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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

In many randomized trials, outcomes such as essays or open-ended responses must be manually scored as a preliminary step to impact analysis, a process that is costly and limiting. Model-assisted estimation offers a way to combine surrogate…

Methodology · Statistics 2026-02-16 Reagan Mozer , Nicole E. Pashley , Luke Miratrix

An explainable AI (XAI) model aims to provide transparency (in the form of justification, explanation, etc) for its predictions or actions made by it. Recently, there has been a lot of focus on building XAI models, especially to provide…

Human-Computer Interaction · Computer Science 2022-01-11 Arjun Akula , Song-Chun Zhu

The optimization of large-scale multibody systems is a numerically challenging task, in particular when considering multiple conflicting criteria at the same time. In this situation, we need to approximate the Pareto set of optimal…

Optimization and Control · Mathematics 2024-12-20 Augustina C. Amakor , Manuel B. Berkemeier , Meike Wohlleben , Walter Sextro , Sebastian Peitz

In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

Explainability plays a crucial role in providing a more comprehensive understanding of deep learning models' behaviour. This allows for thorough validation of the model's performance, ensuring that its decisions are based on relevant visual…

Machine Learning · Computer Science 2023-06-16 E. Zhixuan Zeng , Hayden Gunraj , Sheldon Fernandez , Alexander Wong

Modern AI systems frequently rely on opaque black-box models, most notably Deep Neural Networks, whose performance stems from complex architectures with millions of learned parameters. While powerful, their complexity poses a major…

Machine Learning · Computer Science 2026-02-23 David Dembinsky , Adriano Lucieri , Stanislav Frolov , Hiba Najjar , Ko Watanabe , Andreas Dengel

Explainable Artificial Intelligence (AI) methods are designed to provide information about how AI-based models make predictions. In healthcare, there is a widespread expectation that these methods will provide relevant and accurate…

With the ever-growing achievements in Artificial Intelligence (AI) and the recent boosted enthusiasm in Financial Technology (FinTech), applications such as credit scoring have gained substantial academic interest. Credit scoring helps…

Risk Management · Quantitative Finance 2020-12-08 Lara Marie Demajo , Vince Vella , Alexiei Dingli

Explainable Artificial Intelligence (XAI) fills the role of a critical interface fostering interactions between sophisticated intelligent systems and diverse individuals, including data scientists, domain experts, end-users, and more. It…

Stochastic inverse problems are generally solved by some form of finite sampling of a space of uncertain parameters. For computationally expensive models, surrogate response surfaces are often employed to increase the number of samples used…

Numerical Analysis · Mathematics 2018-07-04 Steven Mattis , Barbara Wohlmuth

Explainability and interpretability of AI models is an essential factor affecting the safety of AI. While various explainable AI (XAI) approaches aim at mitigating the lack of transparency in deep networks, the evidence of the effectiveness…

Artificial Intelligence · Computer Science 2020-03-03 Kamran Alipour , Jurgen P. Schulze , Yi Yao , Avi Ziskind , Giedrius Burachas

Uncertainty is a key feature of any machine learning model and is particularly important in neural networks, which tend to be overconfident. This overconfidence is worrying under distribution shifts, where the model performance silently…

Machine Learning · Computer Science 2024-03-18 Arthur Thuy , Dries F. Benoit

The computational cost associated with high-fidelity CFD simulations remains a significant bottleneck in the automotive design and optimization cycle. While ML-based surrogate models have emerged as a promising alternative to accelerate…

Machine Learning · Computer Science 2025-09-01 Mohammad Amin Nabian , Sanjay Choudhry

We address the problem of training models with black-box and hard-to-optimize metrics by expressing the metric as a monotonic function of a small number of easy-to-optimize surrogates. We pose the training problem as an optimization over a…

Machine Learning · Computer Science 2020-02-21 Qijia Jiang , Olaoluwa Adigun , Harikrishna Narasimhan , Mahdi Milani Fard , Maya Gupta

The emergence of latency-critical AI applications has been supported by the evolution of the edge computing paradigm. However, edge solutions are typically resource-constrained, posing reliability challenges due to heightened contention for…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-05 Shreshth Tuli , Giuliano Casale , Ludmila Cherkasova , Nicholas R. Jennings

This paper proposes a technique for training a neural network by minimizing a surrogate loss that approximates the target evaluation metric, which may be non-differentiable. The surrogate is learned via a deep embedding where the Euclidean…

Computer Vision and Pattern Recognition · Computer Science 2020-07-20 Yash Patel , Tomas Hodan , Jiri Matas

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

A longstanding challenge surrounding deep learning algorithms is unpacking and understanding how they make their decisions. Explainable Artificial Intelligence (XAI) offers methods to provide explanations of internal functions of algorithms…

Artificial Intelligence · Computer Science 2022-08-16 Amin Nayebi , Sindhu Tipirneni , Brandon Foreman , Chandan K. Reddy , Vignesh Subbian

For computational efficiency, surrogate models have been used to emulate mathematical simulators for physical or biological processes. High-speed simulation is crucial for conducting uncertainty quantification (UQ) when the simulation is…

Machine Learning · Computer Science 2022-11-21 Lixiang Zhang , Jia Li