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In this paper we introduce JuliaSim, a high-performance programming environment designed to blend traditional modeling and simulation with machine learning. JuliaSim can build accelerated surrogates from component-based models, such as…

Computational Engineering, Finance, and Science · Computer Science 2021-05-14 Chris Rackauckas , Ranjan Anantharaman , Alan Edelman , Shashi Gowda , Maja Gwozdz , Anand Jain , Chris Laughman , Yingbo Ma , Francesco Martinuzzi , Avik Pal , Utkarsh Rajput , Elliot Saba , Viral B. Shah

Designing a high-quality plasma injector electron source driven by a laser beam relies on numerical parametric studies using particle-in-cell codes. The common input parameters to explore are laser characteristics, plasma species and…

Building a surrogate model of an objective function has shown to be effective to assist evolutionary algorithms (EAs) to solve real-world complex optimisation problems which involve either computationally expensive numerical simulations or…

Neural and Evolutionary Computing · Computer Science 2020-02-11 Xiaoran Ruan , Ke Li , Bilel Derbel , Arnaud Liefooghe

In this work we explore surrogate models to optimize plasma enhanced atomic layer deposition (PEALD) in high aspect ratio features. In plasma-based processes such as PEALD and atomic layer etching, surface recombination can dominate the…

Materials Science · Physics 2025-06-12 Angel Yanguas-Gil , Jeffrey W. Elam

This paper presents SimMIM, a simple framework for masked image modeling. We simplify recently proposed related approaches without special designs such as block-wise masking and tokenization via discrete VAE or clustering. To study what let…

Computer Vision and Pattern Recognition · Computer Science 2022-04-19 Zhenda Xie , Zheng Zhang , Yue Cao , Yutong Lin , Jianmin Bao , Zhuliang Yao , Qi Dai , Han Hu

In recent years, the number of new applications for highly complex AI systems has risen significantly. Algorithmic decision-making systems (ADMs) are one of such applications, where an AI system replaces the decision-making process of a…

Artificial Intelligence · Computer Science 2024-06-25 Alexander Wilhelm , Katharina A. Zweig

Gradient-based optimization of engineering designs is limited by non-differentiable components in the typical computer-aided engineering (CAE) workflow, which calculates performance metrics from design parameters. While gradient-based…

Computational Engineering, Finance, and Science · Computer Science 2025-11-17 Andrin Rehmann , Nolan Black , Josiah Bjorgaard , Alessandro Angioi , Andrei Paleyes , Niklas Heim , Dion Häfner , Alexander Lavin

It has been observed that deep neural networks (DNNs) often use both genuine as well as spurious features. In this work, we propose "Amending Inherent Interpretability via Self-Supervised Masking" (AIM), a simple yet interestingly effective…

Computer Vision and Pattern Recognition · Computer Science 2025-08-18 Eyad Alshami , Shashank Agnihotri , Bernt Schiele , Margret Keuper

Explainable AI is a crucial component for edge services, as it ensures reliable decision making based on complex AI models. Surrogate models are a prominent approach of XAI where human-interpretable models, such as a linear regression…

Machine Learning · Computer Science 2025-03-12 Foivos Charalampakos , Thomas Tsouparopoulos , Iordanis Koutsopoulos

By remarkably reducing real fitness evaluations, surrogate-assisted evolutionary algorithms (SAEAs), especially hierarchical SAEAs, have been shown to be effective in solving computationally expensive optimization problems. The success of…

Neural and Evolutionary Computing · Computer Science 2021-03-02 Xiaodong Ren , Daofu Guo , Zhigang Ren , Yongsheng Liang , An Chen

Surrogate modeling has brought about a revolution in computation in the branches of science and engineering. Backed by Artificial Intelligence, a surrogate model can present highly accurate results with a significant reduction in…

Artificial Intelligence · Computer Science 2022-10-17 Abid Hossain Khan , Salauddin Omar , Nadia Mushtary , Richa Verma , Dinesh Kumar , Syed Alam

Artificial intelligence is transforming scientific computing with deep neural network surrogates that approximate solutions to partial differential equations (PDEs). Traditional off-line training methods face issues with storage and I/O…

Machine Learning · Computer Science 2024-10-10 Sofya Dymchenko , Abhishek Purandare , Bruno Raffin

Statistical shape modeling (SSM) characterizes anatomical variations in a population of shapes generated from medical images. SSM requires consistent shape representation across samples in shape cohort. Establishing this representation…

Computer Vision and Pattern Recognition · Computer Science 2022-03-17 Riddhish Bhalodia , Shireen Elhabian , Jadie Adams , Wenzheng Tao , Ladislav Kavan , Ross Whitaker

Recent breakthroughs in artificial intelligence (AI) are reshaping the way we construct computational counterparts of the brain, giving rise to a new class of ``surrogate brains''. In contrast to conventional hypothesis-driven biophysical…

Neurons and Cognition · Quantitative Biology 2025-10-14 Yinuo Zhang , Demao Liu , Zhichao Liang , Jiani Cheng , Kexin Lou , Jinqiao Duan , Ting Gao , Bin Hu , Quanying Liu

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

Complex systems are increasingly explored through simulation-driven engineering workflows that combine physics-based and empirical models with optimization and analytics. Despite their power, these workflows face two central obstacles: (1)…

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

Semantic segmentation of microscopy images is a critical task for high-throughput materials characterisation, yet its automation is severely constrained by the prohibitive cost, subjectivity, and scarcity of expert-annotated data. While…

Computer Vision and Pattern Recognition · Computer Science 2026-02-03 Salma Zahran , Zhou Ao , Zhengyang Zhang , Chen Chi , Chenchen Yuan , Yanming Wang

Modern neural architecture search (NAS) is inherently multi-objective, balancing trade-offs such as accuracy, parameter count, and computational cost. This complexity makes NAS computationally expensive and nearly impossible to solve…

Machine Learning · Computer Science 2025-06-04 Yuyang Zhou , Ferrante Neri , Yew-Soon Ong , Ruibin Bai

SRAM-based Analog Compute-in-Memory (ACiM) demonstrates promising energy efficiency for deep neural network (DNN) processing. Nevertheless, efforts to optimize efficiency frequently compromise accuracy, and this trade-off remains…

Hardware Architecture · Computer Science 2025-09-03 Wenlun Zhang , Shimpei Ando , Yung-Chin Chen , Kentaro Yoshioka