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We employ an evolutionary optimization framework that perturbs initial states to generate informative and diverse policy demonstrations. A joint surrogate fitness function guides the optimization by combining local diversity, behavioral…

Machine Learning · Computer Science 2025-04-22 Philipp Altmann , Céline Davignon , Maximilian Zorn , Fabian Ritz , Claudia Linnhoff-Popien , Thomas Gabor

The integration of artificial intelligence (AI) into medicine is remarkable, offering advanced diagnostic and therapeutic possibilities. However, the inherent opacity of complex AI models presents significant challenges to their clinical…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Binbin Wen , Yihang Wu , Tareef Daqqaq , Ahmad Chaddad

Surrogate algorithms such as Bayesian optimisation are especially designed for black-box optimisation problems with expensive objectives, such as hyperparameter tuning or simulation-based optimisation. In the literature, these algorithms…

Machine Learning · Computer Science 2024-03-14 Laurens Bliek , Arthur Guijt , Rickard Karlsson , Sicco Verwer , Mathijs de Weerdt

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

As climate change accelerates the frequency and severity of extreme events such as wildfires, the need for accurate, explainable, and actionable forecasting becomes increasingly urgent. While artificial intelligence (AI) models have shown…

Machine Learning · Computer Science 2025-11-18 Kiana Vu , İsmet Selçuk Özer , Phung Lai , Zheng Wu , Thilanka Munasinghe , Jennifer Wei

Explainable Recommendation has attracted a lot of attention due to a renewed interest in explainable artificial intelligence. In particular, post-hoc approaches have proved to be the most easily applicable ones to increasingly complex…

Information Retrieval · Computer Science 2021-10-11 Vito Walter Anelli , Alejandro Bellogín , Tommaso Di Noia , Francesco Maria Donini , Vincenzo Paparella , Claudio Pomo

Bayesian inference typically relies on a large number of model evaluations to estimate posterior distributions. Established methods like Markov Chain Monte Carlo (MCMC) and Amortized Bayesian Inference (ABI) can become computationally…

Explainability techniques for data-driven predictive models based on artificial intelligence and machine learning algorithms allow us to better understand the operation of such systems and help to hold them accountable. New transparency…

Machine Learning · Computer Science 2022-09-09 Kacper Sokol , Alexander Hepburn , Raul Santos-Rodriguez , Peter Flach

In offline data-driven multi-objective optimization (MOO), optimization is performed using surrogate models trained only on an offline dataset. These surrogate models contain inherent errors and uncertainty. This epistemic uncertainty can…

Neural and Evolutionary Computing · Computer Science 2026-04-30 Huanbo Lyu , Miqing Li , Shiqiao Zhou , Daniel Herring , Jelena Ninic , Zheming Zuo , Lingfeng Wang , James Andrews , Fabian Spill , Shuo Wang

Local surrogate models, to approximate the local decision boundary of a black-box classifier, constitute one approach to generate explanations for the rationale behind an individual prediction made by the back-box. This paper highlights the…

Machine Learning · Computer Science 2018-06-21 Thibault Laugel , Xavier Renard , Marie-Jeanne Lesot , Christophe Marsala , Marcin Detyniecki

Surrogate models are of high interest for many engineering applications, serving as cheap-to-evaluate time-efficient approximations of black-box functions to help engineers and practitioners make decisions and understand complex systems. As…

Machine Learning · Computer Science 2025-03-30 Mohammad Daffa Robani , Paul Saves , Pramudita Satria Palar , Lavi Rizki Zuhal , oseph Morlier

The wide-spread adoption of representation learning technologies in clinical decision making strongly emphasizes the need for characterizing model reliability and enabling rigorous introspection of model behavior. While the former need is…

Machine Learning · Computer Science 2020-05-01 Jayaraman J. Thiagarajan , Prasanna Sattigeri , Deepta Rajan , Bindya Venkatesh

The paper proposes and investigates an approach for surrogate-assisted performance prediction of data-driven knowledge discovery algorithms. The approach is based on the identification of surrogate models for prediction of the target…

Machine Learning · Computer Science 2022-01-25 Anastasia A. Funkner , Aleksey N. Yakovlev , Sergey V. Kovalchuk

For optimization models to be used in practice, it is crucial that users trust the results. A key factor in this aspect is the interpretability of the solution process. A previous framework for inherently interpretable optimization models…

Optimization and Control · Mathematics 2026-02-13 Marc Goerigk , Michael Hartisch , Sebastian Merten , Kartikey Sharma

The use of Artificial Intelligence (AI) models in real-world and high-risk applications has intensified the discussion about their trustworthiness and ethical usage, from both a technical and a legislative perspective. The field of…

Machine Learning · Computer Science 2025-12-17 Ilaria Vascotto , Alex Rodriguez , Alessandro Bonaita , Luca Bortolussi

Supervised Machine Learning (SML) algorithms, such as Gradient Boosting, Random Forest, and Neural Networks, have become popular in recent years due to their superior predictive performance over traditional statistical methods. However,…

Machine Learning · Statistics 2020-07-30 Linwei Hu , Jie Chen , Vijayan N. Nair , Agus Sudjianto

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target…

Machine Learning · Computer Science 2025-03-07 Manh Cuong Dao , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang

Many problems in computer vision have recently been tackled using models whose predictions cannot be easily interpreted, most commonly deep neural networks. Surrogate explainers are a popular post-hoc interpretability method to further…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Ricardo Kleinlein , Alexander Hepburn , Raúl Santos-Rodríguez , Fernando Fernández-Martínez

Surrogate models of numerical relativity simulations of merging black holes provide the most accurate tools for gravitational-wave data analysis. Neural network-based surrogates promise evaluation speedups, but their accuracy relies on…

General Relativity and Quantum Cosmology · Physics 2025-05-21 Lucy M. Thomas , Katerina Chatziioannou , Vijay Varma , Scott E. Field
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