selection and estimation in Bayesian vine methodology. We propose a novel framework for Bayesian vine copula model selection that combines loss-based model priors with the shotgun stochastic search strategy. The strength of the proposed approach is twofold: it promotes sparsity and enables fast and effective structure selection. Furthermore, our comprehensive framework jointly identifies the vine structure, selects the copula families, and estimates the model parameters. The power of the proposed approach is demonstrated via simulation studies and an application to a real dataset of EFT portfolio asset returns.


Learning Latent Variable Models via Jarzynski-adjusted Langevin Algorithm

Neural Information Processing Systems

We utilise a sampler originating from nonequilibrium statistical mechanics, termed here Jarzynski-adjusted Langevin algorithm (JALA), to build statistical estimation methods in latent variable models. We achieve this by leveraging Jarzynski's equality and developing algorithms based on a weighted version of the unadjusted Langevin algorithm (ULA) with recursively updated weights. Adapting this for latent variable models, we develop a sequential Monte Carlo (SMC) method that provides the maximum marginal likelihood estimate of the parameters, termed JALA-EM. Under suitable regularity assumptions on the marginal likelihood, we provide a nonasymptotic analysis of the JALA-EM scheme implemented with stochastic gradient descent and show that it provably converges to the maximum marginal likelihood estimate. We demonstrate the performance of JALA-EM on a variety of latent variable models and show that it performs comparably to existing methods in terms of accuracy and computational efficiency. Importantly, the ability to recursively estimate marginal likelihoods--an uncommon feature among scalable methods--makes our approach particularly suited for model selection, which we validate through dedicated experiments.



LCDB 1.1: A Database Illustrating Learning Curves Are More Ill-Behaved Than Previously Thought

Neural Information Processing Systems

Sample-wise learning curves plot performance versus training set size. They are useful for studying scaling laws and speeding up hyperparameter tuning and model selection. Learning curves are often assumed to be well-behaved: monotone (i.e.


TorchKM: A GPU-Oriented Library for Kernel Learning and Model Selection

arXiv.org Machine Learning

TorchKM is an open-source library for kernel machines, including support vector machines, kernel logistic regression, and kernel quantile regression, with GPU acceleration. The library features a scikit-learn-style API and is designed to exploit GPU-friendly linear algebra, accelerating the full training and model-selection pipeline through intelligent reuse of matrix operations. Benchmarks show competitive predictive performance with substantial speedups over standard baselines. The efficiency and programmable design also make TorchKM a kernel-learning component for AI-driven workflows. Code and documentation are available at https://github.com/YikaiZhang95/torchkm, and the package can be easily installed via PyPI.


Structure-Adaptive Conformal Inference for Large-Scale Out-of-Distribution Testing

arXiv.org Machine Learning

This paper addresses structured out-of-distribution (OOD) testing in high-stakes machine learning applications. Traditional conformal methods rely on joint exchangeability, making it difficult to incorporate auxiliary information such as spatiotemporal or grouping structures. To overcome this limitation, we propose the structure-adaptive conformal q-value (SCQ), a significance index that integrates individual test evidence with structural patterns. We also develop pseudo-score-guided transductive automated model selection (P-TAMS), which adapts conformalized model selection to structured OOD testing across a toolbox of candidate models. Together, SCQ and P-TAMS form a unified framework under pairwise exchangeability, providing finite-sample error-rate control, improved power, and enhanced interpretability. Experiments on simulated and real data demonstrate that the proposed approach controls the false discovery rate and performs well across diverse settings.


Why Model Selection Fails in Time Series Forecasting: An Empirical Study of Instability Across Data Regimes

arXiv.org Machine Learning

Time series forecasting models often exhibit inconsistent performance across datasets with varying statistical and structural properties. Despite the wide range of available forecasting techniques, it remains unclear whether model selection can be reliably guided by simple data characteristics. This paper investigates why rule-based model selection fails in time series forecasting by analyzing the relationship between data-regime descriptors and model performance. A descriptor-based framework is introduced to characterize time series using measurable properties, including trend strength, seasonality, noise level, and temporal dependence. Based on these descriptors, a rule-based selection mechanism is formulated to map data regimes to candidate forecasting models. The approach is evaluated on multiple real-world datasets across different domains and forecasting horizons. The results show that rule-based model selection achieves low accuracy, with correct model identification occurring in only a small fraction of cases. Significant discrepancies are observed between recommended and empirically optimal models, particularly in noisy and mixed regimes. Further analysis reveals that model performance is highly sensitive to both dataset characteristics and forecasting horizon, resulting in substantial ranking instability across scenarios. These findings explain why simple heuristic rules fail to generalize and demonstrate that forecasting performance cannot be reliably predicted using static, descriptor-based approaches. This study provides empirical evidence that model selection in time series forecasting is inherently context-dependent and highlights the need for more adaptive, data-driven strategies.



Occam's Razor is Only as Sharp as Your ELBO

arXiv.org Machine Learning

The marginal likelihood, also known as the evidence, is regarded as a mathematical embodiment of Occam's razor, enabling model selection that avoids overfitting. The evidence lower bound (ELBO) objective from variational inference has also been used for similar purposes. Prior work has shown that restricting the approximate posterior family via a mean-field approximation can lead the ELBO to underfit. In this paper, we show how ELBO-based hyperparameter learning in a simple over-parameterized regression model can also produce overfitting, depending on the assumed rank of the covariance matrix in a Gaussian approximate posterior. Surprisingly, among only the underfit and overfit options, Bayesian model selection via the evidence itself sometimes prefers the overfit version, while the ELBO does not. Bayesian practitioners hoping to scale to large models should be cautious about how reduced-rank assumptions needed for tractability may impact the potential for model selection.