Related papers: Scalable Hybrid Deep Neural Networks/Polarizable P…

We introduce a scheme for molecular simulations, the Deep Potential Molecular Dynamics (DeePMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data.…

The success of Deep Reinforcement Learning (DRL) is largely attributed to utilizing Artificial Neural Networks (ANNs) as function approximators. Recent advances in neuroscience have unveiled that the human brain achieves efficient…

Traditionally, calcium dynamics in neurons are modeled using partial differential equations (PDEs) and ordinary differential equations (ODEs). The PDE component focuses on reaction-diffusion processes, while the ODE component addresses…

This short report describes the scaling, up to 1024 software processes and hardware cores, of a distributed simulator of plastic spiking neural networks. A previous report demonstrated good scalability of the simulator up to 128 processes.…

Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…

Spiking Neural Networks (SNNs) have garnered considerable attention as a potential alternative to Artificial Neural Networks (ANNs). Recent studies have highlighted SNNs' potential on large-scale datasets. For SNN training, two main…

In the study of non-adiabatic chemical processes such as photocatalysis and photosynthesis, non-adiabatic molecular dynamics (NAMD) is an indispensable theoretical tool, which requires precise potential energy surfaces (PESs) of ground and…

Artificial and biological neural networks (ANNs and BNNs) can encode inputs in the form of combinations of individual neurons' activities. These combinatorial neural codes present a computational challenge for direct and efficient analysis…

Analog in-memory computing (AIMC) -- a promising approach for energy-efficient acceleration of deep learning workloads -- computes matrix-vector multiplications (MVMs) but only approximately, due to nonidealities that often are…

Diffractive Neural Networks (DNNs) leverage the power of light to enhance computational performance in machine learning, offering a pathway to high-speed, low-energy, and large-scale neural information processing. However, most existing DNN…

Compared to classical deep neural networks its binarized versions can be useful for applications on resource-limited devices due to their reduction in memory consumption and computational demands. In this work we study deep neural networks…

Accurate prediction of binding free energies is critical to streamlining the drug development and protein design process. With the advent of GPU acceleration, absolute alchemical methods, which simulate the removal of ligand electrostatics…

This paper proposes a deep learning based power allocation (DL-PA) and hybrid precoding technique for multiuser massive multiple-input multiple-output (MU-mMIMO) systems. We first utilize an angular-based hybrid precoding technique for…

Adiabatic quantum computers, such as the quantum annealers commercialized by D-Wave Systems Inc., are routinely used to tackle combinatorial optimization problems. In this article, we show how to exploit them to accelerate equilibrium…

Highly energetic electron-hole pairs (hot carriers) formed from plasmon decay in metallic nanostructures promise sustainable pathways for energy-harvesting devices. However, efficient collection before thermalization remains an obstacle for…

The Hawkes process (HP) is commonly used to model event sequences with self-reinforcing dynamics, including electronic health records (EHRs). Traditional HPs capture self-reinforcement via parametric impact functions that can be inspected…

Over the past decade, artificial neural networks (ANNs) have made tremendous advances, in part due to the increased availability of annotated data. However, ANNs typically require significant power and memory consumptions to reach their…

While the role of Deep Neural Networks (DNNs) in a wide range of safety-critical applications is expanding, emerging DNNs experience massive growth in terms of computation power. It raises the necessity of improving the reliability of DNN…

The recent success of Deep Neural Networks (DNNs) has drastically improved the state of the art for many application domains. While achieving high accuracy performance, deploying state-of-the-art DNNs is a challenge since they typically…

This work introduces a new framework integrating port-Hamiltonian systems (PHS) and neural network architectures. This framework bridges the gap between deterministic and stochastic modeling of complex dynamical systems. We introduce new…