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The iterative diagonalization of a sequence of large ill-conditioned generalized eigenvalue problems is a computational bottleneck in quantum mechanical methods employing a nonorthogonal basis for {\em ab initio} electronic structure…

Materials Science · Physics 2013-08-13 Yunfeng Cai , Zhaojun Bai , John E. Pask , N. Sukumar

Parametric partial differential equations (PDEs) serve as fundamental mathematical tools for modeling complex physical phenomena, yet repeated high-fidelity numerical simulations across parameter spaces remain computationally prohibitive.…

Machine Learning · Statistics 2026-04-08 Pucheng Tang , Hongqiao Wang , Wenzhou Lin , Qian Chen , Heng Yong

This paper deals with the identification of linear stochastic dynamical systems, where the unknowns include system coefficients and noise variances. Conventional approaches that rely on the maximum likelihood estimation (MLE) require…

Machine Learning · Statistics 2025-08-18 Jinwen Xu , Qin Lu , Yaakov Bar-Shalom

Simulation-based optimization is a useful method for practical design problems. However, it is difficult for complicated problems due to expensive-computational costs. A popular way to overcome this issue is to use a surrogate model to save…

Signal Processing · Electrical Eng. & Systems 2019-12-11 Yu Li , Hu Wang , Ziming Wen , Xin Wang

Efficient Global Optimization (EGO) is widely used for the optimization of computationally expensive black-box functions. It uses a surrogate modeling technique based on Gaussian Processes (Kriging). However, due to the use of a stationary…

Optimization and Control · Mathematics 2018-09-14 Ali Hebbal , Loic Brevault , Mathieu Balesdent , El-Ghazali Talbi , Nouredine Melab

This work aims at developing new methodologies to optimize computational costly complex systems (e.g., aeronautical engineering systems). The proposed surrogate-based method (often called Bayesian optimization) uses adaptive sampling to…

In this paper, we consider a pressure-velocity formulation of the heterogeneous wave equation and employ the constraint energy minimizing generalized multiscale finite element method (CEM-GMsFEM) to solve this problem. The proposed method…

Numerical Analysis · Mathematics 2020-10-06 Eric Chung , Sai-Mang Pun

A global optimization framework, acronymed COMBEO (Change OfMeasure Based Evolutionary Optimization), is proposed. An important aspect in the development is a set of derivative-free additive directional terms obtainable through a change of…

Methodology · Statistics 2014-11-10 Saikat Sarkar , Debasish Roy

Preliminary trajectory design is a global search problem that seeks multiple qualitatively different solutions to a trajectory optimization problem. Due to its high dimensionality and non-convexity, and the frequent adjustment of problem…

Machine Learning · Computer Science 2023-08-09 Anjian Li , Amlan Sinha , Ryne Beeson

To solve large-scale or high-resolution topology optimization problem, a novel algorithm is developed based on modified bi-directional evolutionary structure optimization (BESO) and extended finite element method (XFEM). Within XFEM, a set…

Applied Physics · Physics 2026-04-07 Hongxin Wang , Jie Liu , Guilin Wen

In a task where many similar inverse problems must be solved, evaluating costly simulations is impractical. Therefore, replacing the model $y$ with a surrogate model $y_s$ that can be evaluated quickly leads to a significant speedup. The…

Numerical Analysis · Mathematics 2024-05-15 Phillip Semler , Martin Weiser

In modern generative-AI workloads, matrix-vector/matrix-matrix multiplications (\emph{MatMul}) dominate the compute and energy cost. Achieving dramatic reductions in energy per token therefore requires a novel, specialized hardware that is…

Other Condensed Matter · Physics 2026-03-11 Denis Mamaluy , Md Rahatul Islam Udoy , Juan P. Mendez , Ben Feinberg , Wei Pan , Ahmedullah Aziz

In this work, we propose a heuristic based open source solver for finding global solution to constrained derivative-free optimization (DFO) problems. Our solver named Global optimization using Surrogates for Derivative-free Optimization…

Optimization and Control · Mathematics 2024-04-30 Gannavarapu Chandramouli , Vishnu Narayanan

This paper studies the maximization of the weighted sum energy efficiency (WSEE). We derive a first-order optimal algorithm applicable to a wide class of communication scenarios exhibiting very fast convergence. We also discuss how to…

Information Theory · Computer Science 2018-12-19 Bho Matthiesen , Yang Yang , Eduard A. Jorswieck

One of the possible ways to face the challenge of reducing the environmental impact of aviation, without limiting the growth of air transport, is the introduction of more efficient, radically different aircraft architectures. Among these,…

Systems and Control · Electrical Eng. & Systems 2021-07-21 Vittorio Cipolla , Vincenzo Binante , Karim Abu Salem , Giuseppe Palaia , Davide Zanetti

Solving complex real problems often demands advanced algorithms, and then continuous improvements in the internal operations of a search technique are needed. Hybrid algorithms, parallel techniques, theoretical advances, and much more are…

Neural and Evolutionary Computing · Computer Science 2025-08-12 Tomohiro Harada , Enrique Alba , Gabriel Luque

Generative engines (GEs) are reshaping information access by replacing ranked links with citation-grounded answers, yet current Generative Engine Optimization (GEO) methods optimize each instance in isolation, unable to accumulate or…

Artificial Intelligence · Computer Science 2026-04-22 Beining Wu , Fuyou Mao , Jiong Lin , Cheng Yang , Jiaxuan Lu , Yifu Guo , Siyu Zhang , Yifan Wu , Ying Huang , Fu Li

We propose GNN-Surrogate, a graph neural network-based surrogate model to explore the parameter space of ocean climate simulations. Parameter space exploration is important for domain scientists to understand the influence of input…

Atmospheric and Oceanic Physics · Physics 2022-02-23 Neng Shi , Jiayi Xu , Skylar W. Wurster , Hanqi Guo , Jonathan Woodring , Luke P. Van Roekel , Han-Wei Shen

In engineering design, surrogate models are widely employed to replace computationally expensive simulations by leveraging design variables and geometric parameters from computer-aided design (CAD) models. However, these models often lose…

Machine Learning · Computer Science 2024-06-05 Jangseop Park , Namwoo Kang

A systematic approach based on the principles of supervised learning and design of experiments concepts is introduced to build a surrogate model for estimating the optical properties of fractal aggregates. The surrogate model is built on…