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Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep. Recently, a molecular dynamics (MD) method…

Computational Physics · Physics 2019-11-01 JCS Kadupitiya , Geoffrey C. Fox , Vikram Jadhao

As the increasing complexity of Neural Network(NN) models leads to high demands for computation, AMD introduces a heterogeneous programmable system-on-chip (SoC), i.e., Versal ACAP architectures featured with programmable logic (PL), CPUs,…

Hardware Architecture · Computer Science 2023-05-31 Jinming Zhuang , Zhuoping Yang , Peipei Zhou

The ever-increasing data demand craves advancements in high-speed and energy-efficient computing hardware. Analog optical neural network (ONN) processors have emerged as a promising solution, offering benefits in bandwidth and energy…

Optics · Physics 2026-04-07 Chao Luan , Ronald Davis , Zaijun Chen , Dirk Englund , Ryan Hamerly

We use HIP-NN, a neural network architecture that excels at predicting molecular energies, to predict atomic charges. The charge predictions are accurate over a wide range of molecules (both small and large) and for a diverse set of charge…

As cost and performance benefits associated with Moore's Law scaling slow, researchers are studying alternative architectures (e.g., based on analog and/or spiking circuits) and/or computational models (e.g., convolutional and recurrent…

Emerging Technologies · Computer Science 2019-06-14 Qiuwen Lou , Indranil Palit , Tang Li , Andras Horvath , Michael Niemier , X. Sharon Hu

Message-passing graph neural network interatomic potentials (GNN-IPs), particularly those with equivariant representations such as NequIP, are attracting significant attention due to their data efficiency and high accuracy. However,…

Materials Science · Physics 2024-06-13 Yutack Park , Jaesun Kim , Seungwoo Hwang , Seungwu Han

Large Language Models (LLMs) with Mixture-of-Expert (MoE) architectures achieve superior model performance with reduced computation costs, but at the cost of high memory capacity and bandwidth requirements. Near-Memory Processing (NMP)…

Performance · Computer Science 2025-09-12 Haochen Huang , Shuzhang Zhong , Zhe Zhang , Shuangchen Li , Dimin Niu , Hongzhong Zheng , Runsheng Wang , Meng Li

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular…

Machine Learning · Computer Science 2020-09-29 Zeren Shui , George Karypis

In recent years, machine learning (ML) surrogate models have emerged as an indispensable tool to accelerate simulations of physical and chemical processes. However, there is still a lack of ML models that can accurately predict molecular…

Chemical Physics · Physics 2024-02-13 Yuzhuo Chen , Sebastian V. Pios , Maxim F. Gelin , Lipeng Chen

Hyperspectral image (HSI) classification has been widely adopted in applications involving remote sensing imagery analysis which require high classification accuracy and real-time processing speed. Methods based on Convolutional neural…

Image and Video Processing · Electrical Eng. & Systems 2019-08-21 Shuanglong Liu , Ringo S. W. Chu , Xiwei Wang , Wayne Luk

The cost involved in training deep neural networks (DNNs) on von-Neumann architectures has motivated the development of novel solutions for efficient DNN training accelerators. We propose a hybrid in-memory computing (HIC) architecture for…

Hardware Architecture · Computer Science 2021-02-11 Vinay Joshi , Wangxin He , Jae-sun Seo , Bipin Rajendran

The support vector machines (SVM) is one of the most widely used and practical optimization based classification models in machine learning because of its interpretability and flexibility to produce high quality results. However, the big…

Machine Learning · Computer Science 2020-11-06 Ehsan Sadrfaridpour , Korey Palmer , Ilya Safro

Driven by the increasing demand for low-latency and real-time processing, machine learning applications are steadily migrating toward edge computing platforms, where Field-Programmable Gate Arrays (FPGAs) are widely adopted for their energy…

Hardware Architecture · Computer Science 2026-02-13 Jiahong Bi , Lars Schütze , Jeronimo Castrillon

We present a morphological-symmetry-equivariant heterogeneous graph neural network, namely MS-HGNN, for robotic dynamics learning, that integrates robotic kinematic structures and morphological symmetries into a single graph network. These…

Robotics · Computer Science 2026-03-11 Fengze Xie , Sizhe Wei , Yue Song , Yisong Yue , Lu Gan

In the context of object detection, sliding-window classifiers and single-shot Convolutional Neural Network (CNN) meta-architectures typically yield multiple overlapping candidate windows with similar high scores around the true location of…

Computer Vision and Pattern Recognition · Computer Science 2025-02-04 David Oro , Carles Fernández , Xavier Martorell , Javier Hernando

Machine Learning (ML) functions are becoming ubiquitous in latency- and privacy-sensitive IoT applications, prompting a shift toward near-sensor processing at the extreme edge and the consequent increasing adoption of Parallel Ultra-Low…

Hardware Architecture · Computer Science 2022-11-15 Enrico Tabanelli , Giuseppe Tagliavini , Luca Benini

The convolutional neural network (CNN) has become a state-of-the-art method for several artificial intelligence domains in recent years. The increasingly complex CNN models are both computation-bound and I/O-bound. FPGA-based accelerators…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-07-26 Yu Xing , Shuang Liang , Lingzhi Sui , Xijie Jia , Jiantao Qiu , Xin Liu , Yushun Wang , Yu Wang , Yi Shan

With the rapidly-developing high-speed wireless communications, the 60 GHz millimeter-wave frequency range and radio-over-fiber systems have been investigated as a promising solution to deliver mm-wave signals. Neural networks have been…

Signal Processing · Electrical Eng. & Systems 2020-05-20 Jeonghun Lee , Jiayuan He , Ke Wang

Emerging computing architectures such as near-memory computing (NMC) promise improved performance for applications by reducing the data movement between CPU and memory. However, detecting such applications is not a trivial task. In this…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-04-19 Stefano Corda , Gagandeep Singh , Ahsan Javed Awan , Roel Jordans , Henk Corporaal

Datacenters are increasingly becoming heterogeneous, and are starting to include specialized hardware for networking, video processing, and especially deep learning. To leverage the heterogeneous compute capability of modern datacenters, we…

Machine Learning · Computer Science 2023-08-03 Yassine Ghannane , Mohamed S. Abdelfattah