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Related papers: Deep interpretable ensembles

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This work introduces a novel interpretable machine learning method called Mixture of Decision Trees (MoDT). It constitutes a special case of the Mixture of Experts ensemble architecture, which utilizes a linear model as gating function and…

Machine Learning · Computer Science 2022-11-29 Simeon Brüggenjürgen , Nina Schaaf , Pascal Kerschke , Marco F. Huber

Proteins and other macromolecules exist not in a single state but as dynamic ensembles of interconverting conformations, which are essential for catalysis, allosteric regulation, and molecular recognition. While AI-based structure…

Biomolecules · Quantitative Biology 2025-10-22 Stephanie A. Wankowicz , Massimiliano Bonomi

Black box models in machine learning have demonstrated excellent predictive performance in complex problems and high-dimensional settings. However, their lack of transparency and interpretability restrict the applicability of such models in…

Machine Learning · Computer Science 2020-06-09 Numair Sani , Jaron Lee , Razieh Nabi , Ilya Shpitser

Interpretable deep learning is a fundamental building block towards safer AI, especially when the deployment possibilities of deep learning-based computer-aided medical diagnostic systems are so eminent. However, without a computational…

Machine Learning · Computer Science 2018-06-27 Anirban Mukhopadhyay

Explaining recommendations enables users to understand whether recommended items are relevant to their needs and has been shown to increase their trust in the system. More generally, if designing explainable machine learning models is key…

Machine Learning · Computer Science 2020-08-27 Darius Afchar , Romain Hennequin

End-to-end deep neural networks have achieved remarkable success across various domains but are often criticized for their lack of interpretability. While post hoc explanation methods attempt to address this issue, they often fail to…

Machine Learning · Computer Science 2025-01-22 Weixin Chen , Simon Yu , Huajie Shao , Lui Sha , Han Zhao

This paper introduces a novel adaptive ensemble framework that synergistically combines XGBoost and neural networks through sophisticated meta-learning. The proposed method leverages advanced uncertainty quantification techniques and…

Machine Learning · Computer Science 2025-10-07 Arthur Sedek

Traffic flow forecasting is a crucial task in intelligent transport systems. Deep learning offers an effective solution, capturing complex patterns in time-series traffic flow data to enable the accurate prediction. However, deep learning…

Machine Learning · Computer Science 2024-11-07 Qiyuan Zhu , A. K. Qin , Hussein Dia , Adriana-Simona Mihaita , Hanna Grzybowska

We formally study how ensemble of deep learning models can improve test accuracy, and how the superior performance of ensemble can be distilled into a single model using knowledge distillation. We consider the challenging case where the…

Machine Learning · Computer Science 2023-02-16 Zeyuan Allen-Zhu , Yuanzhi Li

Advanced machine learning models have recently achieved high predictive accuracy for weather and climate prediction. However, these complex models often lack inherent transparency and interpretability, acting as "black boxes" that impede…

Atmospheric and Oceanic Physics · Physics 2024-03-29 Ruyi Yang , Jingyu Hu , Zihao Li , Jianli Mu , Tingzhao Yu , Jiangjiang Xia , Xuhong Li , Aritra Dasgupta , Haoyi Xiong

State of the art machine learning algorithms are highly optimized to provide the optimal prediction possible, naturally resulting in complex models. While these models often outperform simpler more interpretable models by order of…

Machine Learning · Statistics 2016-11-24 Yotam Hechtlinger

With the dramatic advances in deep learning technology, machine learning research is focusing on improving the interpretability of model predictions as well as prediction performance in both basic and applied research. While deep learning…

Machine Learning · Computer Science 2024-01-24 Shunsuke Kitada

Ensembles are widely used in machine learning and, usually, provide state-of-the-art performance in many prediction tasks. From the very beginning, the diversity of an ensemble has been identified as a key factor for the superior…

Machine Learning · Computer Science 2022-02-17 Luis A. Ortega , Rafael Cabañas , Andrés R. Masegosa

The use of machine learning algorithms in finance, medicine, and criminal justice can deeply impact human lives. As a consequence, research into interpretable machine learning has rapidly grown in an attempt to better control and fix…

Machine Learning · Computer Science 2021-02-02 Thibaut Vidal , Toni Pacheco , Maximilian Schiffer

Predictive models that are developed in a regulated industry or a regulated application, like determination of credit worthiness, must be interpretable and rational (e.g., meaningful improvements in basic credit behavior must result in…

Machine Learning · Statistics 2018-06-13 Bob Vanderheyden , Jennifer Priestley

A reliable uncertainty estimator is a key ingredient in the successful use of machine-learning force fields for predictive calculations. Important considerations are correlation with error, overhead during training and inference, and…

Computational Physics · Physics 2023-06-07 Jesús Carrete , Hadrián Montes-Campos , Ralf Wanzenböck , Esther Heid , Georg K. H. Madsen

Models often need to be constrained to a certain size for them to be considered interpretable. For example, a decision tree of depth 5 is much easier to understand than one of depth 50. Limiting model size, however, often reduces accuracy.…

Machine Learning · Computer Science 2020-07-02 Abhishek Ghose , Balaraman Ravindran

This study aims to comprehensively investigate the deep ensemble approach, an approximate Bayesian inference, in the multi-output regression task for predicting the aerodynamic performance of a missile configuration. To this end, the effect…

Machine Learning · Computer Science 2023-11-27 Sunwoong Yang , Kwanjung Yee

Despite the recent remarkable advances in neural machine translation, translation quality for low-resource language pairs remains subpar. Ensembling multiple systems is a widely adopted technique to enhance performance, often accomplished…

Computation and Language · Computer Science 2026-03-10 Seokjin Oh , Keonwoong Noh , Woohwan Jung

Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is that neural networks only give point…

Computational Physics · Physics 2023-05-10 Albert Zhu , Simon Batzner , Albert Musaelian , Boris Kozinsky