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A critical bottleneck for scientific progress is the costly nature of computer simulations for complex systems. Surrogate models provide an appealing solution: such models are trained on simulator evaluations, then used to emulate and…

Machine Learning · Statistics 2025-07-14 Xinming Wang , Simon Mak , John Miller , Jianguo Wu

We investigate the effectiveness of a simple solution to the common problem of deep learning in medical image analysis with limited quantities of labeled training data. The underlying idea is to assign artificial labels to abundantly…

Computer Vision and Pattern Recognition · Computer Science 2019-01-28 Nima Tajbakhsh , Yufei Hu , Junli Cao , Xingjian Yan , Yi Xiao , Yong Lu , Jianming Liang , Demetri Terzopoulos , Xiaowei Ding

Signal Temporal Logic (STL) is an efficient technique for describing temporal constraints. It can play a significant role in robotic manipulation, for example, to optimize the robot performance according to task-dependent metrics. In this…

Robotics · Computer Science 2021-10-04 Akshay Dhonthi , Philipp Schillinger , Leonel Rozo , Daniele Nardi

In engineering design and scientific computing, computational cost and predictive accuracy are intrinsically coupled. High-fidelity simulations provide accurate predictions but at substantial computational costs, while lower-fidelity…

Machine Learning · Computer Science 2026-05-11 Ahmed Mohamed Eisa Nasr , Ali Elham , Haris Moazam Sheikh

The choice of loss function in classification involves a fundamental trade-off: smooth losses (like Cross-Entropy) enable fast optimization rates but yield slow square-root consistency bounds, while piecewise-linear losses (like Hinge)…

Machine Learning · Computer Science 2026-05-01 Mehryar Mohri , Yutao Zhong

We address the critical challenge of applying feature attribution methods to the transformer architecture, which dominates current applications in natural language processing and beyond. Traditional attribution methods to explainable AI…

Machine Learning · Computer Science 2025-01-10 Tobias Leemann , Alina Fastowski , Felix Pfeiffer , Gjergji Kasneci

This study demonstrates the feasibility of developing machine learning (ML) surrogates based on Recurrent Neural Networks (RNN) for predicting the unsteady aeroelastic response of transonic pitching and plunging wing-fuel tank sloshing…

Computational Engineering, Finance, and Science · Computer Science 2019-11-25 Shashank Srivastava , Murali Damodaran , Boo Cheong Khoo

The Worldwide LHC Computing Grid (WLCG) provides the robust computing infrastructure essential for the LHC experiments by integrating global computing resources into a cohesive entity. Simulations of different compute models present a…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-14 Larissa Schmid , Maximilian Horzela , Valerii Zhyla , Manuel Giffels , Günter Quast , Anne Koziolek

Surrogate models are used to alleviate the computational burden in engineering tasks, which require the repeated evaluation of computationally demanding models of physical systems, such as the efficient propagation of uncertainties. For…

Machine Learning · Statistics 2022-09-28 Felix Schneider , Iason Papaioannou , Gerhard Müller

This study presents an integrated computational framework that, given synthesis parameters, predicts the resulting microstructural morphology and mechanical response of ceramic aerogel porous materials by combining physics-based simulations…

Computational Engineering, Finance, and Science · Computer Science 2025-06-10 Md Azharul Islam , Dwyer Deighan , Shayan Bhattacharjee , Daniel Tantalo , Pratyush Kumar Singh , David Salac , Danial Faghihi

Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular dynamics (MD) simulations, which we use to identify and characterize the major…

Biomolecules · Quantitative Biology 2022-05-09 Christopher Kolloff , Simon Olsson

Determining the proper level of details to develop and solve physical models is usually difficult when one encounters new engineering problems. Such difficulty comes from how to balance the time (simulation cost) and accuracy for the…

Artificial Intelligence · Computer Science 2022-02-03 Randi Wang , Morad Behandish

Large Language Models (LLMs) are increasingly deployed in multi-turn dialogue settings where preserving conversational context across turns is essential. A standard serving practice concatenates the full dialogue history at every turn,…

Computation and Language · Computer Science 2026-05-13 Xueqi Cheng , Qiong Wu , Zhengyi Zhou , Xugui Zhou , Tyler Derr , Yushun Dong

Cardiovascular modeling has rapidly advanced over the past few decades due to the rising needs for health tracking and early detection of cardiovascular diseases. While 1-D arterial models offer an attractive compromise between…

Numerical solutions of partial differential equations (PDEs) require expensive simulations, limiting their application in design optimization, model-based control, and large-scale inverse problems. Surrogate modeling techniques seek to…

Computational Physics · Physics 2022-05-18 James Duvall , Karthik Duraisamy , Shaowu Pan

We present a taxonomy of research on Machine Learning (ML) applied to enhance simulations together with a catalog of some activities. We cover eight patterns for the link of ML to the simulations or systems plus three algorithmic areas:…

Machine Learning · Computer Science 2019-10-15 Geoffrey Fox , Shantenu Jha

Latent structure models are a powerful tool for modeling language data: they can mitigate the error propagation and annotation bottleneck in pipeline systems, while simultaneously uncovering linguistic insights about the data. One challenge…

Computation and Language · Computer Science 2020-10-07 Tsvetomila Mihaylova , Vlad Niculae , André F. T. Martins

Surrogate-assisted search-based testing (SA-SBT) aims to reduce the computational time for testing compute-intensive systems. Surrogates enhance testing techniques by improving test case generation focusing the testing budget on the most…

Software Engineering · Computer Science 2023-05-02 Shiva Nejati , Lev Sorokin , Damir Safin , Federico Formica , Mohammad Mahdi Mahboob , Claudio Menghi

Sound source localization (SSL) adds a spatial dimension to auditory perception, allowing a system to pinpoint the origin of speech, machinery noise, warning tones, or other acoustic events, capabilities that facilitate robot navigation,…

Robotics · Computer Science 2025-08-29 Reza Jalayer , Masoud Jalayer , Amirali Baniasadi

Spoken Language Models (SLMs) are increasingly central to modern speech-driven applications, but performance degrades under acoustic shift - real-world noise, reverberation, and microphone variation. Prior solutions rely on offline domain…