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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…
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,…
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…
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…
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,…
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)…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…