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In the pharmaceutical industry, where it is common to generate many QSAR models with large numbers of molecules and descriptors, the best QSAR methods are those that can generate the most accurate predictions but that are also insensitive…

生物大分子 · 定量生物学 2021-05-19 Robert P. Sheridan , Andy Liaw , Matthew Tudor

Current implementations of Gradient Boosting Machines are mostly designed for single-target regression tasks and commonly assume independence between responses when used in multivariate settings. As such, these models are not well suited if…

机器学习 · 计算机科学 2022-10-14 Alexander März

Regression trees are a popular machine learning algorithm that fit piecewise constant models by recursively partitioning the predictor space. This paper focuses on statistical inference for a data-dependent model obtained from a fitted…

统计方法学 · 统计学 2025-12-17 Soham Bakshi , Yiling Huang , Snigdha Panigrahi , Walter Dempsey

Gradient-boosted decision trees (GBDT) are widely used and highly effective machine learning approach for tabular data modeling. However, their complex structure may lead to low robustness against small covariate perturbation in unseen…

机器学习 · 统计学 2023-05-12 Shijie Cui , Agus Sudjianto , Aijun Zhang , Runze Li

We study the problem of efficient adversarial attacks on tree based ensembles such as gradient boosting decision trees (GBDTs) and random forests (RFs). Since these models are non-continuous step functions and gradient does not exist, most…

机器学习 · 计算机科学 2020-10-23 Chong Zhang , Huan Zhang , Cho-Jui Hsieh

Data organized in tabular format is ubiquitous in real-world applications, and users often craft tables with biased feature definitions and flexibly set prediction targets of their interests. Thus, a rapid development of a robust,…

机器学习 · 计算机科学 2024-07-29 Jintai Chen , Jiahuan Yan , Qiyuan Chen , Danny Ziyi Chen , Jian Wu , Jimeng Sun

The Graph Neural Network (GNN) has been widely used for graph data representation. However, the existing researches only consider the ideal balanced dataset, and the imbalanced dataset is rarely considered. Traditional methods such as…

机器学习 · 计算机科学 2022-05-10 S. Shi , Kai Qiao , Shuai Yang , L. Wang , J. Chen , Bin Yan

A gradient boosting decision tree (GBDT), which aggregates a collection of single weak learners (i.e. decision trees), is widely used for data mining tasks. Because GBDT inherits the good performance from its ensemble essence, much…

机器学习 · 计算机科学 2020-04-06 Wenjing Fang , Jun Zhou , Xiaolong Li , Kenny Q. Zhu

An information theoretic approach to learning the complexity of classification and regression trees and the number of trees in gradient tree boosting is proposed. The optimism (test loss minus training loss) of the greedy leaf splitting…

统计方法学 · 统计学 2020-08-14 Berent Ånund Strømnes Lunde , Tore Selland Kleppe , Hans Julius Skaug

Real-life machine learning problems exhibit distributional shifts in the data from one time to another or from one place to another. This behavior is beyond the scope of the traditional empirical risk minimization paradigm, which assumes…

机器学习 · 计算机科学 2024-07-24 Timothy DeLise

The best-performing models in ML are not interpretable. If we can explain why they outperform, we may be able to replicate these mechanisms and obtain both interpretability and performance. One example are decision trees and their…

机器学习 · 统计学 2023-02-09 Hugh Panton , Gavin Leech , Laurence Aitchison

Neural architecture search (NAS) with an accuracy predictor that predicts the accuracy of candidate architectures has drawn increasing attention due to its simplicity and effectiveness. Previous works usually employ neural network-based…

机器学习 · 计算机科学 2021-07-20 Renqian Luo , Xu Tan , Rui Wang , Tao Qin , Enhong Chen , Tie-Yan Liu

Heterogeneous treatment effect estimation in high-stakes applications demands models that simultaneously optimize precision, interpretability, and calibration. Many existing tree-based causal inference techniques, however, exhibit high…

机器学习 · 计算机科学 2025-04-21 Yichen Liu

We empirically characterize the performance of discriminative and generative LSTM models for text classification. We find that although RNN-based generative models are more powerful than their bag-of-words ancestors (e.g., they account for…

机器学习 · 统计学 2017-05-29 Dani Yogatama , Chris Dyer , Wang Ling , Phil Blunsom

Deploying machine learning models on compute-constrained devices has become a key building block of modern IoT applications. In this work, we present a compression scheme for boosted decision trees, addressing the growing need for…

机器学习 · 计算机科学 2026-03-04 Nina Herrmann , Jan Stenkamp , Benjamin Karic , Stefan Oehmcke , Fabian Gieseke

The MUST (Mass Unspecific Supervised Tagging) method has proven to be successful in implementing generic jet taggers capable of discriminating various signals over a wide range of jet masses. We implement the MUST concept by using eXtreme…

高能物理 - 唯象学 · 物理学 2024-11-26 J. A. Aguilar-Saavedra , E. Arganda , F. R. Joaquim , R. M. Sandá Seoane , J. F. Seabra

Generative models, particularly diffusion models, have achieved remarkable success in density estimation for multimodal data, drawing significant interest from the reinforcement learning (RL) community, especially in policy modeling in…

机器学习 · 计算机科学 2024-12-03 Jinouwen Zhang , Rongkun Xue , Yazhe Niu , Yun Chen , Jing Yang , Hongsheng Li , Yu Liu

With the insight of variance-bias decomposition, we design a new hybrid bagging-boosting algorithm named SBPMT for classification problems. For the boosting part of SBPMT, we propose a new tree model called Probit Model Tree (PMT) as base…

机器学习 · 统计学 2023-11-07 Tian Qin , Wei-Min Huang

Gradient boosting algorithms construct a regression predictor using a linear combination of ``base learners''. Boosting also offers an approach to obtaining robust non-parametric regression estimators that are scalable to applications with…

统计方法学 · 统计学 2020-08-11 Xiaomeng Ju , Matías Salibián-Barrera

Two popular boosted decsion tree (BDT) methods, Adaptive BDT (AdaBDT) and Gradient BDT (GradBDT) are studied in the classification problem of separating signal from background assuming all trees are weak learners. The following results are…

数据分析、统计与概率 · 物理学 2018-11-13 Li-Gang Xia