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Deep learning surrogate models are being increasingly used in accelerating scientific simulations as a replacement for costly conventional numerical techniques. However, their use remains a significant challenge when dealing with real-world…

机器学习 · 计算机科学 2023-03-27 Saurabh Deshpande , Raúl I. Sosa , Stéphane P. A. Bordas , Jakub Lengiewicz

Machine Learning with deep neural networks has transformed computational approaches to scientific and engineering problems. Central to many of these advancements are precisely tuned neural architectures that are tailored to the domains in…

量子物理 · 物理学 2025-04-23 Mathias Weiden , Justin Kalloor , John Kubiatowicz , Costin Iancu

We consider the numerical approximation of the inertial Landau-Lifshitz-Gilbert equation (iLLG), which describes the dynamics of the magnetization in ferromagnetic materials at subpicosecond time scales. We propose and analyze two fully…

数值分析 · 数学 2021-10-07 Michele Ruggeri

The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…

材料科学 · 物理学 2025-11-14 Damien Pinto , Michael Greenwood , Nikolas Provatas

We study how to simulate, efficiently, pulse field gradients (PFG) used in nuclear magnetic resonance (NMR). An efficient simulation requires discretization in time and space. We study both discretizations and provide a guideline to choose…

量子物理 · 物理学 2020-06-19 John P. S. Peterson , Hemant Katiyar , Raymond Laflamme

Numerical simulation serves as a cornerstone in scientific modeling, yet the process of fine-tuning simulation parameters poses significant challenges. Conventionally, parameter adjustment relies on extensive numerical simulations, data…

图形学 · 计算机科学 2024-07-22 Guan Li , Yang Liu , Guihua Shan , Shiyu Cheng , Weiqun Cao , Junpeng Wang , Ko-Chih Wang

Neural operators, serving as physics surrogate models, have recently gained increased interest. With ever increasing problem complexity, the natural question arises: what is an efficient way to scale neural operators to larger and more…

We present MuMax, a general-purpose micromagnetic simulation tool running on Graphical Processing Units (GPUs). MuMax is designed for high performance computations and specifically targets large simulations. In that case speedups of over a…

计算物理 · 物理学 2015-05-27 Arne Vansteenkiste , Ben Van de Wiele

Registration is a fundamental task in medical image analysis which can be applied to several tasks including image segmentation, intra-operative tracking, multi-modal image alignment, and motion analysis. Popular registration tools such as…

计算机视觉与模式识别 · 计算机科学 2019-10-07 Wentao Zhu , Andriy Myronenko , Ziyue Xu , Wenqi Li , Holger Roth , Yufang Huang , Fausto Milletari , Daguang Xu

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…

计算工程、金融与科学 · 计算机科学 2023-05-04 Junrong Lin , Mahmudul Hasan , Pinar Acar , Jose Blanchet , Vahid Tarokh

Large-scale scientific simulations generate massive datasets, posing challenges for storage and I/O. Traditional lossy compression struggles to advance more in balancing compression ratio, data quality, and adaptability to diverse…

分布式、并行与集群计算 · 计算机科学 2025-04-21 Wenqi Jia , Zhewen Hu , Youyuan Liu , Boyuan Zhang , Jinzhen Wang , Jinyang Liu , Wei Niu , Stavros Kalafatis , Junzhou Huang , Sian Jin , Daoce Wang , Jiannan Tian , Miao Yin

Deep-learning inverse techniques have attracted significant attention in recent years. Among them, the neural adjoint (NA) method, which employs a neural network surrogate simulator, has demonstrated impressive performance in the design…

材料科学 · 物理学 2023-11-20 Akihiro Fujii , Hideki Tsunashima , Yoshihiro Fukuhara , Koji Shimizu , Satoshi Watanabe

Field-Programmable Gate Array (FPGA) accelerators have proven successful in handling latency- and resource-critical deep neural network (DNN) inference tasks. Among the most computationally intensive operations in a neural network (NN) is…

硬件体系结构 · 计算机科学 2024-12-10 Marta Andronic , George A. Constantinides

Electron spin qubits in quantum dot devices are promising for scalable quantum computing. However, architectural support is currently hindered by the lack of realistic and performant simulation methods for real devices. Physics-based tools…

介观与纳米尺度物理 · 物理学 2025-09-04 Shize Che , Junyu Zhou , Seong Woo Oh , Jonathan Hess , Noah Johnson , Mridul Pushp , Robert Spivey , Anthony Sigillito , Gushu Li

Many real-world physics and engineering problems arise in geometrically complex domains discretized by meshes for numerical simulations. The nodes of these potentially irregular meshes naturally form point clouds whose limited tractability…

机器学习 · 计算机科学 2025-06-17 Shirin Hosseinmardi , Ramin Bostanabad

Computer simulations are invaluable tools for scientific discovery. However, accurate simulations are often slow to execute, which limits their applicability to extensive parameter exploration, large-scale data analysis, and uncertainty…

Binary Neural Networks (BNNs) have garnered significant attention due to their immense potential for deployment on edge devices. However, the non-differentiability of the quantization function poses a challenge for the optimization of BNNs,…

机器学习 · 计算机科学 2024-12-17 Xinquan Chen , Junqi Gao , Biqing Qi , Dong Li , Yiang Luo , Fangyuan Li , Pengfei Li

Solving cell problems in homogenization is hard, and available deep-learning frameworks fail to match the speed and generality of traditional computational frameworks. More to the point, it is generally unclear what to expect of…

计算工程、金融与科学 · 计算机科学 2025-11-07 Binh Huy Nguyen , Matti Schneider

Machine learning potentials have emerged as a means to enhance the accuracy of biomolecular simulations. However, their application is constrained by the significant computational cost arising from the vast number of parameters compared to…

Field-programmable gate arrays (FPGAs) are widely used to implement deep learning inference. Standard deep neural network inference involves the computation of interleaved linear maps and nonlinear activation functions. Prior work for…

机器学习 · 计算机科学 2024-02-12 Marta Andronic , George A. Constantinides