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Structured prediction involves learning to predict complex structures rather than simple scalar values. The main challenge arises from the non-Euclidean nature of the output space, which generally requires relaxing the problem formulation.…

Machine Learning · Statistics 2024-11-19 Junjie Yang , Matthieu Labeau , Florence d'Alché-Buc

Surrogate model can replace the parametric full-order model (FOM) by an approximation model, which can significantly improve the efficiency of optimization design and reduce the complexity of engineering systems. However, due to limitations…

Fluid Dynamics · Physics 2025-03-18 Xu Wang , Ruiqi Huang , Jiaqing Kou , Hui Tang , Weiwei Zhang

In networked dynamical systems, inferring governing parameters is crucial for predicting nodal dynamics, such as gene expression levels, species abundance, or population density. While many parameter estimation techniques rely on…

Adaptation and Self-Organizing Systems · Physics 2025-03-25 Yanna Ding , Malik Magdon-Ismail , Jianxi Gao

Classical machine learning techniques often struggle with overfitting and unreliable predictions when exposed to novel conditions. Introducing causality into the modelling process offers a promising way to mitigate these challenges by…

Computational Engineering, Finance, and Science · Computer Science 2025-05-28 David Zapata Gonzalez , Marcel Meyer , Oliver Mueller

High-fidelity computational models of cardiac mechanics provide mechanistic insight into the heart function but are computationally prohibitive for routine clinical use. Surrogate models can accelerate simulations, but generalization across…

Machine Learning · Computer Science 2026-02-25 Davide Carrara , Marc Hirschvogel , Francesca Bonizzoni , Stefano Pagani , Simone Pezzuto , Francesco Regazzoni

Modern AI agents such as large language models are trained on diverse tasks -- translation, code generation, mathematical reasoning, and text prediction -- simultaneously. A key question is how to quantify the influence of each individual…

Machine Learning · Computer Science 2026-05-12 Zhenshuo Zhang , Minxuan Duan , Hongyang R. Zhang

Machine Learning (ML) algorithms are vital for supporting clinical decision-making in biomedical informatics. However, their predictive performance can vary across demographic groups, often due to the underrepresentation of historically…

Machine Learning · Computer Science 2025-03-04 Ioannis Bilionis , Ricardo C. Berrios , Luis Fernandez-Luque , Carlos Castillo

We propose an optimization algorithm to improve the design and performance of quantum communication networks. When physical architectures become too complex for analytical methods, numerical simulation becomes essential to study quantum…

Quantum Physics · Physics 2025-08-21 Luise Prielinger , Álvaro G. Iñesta , Gayane Vardoyan

A surrogate function is often employed to reduce the number of objective function evaluations for optimization. However, the effect of using a surrogate model in evolutionary approaches has not been theoretically investigated. This paper…

Neural and Evolutionary Computing · Computer Science 2022-04-07 Youhei Akimoto

Surrogate endpoints play an important role in drug development when they can be used to measure treatment effect early compared to the final clinical outcome and to predict clinical benefit or harm. Such endpoints are assessed for their…

Effective representation learning is the key in improving model performance for medical image analysis. In training deep learning models, a compromise often must be made between performance and trust, both of which are essential for medical…

Machine Learning · Computer Science 2021-12-17 Siyuan He , Pengcheng Xi , Ashkan Ebadi , Stephane Tremblay , Alexander Wong

Model merging techniques aim to integrate the abilities of multiple models into a single model. Most model merging techniques have hyperparameters, and their setting affects the performance of the merged model. Because several existing…

Machine Learning · Computer Science 2025-09-03 Rio Akizuki , Yuya Kudo , Nozomu Yoshinari , Yoichi Hirose , Toshiyuki Nishimoto , Kento Uchida , Shinichi Shirakawa

This study presents a fully automated methodology for early prediction studies in clinical settings, leveraging information extracted from unstructured discharge reports. The proposed pipeline uses discharge reports to support the three…

The central task in modeling complex dynamical systems is parameter estimation. This task involves numerous evaluations of a computationally expensive objective function. Surrogate-based optimization introduces a computationally efficient…

Machine Learning · Computer Science 2019-12-19 Žiga Lukšič , Jovan Tanevski , Sašo Džeroski , Ljupčo Todorovski

Addressing real-world optimization challenges requires not only advanced metaheuristics but also continuous refinement of their internal mechanisms. This paper explores the integration of machine learning in the form of neural surrogate…

Neural and Evolutionary Computing · Computer Science 2026-03-31 Tomohiro Harada , Enrique Alba , Gabriel Luque

The selection of algorithms is a crucial step in designing AI services for real-world time series classification use cases. Traditional methods such as neural architecture search, automated machine learning, combined algorithm selection,…

Machine Learning · Computer Science 2024-10-02 Lars Böcking , Leopold Müller , Niklas Kühl

Surrogate-assisted evolutionary algorithms (SAEAs) hold significant importance in resolving expensive optimization problems~(EOPs). Extensive efforts have been devoted to improving the efficacy of SAEAs through the development of proficient…

Neural and Evolutionary Computing · Computer Science 2023-10-10 Hao Hao , Xiaoqun Zhang , Aimin Zhou

Adaptive experimental designs have gained increasing attention across a range of domains. In this paper, we propose a new methodological framework, surrogate-leveraged online adaptive causal inference (SLOACI), which integrates predictive…

Methodology · Statistics 2025-12-09 Yingying Fan , Zihan Wang , Waverly Wei

In climate systems, physiological models, optics, and many more, surrogate models are developed to reconstruct chaotic dynamical systems. We introduce four data-driven measures using global attractor properties to evaluate the quality of…

Computational Physics · Physics 2025-06-12 Luci Fumagalli , Kathy Lüdge , Jana de Wiljes , Heikki Haario , Lina Jaurigue

The field of health informatics has been profoundly influenced by the development of random forest models, which have led to significant advances in the interpretability of feature interactions. These models are characterized by their…

Machine Learning · Computer Science 2025-06-04 Akshat Dubey , Aleksandar Anžel , Georges Hattab