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Instance-Based Uncertainty Estimation for Gradient-Boosted Regression Trees

Neural Information Processing Systems

Gradient-boosted regression trees (GBRTs) are hugely popular for solving tabular regression problems, but provide no estimate of uncertainty. We propose Instance-Based Uncertainty estimation for Gradient-boosted regression trees (IBUG), a simple method for extending any GBRT point predictor to produce probabilistic predictions. IBUG computes a non-parametric distribution around a prediction using the $k$-nearest training instances, where distance is measured with a tree-ensemble kernel. The runtime of IBUG depends on the number of training examples at each leaf in the ensemble, and can be improved by sampling trees or training instances. Empirically, we find that IBUG achieves similar or better performance than the previous state-of-the-art across 22 benchmark regression datasets. We also find that IBUG can achieve improved probabilistic performance by using different base GBRT models, and can more flexibly model the posterior distribution of a prediction than competing methods. We also find that previous methods suffer from poor probabilistic calibration on some datasets, which can be mitigated using a scalar factor tuned on the validation data.



Instance-Based Uncertainty Estimation for Gradient-Boosted Regression Trees

Neural Information Processing Systems

Gradient-boosted regression trees (GBRTs) are hugely popular for solving tabular regression problems, but provide no estimate of uncertainty. We propose Instance-Based Uncertainty estimation for Gradient-boosted regression trees (IBUG), a simple method for extending any GBRT point predictor to produce probabilistic predictions. IBUG computes a non-parametric distribution around a prediction using the k -nearest training instances, where distance is measured with a tree-ensemble kernel. The runtime of IBUG depends on the number of training examples at each leaf in the ensemble, and can be improved by sampling trees or training instances. Empirically, we find that IBUG achieves similar or better performance than the previous state-of-the-art across 22 benchmark regression datasets.


Embracing Uncertainty Flexibility: Harnessing a Supervised Tree Kernel to Empower Ensemble Modelling for 2D Echocardiography-Based Prediction of Right Ventricular Volume

Bohoran, Tuan A., Kampaktsis, Polydoros N., McLaughlin, Laura, Leb, Jay, McCann, Gerry P., Giannakidis, Archontis

arXiv.org Artificial Intelligence

The right ventricular (RV) function deterioration strongly predicts clinical outcomes in numerous circumstances. To boost the clinical deployment of ensemble regression methods that quantify RV volumes using tabular data from the widely available two-dimensional echocardiography (2DE), we propose to complement the volume predictions with uncertainty scores. To this end, we employ an instance-based method which uses the learned tree structure to identify the nearest training samples to a target instance and then uses a number of distribution types to more flexibly model the output. The probabilistic and point-prediction performances of the proposed framework are evaluated on a relatively small-scale dataset, comprising 100 end-diastolic and end-systolic RV volumes. The reference values for point performance were obtained from MRI. The results demonstrate that our flexible approach yields improved probabilistic and point performances over other state-of-the-art methods. The appropriateness of the proposed framework is showcased by providing exemplar cases. The estimated uncertainty embodies both aleatoric and epistemic types. This work aligns with trustworthy artificial intelligence since it can be used to enhance the decision-making process and reduce risks. The feature importance scores of our framework can be exploited to reduce the number of required 2DE views which could enhance the proposed pipeline's clinical application.


Instance-Based Uncertainty Estimation for Gradient-Boosted Regression Trees

Brophy, Jonathan, Lowd, Daniel

arXiv.org Artificial Intelligence

Gradient-boosted regression trees (GBRTs) are hugely popular for solving tabular regression problems, but provide no estimate of uncertainty. We propose Instance-Based Uncertainty estimation for Gradient-boosted regression trees (IBUG), a simple method for extending any GBRT point predictor to produce probabilistic predictions. IBUG computes a non-parametric distribution around a prediction using the $k$-nearest training instances, where distance is measured with a tree-ensemble kernel. The runtime of IBUG depends on the number of training examples at each leaf in the ensemble, and can be improved by sampling trees or training instances. Empirically, we find that IBUG achieves similar or better performance than the previous state-of-the-art across 22 benchmark regression datasets. We also find that IBUG can achieve improved probabilistic performance by using different base GBRT models, and can more flexibly model the posterior distribution of a prediction than competing methods. We also find that previous methods suffer from poor probabilistic calibration on some datasets, which can be mitigated using a scalar factor tuned on the validation data. Source code is available at https://www.github.com/jjbrophy47/ibug.