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Solving complex problems requires continuous effort in developing theory and practice to cope with larger, more difficult scenarios. Working with surrogates is normal for creating a proxy that realistically models the problem into the…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Tomohiro Harada , Enrique Alba , Gabriel Luque

Quantum Approximate Optimization Algorithm (QAOA) is one of the most promising candidates to achieve the quantum advantage in solving combinatorial optimization problems. The process of finding a good set of variational parameters in the…

Quantum Physics · Physics 2025-07-18 Kien X. Nguyen , Bao Bach , Ilya Safro

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick

Expensive multi-objective optimization problems (EMOPs) are common in real-world scenarios where evaluating objective functions is costly and involves extensive computations or physical experiments. Current Pareto set learning methods for…

Machine Learning · Computer Science 2025-03-18 Minh-Duc Nguyen , Phuong Mai Dinh , Quang-Huy Nguyen , Long P. Hoang , Dung D. Le

In many applications, ranging from logistics to engineering, a designer is faced with a sequence of optimization tasks for which the objectives are in the form of black-box functions that are costly to evaluate. Furthermore, higher-fidelity…

Machine Learning · Computer Science 2025-01-09 Yunchuan Zhang , Sangwoo Park , Osvaldo Simeone

The goal of this paper is to make Optimal Experimental Design (OED) computationally feasible for problems involving significant computational expense. We focus exclusively on the Mean Objective Cost of Uncertainty (MOCU), which is a…

Optimization and Control · Mathematics 2020-12-09 Anthony M. DeGennaro , Francis J. Alexander

Surrogate models are frequently employed as efficient substitutes for the costly execution of real-world processes. However, constructing a high-quality surrogate model often demands extensive data acquisition. A solution to this issue is…

Machine Learning · Computer Science 2025-05-05 Shuaiqun Pan , Diederick Vermetten , Manuel López-Ibáñez , Thomas Bäck , Hao Wang

Bilevel optimization poses a significant computational challenge due to its nested structure, where each upper-level candidate solution requires solving a corresponding lower-level problem. While evolutionary algorithms (EAs) are effective…

Neural and Evolutionary Computing · Computer Science 2025-06-10 Dejun Xu , Jijia Chen , Gary G. Yen , Min Jiang

High-Performance Computing (HPC) schedulers must balance user performance with facility-wide resource constraints. The task boils down to selecting the optimal number of nodes for a given job. We present a surrogate-assisted multi-objective…

Machine Learning · Computer Science 2026-01-23 Ashna Nawar Ahmed , Banooqa Banday , Terry Jones , Tanzima Z. Islam

Data-driven evolutionary optimization has witnessed great success in solving complex real-world optimization problems. However, existing data-driven optimization algorithms require that all data are centrally stored, which is not always…

Neural and Evolutionary Computing · Computer Science 2021-02-17 Jinjin Xu , Yaochu Jin , Wenli Du , Sai Gu

Bayesian optimization is a powerful paradigm to optimize black-box functions based on scarce and noisy data. Its data efficiency can be further improved by transfer learning from related tasks. While recent transfer models meta-learn a…

Evolutionary algorithms (EAs) have been well acknowledged as a promising paradigm for solving optimisation problems with multiple conflicting objectives in the sense that they are able to locate a set of diverse approximations of Pareto…

Neural and Evolutionary Computing · Computer Science 2016-06-17 Jianyong Sun , Hu Zhang , Aimin Zhou , Qingfu Zhang

The Area Under the Curve (AUC) is an important performance metric for classification tasks, particularly in class-imbalanced scenarios. However, minimizing the AUC presents significant challenges due to the non-convex and discontinuous…

Machine Learning · Computer Science 2025-10-27 JunRu Luo , Difei Cheng , Bo Zhang

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…

Developing dataset-specific models involves iterative fine-tuning and optimization, incurring significant costs over time. This study investigates the transferability of state-of-the-art (SOTA) models trained on established datasets to an…

Computation and Language · Computer Science 2025-08-25 Sridevi Bonthu , S. Rama Sree , M. H. M. Krishna Prasad

A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs,…

Machine Learning · Computer Science 2024-06-28 Alejandro Ribés , Nawfal Benchekroun , Théo Delagnes

We introduce a novel approach for end-to-end black-box optimization of high energy physics (HEP) detectors using local deep learning (DL) surrogates. These surrogates approximate a scalar objective function that encapsulates the complex…

Machine Learning · Computer Science 2025-03-19 Kinga Anna Wozniak , Stephen Mulligan , Jan Kieseler , Markus Klute , Francois Fleuret , Tobias Golling

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

Operator-based neural network architectures such as DeepONets have emerged as a promising tool for the surrogate modeling of physical systems. In general, towards operator surrogate modeling, the training data is generated by solving the…

Machine Learning · Computer Science 2024-02-28 Shivam Choubey , Birupaksha Pal , Manish Agrawal

Many global optimization algorithms of the memetic variety rely on some form of stochastic search, and yet they often lack a sound probabilistic basis. Without a recourse to the powerful tools of stochastic calculus, treading the fine…

Optimization and Control · Mathematics 2024-12-17 Rajdeep Dutta , T Venkatesh Varma , Saikat Sarkar , Mariya Mamajiwala , Noor Awad , Senthilnath Jayavelu , Debasish Roy