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Sequential model-based optimization sequentially selects a candidate point by constructing a surrogate model with the history of evaluations, to solve a black-box optimization problem. Gaussian process (GP) regression is a popular choice as…

Machine Learning · Statistics 2022-02-23 Jungtaek Kim , Seungjin Choi

Surrogate modeling has become a valuable technique for black-box optimization tasks with expensive evaluation of the objective function. In this paper, we investigate the relationship between the predictive accuracy of surrogate models and…

Neural and Evolutionary Computing · Computer Science 2022-10-04 Zbyněk Pitra , Jan Koza , Jiří Tumpach , Martin Holeňa

Decision-making in complex systems often relies on machine learning models, yet highly accurate models such as XGBoost and neural networks can obscure the reasoning behind their predictions. In operations research applications,…

Machine Learning · Computer Science 2025-02-28 Gaurav Arwade , Sigurdur Olafsson

The interpretability of random forest (RF) models is a research topic of growing interest in the machine learning (ML) community. In the state of the art, RF is considered a powerful learning ensemble given its predictive performance,…

Machine Learning · Computer Science 2024-07-18 Maissae Haddouchi , Abdelaziz Berrado

Tree ensembles, such as random forest and boosted trees, are renowned for their high prediction performance, whereas their interpretability is critically limited. In this paper, we propose a post processing method that improves the model…

Machine Learning · Statistics 2016-06-20 Satoshi Hara , Kohei Hayashi

Machine learning is permeating every conceivable domain to promote data-driven decision support. The focus is often on advanced black-box models due to their assumed performance advantages, whereas interpretable models are often associated…

Machine Learning · Computer Science 2024-09-24 Sven Kruschel , Nico Hambauer , Sven Weinzierl , Sandra Zilker , Mathias Kraus , Patrick Zschech

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

Although deep learning has achieved remarkable success in various scientific machine learning applications, its opaque nature poses concerns regarding interpretability and generalization capabilities beyond the training data.…

Machine Learning · Computer Science 2024-04-18 Amirhossein Arzani , Lingxiao Yuan , Pania Newell , Bei Wang

In recent years, the number of new applications for highly complex AI systems has risen significantly. Algorithmic decision-making systems (ADMs) are one of such applications, where an AI system replaces the decision-making process of a…

Artificial Intelligence · Computer Science 2024-06-25 Alexander Wilhelm , Katharina A. Zweig

In recent years, the use of sophisticated statistical models that influence decisions in domains of high societal relevance is on the rise. Although these models can often bring substantial improvements in the accuracy and efficiency of…

Machine Learning · Computer Science 2021-04-13 Alfredo Carrillo , Luis F. Cantú , Alejandro Noriega

Surrogate models are data-based approximations of computationally expensive simulations that enable efficient exploration of the model's design space and informed decision-making in many physical domains. The usage of surrogate models in…

Sound · Computer Science 2022-12-14 Barbara Cunha , Abdel-Malek Zine , Mohamed Ichchou , Christophe Droz , Stéphane Foulard

Recent efforts in Machine Learning (ML) interpretability have focused on creating methods for explaining black-box ML models. However, these methods rely on the assumption that simple approximations, such as linear models or decision-trees,…

Machine Learning · Computer Science 2019-06-13 Owen Lahav , Nicholas Mastronarde , Mihaela van der Schaar

As machine learning models are increasingly deployed in high-stakes domains, the need for interpretability has grown to meet strict regulatory and accountability constraints. Despite this interest, systematic evaluations of inherently…

Machine Learning · Computer Science 2026-03-27 Mattia Billa , Giovanni Orlandi , Veronica Guidetti , Federica Mandreoli

Concurrent to the rapid progress in the development of neural-network based models in areas like natural language processing and computer vision, the need for creating explanations for the predictions of these black-box models has risen…

Computation and Language · Computer Science 2025-08-18 Marc Brinner , Sina Zarriess

Interpretable classification models are built with the purpose of providing a comprehensible description of the decision logic to an external oversight agent. When considered in isolation, a decision tree, a set of classification rules, or…

Machine Learning · Computer Science 2019-03-18 Riccardo Guidotti , Salvatore Ruggieri

Problem definition. In retailing, discrete choice models (DCMs) are commonly used to capture the choice behavior of customers when offered an assortment of products. When estimating DCMs using transaction data, flexible models (such as…

Machine Learning · Computer Science 2025-10-08 Ningyuan Chen , Guillermo Gallego , Zhuodong Tang

In physics and engineering, many processes are modeled using non-differentiable black-box simulators, making the optimization of such functions particularly challenging. To address such cases, inspired by the Gradient Theorem, we propose…

Interpretable clustering algorithms aim to group similar data points while explaining the obtained groups to support knowledge discovery and pattern recognition tasks. While most approaches to interpretable clustering construct clusters…

Machine Learning · Computer Science 2024-08-27 Nakul Upadhya , Eldan Cohen

Surrogate modeling is a powerful methodology in chemical process engineering, frequently employed to accelerate optimization tasks where traditional flowsheet simulators are computationally prohibitive. However, the state-of-the-art is…

Computational Engineering, Finance, and Science · Computer Science 2025-09-30 Martin Bubel , Tobias Seidel , Michael Bortz

We discuss our insights into interpretable artificial-intelligence (AI) models, and how they are essential in the context of developing ethical AI systems, as well as data-driven solutions compliant with the Sustainable Development Goals…

Machine Learning · Computer Science 2021-08-25 Ricardo Vinuesa , Beril Sirmacek
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