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Graph Neural Networks (GNNs) show strong promise for circuit analysis, but scaling to modern large-scale circuit graphs is limited by GPU memory and training cost, especially for deep models. We revisit deep GNNs for circuit graphs and show…

Data-driven methods are widely used to develop physical models, but there still exist limitations that affect their performance, generalizability and robustness. By combining gene expression programming (GEP) with artificial neural network…

Interatomic potentials learned using machine learning methods have been successfully applied to atomistic simulations. However, accurate models require large training datasets, while generating reference calculations is computationally…

Abstract Interatomic potentials constitute the key component of large-scale atomistic simulations of materials. The recently proposed physically-informed neural network (PINN) method combines a high-dimensional regression implemented by an…

Nuclear masses are machine-learned as a function of proton and neutron numbers. The neural network with additive Gaussian process regression-optimized activation functions (GPR-NN) method is employed for the first time for this purpose.…

Spiking neural networks (SNNs) have shown clear advantages over traditional artificial neural networks (ANNs) for low latency and high computational efficiency, due to their event-driven nature and sparse communication. However, the…

Artificial Neural Networks (ANNs) have emerged as hot topics in the research community. Despite the success of ANNs, it is challenging to train and deploy modern ANNs on commodity hardware due to the ever-increasing model size and the…

Deep learning is revolutionizing many areas of science and technology, especially image, text and speech recognition. In this paper, we demonstrate how a deep neural network (NN) trained on quantum mechanical (QM) DFT calculations can learn…

Recently, a Gaussian Process Regression - neural network (GPRNN) hybrid machine learning method was proposed, which is based on additive-kernel GPR in redundant coordinates constructed by rules [J. Phys. Chem. A 127 (2023) 7823]. The method…

Drawing on the intricate structures of the brain, Spiking Neural Networks (SNNs) emerge as a transformative development in artificial intelligence, closely emulating the complex dynamics of biological neural networks. While SNNs show…

Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific…

Spiking Neural Networks (SNNs) have been attached great importance due to the distinctive properties of low power consumption, biological plausibility, and adversarial robustness. The most effective way to train deep SNNs is through…

An efficient and trajectory-free active learning method is proposed to automatically sample data points for constructing globally accurate reactive potential energy surfaces (PESs) using neural networks (NNs). Although NNs do not provide…

This paper describes a method for accelerating large scale Artificial Neural Networks (ANN) training using multi-GPUs by reducing the forward and backward passes to matrix multiplication. We propose an out-of-core multi-GPU matrix…

High-fidelity full-field micro-mechanical modeling of the non-linear path-dependent materials demands a substantial computational effort. Recent trends in the field incorporates data-driven Artificial Neural Networks (ANNs) as surrogate…

Spiking neural networks (SNNs) have garnered interest due to their energy efficiency and superior effectiveness on neuromorphic chips compared with traditional artificial neural networks (ANNs). One of the mainstream approaches to…

We present our work on developing and training scalable, trustworthy, and energy-efficient predictive graph foundation models (GFMs) using HydraGNN, a multi-headed graph convolutional neural network architecture. HydraGNN expands the…

Prediction of material properties from first principles is often a computationally expensive task. Recently, artificial neural networks and other machine learning approaches have been successfully employed to obtain accurate models at a low…

In recent years, several successful applications of the Artificial Neural Networks (ANNs) have emerged in nuclear physics and high-energy physics, as well as in biology, chemistry, meteorology, and other fields of science. A major goal of…

Spiking neural networks (SNNs) provide an energy-efficient alternative to a variety of artificial neural network (ANN) based AI applications. As the progress in neuromorphic computing with SNNs expands their use in applications, the problem…