Goto

Collaborating Authors

 rmse


Joint Model and Data Sparsification via the Marginal Likelihood

arXiv.org Machine Learning

Sparse recovery in linear systems underpins applications from signal processing to high-dimensional regression. Sparse Bayesian Learning, grounded in the principle of automatic relevance determination (ARD), offers a practical Bayesian mechanism for feature sparsity via marginal likelihood optimization. Yet, its reliance on a homoscedastic noise model renders it sensitive to data contaminations such as outliers or misspecified noise, harming model fit and predictions. Instead, we propose jointly learning individual feature and sample relevancies, enabling simultaneous model and data sparsification via a single Bayesian objective. This symmetric pruning of model and data offers a natural extension that preserves conjugacy, admits closed-form updates for standard optimization procedures, and aligns with perspectives from robust regression and influence functions. Empirical results across diverse regression tasks affirm that a joint ARD approach consistently yields both sparse and robust prediction models.


Decision-focused learning for optimal PV-Battery scheduling

arXiv.org Machine Learning

The use of residential photovoltaics has increased dramatically in recent years. With battery systems becoming more affordable, the optimal operation of a photovoltaic-battery system can bring significant savings to households. Optimal control requires correct forecasts of underlying parameters, such as photovoltaic power generation, to schedule the battery. While forecasting models have become increasingly accurate due to algorithmic advances and data availability, accuracy is typically measured in generic metrics which might not align with the downstream application. This study proposes a decision-focused learning framework that integrates optimization and prediction by training a Long Short-Term Memory photovoltaic energy forecaster on the downstream optimal scheduling of a battery system. The proposed methodology is compared against a standard two-phase approach. Across a 14-month evaluation period, the decision-focused method reduced average electricity costs across twenty buildings by 3.6% when normalized against performance bounds defined by a perfect forecast and a baseline of no optimization. Critically, this financial improvement was achieved despite the model exhibiting a root mean squared error of 19.9%, significantly higher than the decoupled model's 8.2%. Warm-starting the decision-focused model further improves results, lowering average cost by approximately 8%, while also mitigating the negative impact on statistical accuracy (root mean squared error of 13.7%). The findings are statistically significant at the 0.001 level across the twenty households and for each household individually. These results demonstrate that aligning forecast models with optimization goals is key for achieving cost advantages in PV-battery systems. Future research should replicate these findings on other datasets, alternate forecasting models and alternate optimization algorithms.


FLUXtrapolation: A benchmark on extrapolating ecosystem fluxes

arXiv.org Machine Learning

We introduce FLUXtrapolation, a benchmark for extrapolating ecosystem fluxes under progressively harder distribution shifts. Ecosystem fluxes are central to understanding the carbon, water, and energy cycles, yet they can only be measured directly at sparsely located measurement towers. Producing global flux estimates therefore requires training models on observed sites using globally available covariates and predicting in unobserved regions, that is, upscaling. Flux upscaling is a challenging domain generalization problem that is affected by a shift in covariate distribution across climates, ecosystem types, and environmental conditions, as well as by conditional shift: important drivers remain unobserved at global scale. We provide a quantitative analysis of both these shifts in $P_X$ and $P_{Y\mid X}$. FLUXtrapolation is designed based on domain expertise on flux upscaling: it defines temporal, spatial, and temperature-based extrapolation scenarios and evaluates performance across held-out domains, temporal aggregations, and tail errors. In a pilot study, we find that baselines perform similarly under median hourly RMSE, but separate under the proposed tail-focused and multi-scale evaluation. FLUXtrapolation therefore poses a realistic and thus relevant challenge for machine learning methods under distribution shift; at the same time, progress on this benchmark would directly support the scientific goal of improving flux upscaling.


Hedging Memory Horizons for Non-Stationary Prediction via Online Aggregation

arXiv.org Machine Learning

We study online prediction under distribution shift, where inputs arrive chronologically and outcomes are revealed only after prediction. In this setting, predictors must remain stable in quiet regimes yet adapt when regimes shift, and the right adaptation memory is unknown in advance. We propose MELO (Memory-hedged Exponentially Weighted Least-Squares Online aggregation), a model-agnostic method that hedges across adaptation scales: it wraps any non-anticipating base-predictor pool with exponentially weighted least-squares (EWLS) adaptation experts at multiple forgetting factors, and aggregates raw and EWLS-adapted forecasts with MLpol which is a parameter-free online aggregation rule. Under boundedness conditions, we establish deterministic oracle inequalities showing that it competes with both the best raw predictor and the best bounded, time-varying affine combinations of the base predictions, up to a path-length-dependent tracking cost and a sublinear aggregation overhead. We evaluate MELO on French national electricity-load forecasting through the COVID-19 lockdown using no regime indicators, lockdown dates, or policy covariates. MELO reduces overall RMSE by 34.7%relative to base-only MLpol and achieves lower overall RMSE than a TabICL reference supplied with an external COVID policy-response covariate. MELO requires only lightweight per-step recursive updates without model retraining.


Missingness-aware Data Imputation via AI-powered Bayesian Generative Modeling

arXiv.org Machine Learning

Missing data imputation remains a fundamental challenge in modern data science, especially when uncertainty quantification is essential. In this work, we propose MissBGM, an AI-powered missing data imputation method via Bayesian generative modeling that bridges the expressive flexibility of neural networks with the statistical rigor of Bayesian inference. Unlike existing methods that often focus on point estimates or treat the missingness mechanism implicitly, MissBGM explicitly and jointly models the data-generating and missingness mechanisms, providing principled posterior uncertainty over imputations rather than a single point estimate. We develop a stochastic optimization framework with alternating updates among missing values, model parameters, and latent variables until convergence. Our theoretical analysis shows that estimates of missing values from MissBGM converge consistently under mild assumptions. Empirically, we demonstrate that MissBGM achieves superior performance over traditional imputers and recent neural network-based methods across extensive experimental settings. These results establish MissBGM as a principled and scalable solution for modern missing data imputation.


KANs need curvature: penalties for compositional smoothness

arXiv.org Machine Learning

However, the activations of well-fitting KANs tend to exhibit pathologically high-curvature oscillations, making them difficult to interpret, and standard regularization penalties do not prevent this. Here we derive a basis-agnostic curvature penalty and show that penalized models can maintain accuracy while achieving substantially smoother activations. Accounting for how function composition shapes curvature, we prove an upper bound on the full model's curvature relative to the curvature penalty, and use this to motivate richer forms of penalties. Scientific machine learning is increasingly bottlenecked by the trade-off between accuracy and interpretability. Results such as ours that improve interpretability without sacrificing accuracy will further strengthen KANs as a practical tool for both prediction and insight.


SHIFT: Robust Double Machine Learning for Average Dose-Response Functions under Heavy-Tailed Contamination

arXiv.org Machine Learning

Double-machine-learning pipelines for the Average Dose-Response Function rely on kernel-weighted local-linear smoothers, which inherit unbounded functional influence: a single outlier within a kernel window biases the curve across the entire window. We introduce SHIFT (Self-calibrated Heavy-tail Inlier-Fit with Tempering), a robust DML estimator combining cross-fit nuisance orthogonalization with a kernel-local Welsch-loss second stage optimized by Graduated Non-Convexity, and -- the principal design choice -- a defensive OLS refit whose inlier cutoff is scaled by post-GNC residual MAD rather than the raw-outcome MAD. On a localized-contamination stress test at $p=0.25$ this design choice drops level-RMSE from 1.03 to 0.33 while leaving clean and uniformly-contaminated runs unchanged. Across 1,400 main-sweep fits, SHIFT has competitive worst-case shape recovery (RMSE $0.325$ at $p=0.25$, second to Huber-DML's $0.276$); among the three methods with worst-case RMSE below $0.35$, only SHIFT emits a non-uniform per-sample weight vector, recovering the ground-truth outlier mask at mean $F_1 \approx 0.96$ (range $0.945$--$0.968$) on Gaussian-jump DGPs. We pair the estimator with a six-technique Extreme Value Theory diagnostic suite (Hill, GPD-MLE/PWM, GEV, Mean Excess, parameter stability, causal tail coefficient) that lets a practitioner distinguish Frechet from Weibull regimes and choose between SHIFT and L1 alternatives on empirical grounds. Extensions to binary-treatment CATE (Huber pseudo-outcome X-Learner) and time-series ADRF (block-CV + rolling MAD) are included. A counter-intuitive ablation: linear nuisance models (Ridge, Lasso) outperform gradient-boosted nuisances for robust DML under uniform contamination, inverting the usual more-flexible-is-better heuristic.