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Supplementary Document

Neural Information Processing Systems

The pseudo-code of plugging our method into the vanilla BO is summarised in Algorithm 1. Therefore, our method is applicable to any other variants of BO in a plug-in manner. In this section, we present the proofs associated with the theoretical assertions from Section 2. To Lemma 1. Assume the GP employs a stationary kernel Lemma 2. Given Lemma 1, determining Proposition 2. Leveraging Lemma 2, suppose Lemma 3. As per Srinivas et al., the optimization process in BO can be conceptualized as a sampling Pr null |f ( x) µ(x) | ωσ ( x) null > δ, (24) where δ > 0 signifies the confidence level adhered to by the UCB. This lemma is directly from Srinivas et al. . The proof can be found therein. Theorem 1. Leveraging Corollary 1, when employing the termination method proposed in this paper, As discussed in Remark 2 of Section 2.2 in the main manuscript, we suggest initializing L-BFGS Different subplots are (a) our proposed method, (b) Naïve method, (c) Nguyen's method, (d) Lorenz's Different subplots are (a) our proposed method, (b) Naïve method, (c) Nguyen's method, (d) Lorenz's Different subplots are (a) our proposed method, (b) Naïve method, (c) Nguyen's method, (d) Lorenz's Different subplots are (a) our proposed method, (b) Naïve method, (c) Nguyen's method, (d) Lorenz's



Figure 1: Protein with random forest across 140 evaluations with different NN structure for distGP's

Neural Information Processing Systems

Thank you for all the reviewers time and effort. Thank you for your detailed review. Here, the idea is to re-train our model when new data is available. Here we explain our design space (see additional details in Appendix A.3, B and C); (i) Choice of embedding (joint vs Reviewer 3 Thank you for your review, and for comments regarding experiments, please see above. Thank you for your positive comments regarding the quality of the paper.


Consistency of Honest Decision Trees and Random Forests

Bladt, Martin, Lemvig, Rasmus Frigaard

arXiv.org Machine Learning

We study various types of consistency of honest decision trees and random forests in the regression setting. In contrast to related literature, our proofs are elementary and follow the classical arguments used for smoothing methods. Under mild regularity conditions on the regression function and data distribution, we establish weak and almost sure convergence of honest trees and honest forest averages to the true regression function, and moreover we obtain uniform convergence over compact covariate domains. The framework naturally accommodates ensemble variants based on subsampling and also a two-stage bootstrap sampling scheme. Our treatment synthesizes and simplifies existing analyses, in particular recovering several results as special cases. The elementary nature of the arguments clarifies the close relationship between data-adaptive partitioning and kernel-type methods, providing an accessible approach to understanding the asymptotic behavior of tree-based methods.


Covariance-Driven Regression Trees: Reducing Overfitting in CART

Zhang, Likun, Ma, Wei

arXiv.org Machine Learning

Decision trees are powerful machine learning algorithms, widely used in fields such as economics and medicine for their simplicity and interpretability. However, decision trees such as CART are prone to overfitting, especially when grown deep or the sample size is small. Conventional methods to reduce overfitting include pre-pruning and post-pruning, which constrain the growth of uninformative branches. In this paper, we propose a complementary approach by introducing a covariance-driven splitting criterion for regression trees (CovRT). This method is more robust to overfitting than the empirical risk minimization criterion used in CART, as it produces more balanced and stable splits and more effectively identifies covariates with true signals. We establish an oracle inequality of CovRT and prove that its predictive accuracy is comparable to that of CART in high-dimensional settings. We find that CovRT achieves superior prediction accuracy compared to CART in both simulations and real-world tasks.


A Theoretical and Empirical Taxonomy of Imbalance in Binary Classification

Essomba, Rose Yvette Bandolo, Fokoué, Ernest

arXiv.org Machine Learning

Class imbalance significantly degrades classification performance, yet its effects are rarely analyzed from a unified theoretical perspective. We propose a principled framework based on three fundamental scales: the imbalance coefficient $η$, the sample--dimension ratio $κ$, and the intrinsic separability $Δ$. Starting from the Gaussian Bayes classifier, we derive closed-form Bayes errors and show how imbalance shifts the discriminant boundary, yielding a deterioration slope that predicts four regimes: Normal, Mild, Extreme, and Catastrophic. Using a balanced high-dimensional genomic dataset, we vary only $η$ while keeping $κ$ and $Δ$ fixed. Across parametric and non-parametric models, empirical degradation closely follows theoretical predictions: minority Recall collapses once $\log(η)$ exceeds $Δ\sqrtκ$, Precision increases asymmetrically, and F1-score and PR-AUC decline in line with the predicted regimes. These results show that the triplet $(η,κ,Δ)$ provides a model-agnostic, geometrically grounded explanation of imbalance-induced deterioration.


Adaptive Conformal Prediction via Bayesian Uncertainty Weighting for Hierarchical Healthcare Data

Shahbazi, Marzieh Amiri, Baheri, Ali, Azadeh-Fard, Nasibeh

arXiv.org Machine Learning

Clinical decision-making demands uncertainty quantification that provides both distribution-free coverage guarantees and risk-adaptive precision, requirements that existing methods fail to jointly satisfy. We present a hybrid Bayesian-conformal framework that addresses this fundamental limitation in healthcare predictions. Our approach integrates Bayesian hierarchical random forests with group-aware con-formal calibration, using posterior uncertainties to weight conformity scores while maintaining rigorous coverage validity. Evaluated on 61,538 admissions across 3,793 U.S. hospitals and 4 regions, our method achieves target coverage (94.3% vs 95% target) with adaptive precision: 21% narrower intervals for low-uncertainty cases while appropriately widening for high-risk predictions. Critically, we demonstrate that well-calibrated Bayesian uncertainties alone severely under-cover (14.1%), highlighting the necessity of our hybrid approach. This framework enables risk-stratified clinical protocols, efficient resource planning for high-confidence predictions, and conservative allocation with enhanced oversight for uncertain cases, providing uncertainty-aware decision support across diverse healthcare settings.