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Data-driven emulators are increasingly being used to learn and emulate physics-based simulations, reducing computational expense and run time. Here, we present a structured way to improve the quality of these high-dimensional emulated…

Machine Learning · Computer Science 2025-04-25 Nawid Keshtmand , Elena Fillola , Jeffrey Nicholas Clark , Raul Santos-Rodriguez , Matthew Rigby

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Machine Learning · Computer Science 2022-11-28 Hatem Helal , Jesun Firoz , Jenna Bilbrey , Mario Michael Krell , Tom Murray , Ang Li , Sotiris Xantheas , Sutanay Choudhury

Efficient and robust 3D scene representation is crucial in autonomous driving, robotics, and related fields. While RGB images provide valuable content for 3D reconstruction, other modalities like thermal or depth can enable additional…

Computer Vision and Pattern Recognition · Computer Science 2026-05-29 Manoj Biswanath , Chenxin Cai , Hannah Schieber , Daniel Roth , Benjamin Busam

We apply a temporal edge prediction model for weighted dynamic graphs to predict time-dependent changes in molecular structure. Each molecule is represented as a complete graph in which each atom is a vertex and all vertex pairs are…

Machine Learning · Computer Science 2021-06-28 Michael Hunter Ashby , Jenna A. Bilbrey

Graphs are a commonly used construct for representing relationships between elements in complex high dimensional datasets. Many real-world phenomenon are dynamic in nature, meaning that any graph used to represent them is inherently…

Social and Information Networks · Computer Science 2018-11-21 Stephen Bonner , John Brennan , Ibad Kureshi , Georgios Theodoropoulos , Andrew Stephen McGough , Boguslaw Obara

Temporal Graph Neural Networks (TGNNs) have emerged as powerful tools for modeling dynamic interactions across various domains. The design space of TGNNs is notably complex, given the unique challenges in runtime efficiency and scalability…

Machine Learning · Computer Science 2024-12-31 Yuxin Yang , Hongkuan Zhou , Rajgopal Kannan , Viktor Prasanna

We are concerned with the simulation and optimization of large-scale gas pipeline systems in an error-controlled environment. The gas flow dynamics is locally approximated by sufficiently accurate physical models taken from a hierarchy of…

Optimization and Control · Mathematics 2021-11-10 Pia Domschke , Oliver Kolb , Jens Lang

Clock meshes are essential in high-performance VLSI systems for minimizing skew and handling PVT variations, but analyzing them is difficult due to reconvergent paths, multi-source driving, and input mesh buffer skew. SPICE simulations are…

Hardware Architecture · Computer Science 2025-07-09 Muhammad Hadir Khan , Matthew Guthaus

This paper extends the finite element network analysis (FENA) to include a dynamic time-transient formulation. FENA was initially formulated in the context of the linear static analysis of 1D and 2D elastic structures. By introducing the…

Computational Engineering, Finance, and Science · Computer Science 2024-07-04 Mehdi Jokar , Siddharth Nair , Fabio Semperlotti

Powder-based additive manufacturing has transformed the manufacturing industry over the last decade. In Laser Powder Bed Fusion, a specific part is built in an iterative manner in which two-dimensional cross-sections are formed on top of…

Machine Learning · Computer Science 2024-11-21 AmirPouya Hemmasian , Francis Ogoke , Parand Akbari , Jonathan Malen , Jack Beuth , Amir Barati Farimani

Fluid simulation is an important research topic in computer graphics (CG) and animation in video games. Traditional methods based on Navier-Stokes equations are computationally expensive. In this paper, we treat fluid motion as point cloud…

Computer Vision and Pattern Recognition · Computer Science 2025-01-07 Yu Chen , Shuai Zheng , Nianyi Wang , Menglong Jin , Yan Chang

This paper addresses the limitations of multi-node perception and delayed scheduling response in distributed systems by proposing a GNN-based multi-node collaborative perception mechanism. The system is modeled as a graph structure.…

Machine Learning · Computer Science 2025-05-23 Wenxuan Zhu , Qiyuan Wu , Tengda Tang , Renzi Meng , Sheng Chai , Xuehui Quan

This paper presents the building heating demand prediction model with occupancy profile and operational heating power level characteristics in short time horizon (a couple of days) using artificial neural network. In addition, novel pseudo…

Computational Engineering, Finance, and Science · Computer Science 2014-11-19 S. Paudel , M. Elmtiri , W. L. Kling , O. Le Corre , B. Lacarriere

Accurate and efficient temperature prediction is critical for optimizing the preheating process of PET preforms in industrial microwave systems prior to blow molding. We propose a novel deep learning framework for generalized temperature…

Machine Learning · Computer Science 2025-10-08 Ahmad Alsheikh , Andreas Fischer

Computational experiments are exploited in finding a well-designed processing path to optimize material structures for desired properties. This requires understanding the interplay between the processing-(micro)structure-property linkages…

Computational Engineering, Finance, and Science · Computer Science 2023-05-04 Junrong Lin , Mahmudul Hasan , Pinar Acar , Jose Blanchet , Vahid Tarokh

A promising approach to improve climate-model simulations is to replace traditional subgrid parameterizations based on simplified physical models by machine learning algorithms that are data-driven. However, neural networks (NNs) often lead…

Atmospheric and Oceanic Physics · Physics 2021-04-07 Janni Yuval , Paul A. O'Gorman , Chris N. Hill

Rapid advancements in machine learning (ML) are transforming materials science by significantly speeding up material property calculations. However, the proliferation of ML approaches has made it challenging for scientists to keep up with…

Machine Learning · Computer Science 2024-07-12 Ali Ramlaoui , Théo Saulus , Basile Terver , Victor Schmidt , David Rolnick , Fragkiskos D. Malliaros , Alexandre Duval

This manuscript proposes an optimization framework to find the tailor-made functionally graded material (FGM) profiles for thermoelastic applications. This optimization framework consists of (1) a random profile generation scheme, (2) deep…

Computational Engineering, Finance, and Science · Computer Science 2024-08-27 Piyush Agrawal , Ihina Mahajan , Shivam Choubey , Manish Agrawal

Electro-thermally actuated origami provides a novel method for creating 3-D systems with advanced morphing and functional capabilities. However, it is currently difficult to simulate the multi-physical behavior of such systems because the…

Robotics · Computer Science 2022-04-14 Yi Zhu , Evgueni T. Filipov

Simulating complex dynamics like fluids with traditional simulators is computationally challenging. Deep learning models have been proposed as an efficient alternative, extending or replacing parts of traditional simulators. We investigate…

Machine Learning · Computer Science 2022-03-16 Jonathan Klimesch , Philipp Holl , Nils Thuerey