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Neural network (NN) interatomic potentials provide fast prediction of potential energy surfaces, closely matching the accuracy of the electronic structure methods used to produce the training data. However, NN predictions are only reliable…

Machine Learning · Computer Science 2021-08-31 Daniel Schwalbe-Koda , Aik Rui Tan , Rafael Gómez-Bombarelli

The value memristor devices offer to the neuromorphic computing hardware design community rests on the ability to provide effective device models that can enable large scale integrated computing architecture application simulations.…

Mesoscale and Nanoscale Physics · Physics 2016-11-18 Nathan R. McDonald , Robinson E. Pino , Peter J. Rozwood , Bryant T. Wysocki

Large neural networks are typically trained for a fixed computational budget, creating a rigid trade-off between performance and efficiency that is ill-suited for deployment in resource-constrained or dynamic environments. Existing…

Machine Learning · Computer Science 2026-03-05 Paulius Rauba , Mihaela van der Schaar

Modeling the behavior of coupled networks is challenging due to their intricate dynamics. For example in neuroscience, it is of critical importance to understand the relationship between the functional neural processes and anatomical…

Machine Learning · Computer Science 2021-04-20 Hongyuan You , Sikun Lin , Ambuj K. Singh

Large-scale tensor network simulations are crucial for developing robust complexity-theoretic bounds on classical quantum simulation, enabling circuit cutting approaches, and optimizing circuit compilation, all of which aid efficient…

Quantum Physics · Physics 2026-01-09 Aaron C. Hoyt , Jonathan S. Bersson , Sean Garner , Chenxu Liu , Ang Li

Neural Module Networks (NMNs) have been quite successful in incorporating explicit reasoning as learnable modules in various question answering tasks, including the most generic form of numerical reasoning over text in Machine Reading…

Computation and Language · Computer Science 2021-01-29 Amrita Saha , Shafiq Joty , Steven C. H. Hoi

Quantum computer technology harnesses the features of quantum physics for revolutionizing information processing and computing. As such, quantum computers use physical quantum gates that process information unitarily, even though the final…

Many dynamical systems can be successfully analyzed by representing them as networks. Empirically measured networks and dynamic processes that take place in these situations show heterogeneous, non-Markovian, and intrinsically correlated…

We have calculated the key characteristics of associative (content-addressable) spatial-temporal memories based on neuromorphic networks with restricted connectivity - "CrossNets". Such networks may be naturally implemented in…

Neural and Evolutionary Computing · Computer Science 2017-07-14 Dmitri Gavrilov , Dmitri Strukov , Konstantin K. Likharev

Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…

Machine Learning · Computer Science 2025-12-09 Zihan Pengmei , Spencer C. Guo , Chatipat Lorpaiboon , Aaron R. Dinner

Network simulation is the most useful and common methodology used to evaluate different network to-pologies without real world implementation. Network simulators are widely used by the research community to evaluate new theories and…

Networking and Internet Architecture · Computer Science 2013-07-17 Atta ur Rehman Khana , Sardar M. Bilalb , Mazliza Othmana

This work presents a novel methodology for analysis and control of nonlinear fluid systems using neural networks. The approach is demonstrated on four different study cases being the Lorenz system, a modified version of the…

Fluid Dynamics · Physics 2023-08-28 Tarcísio Déda , William Wolf , Scott Dawson

UNet [27] is widely used in semantic segmentation due to its simplicity and effectiveness. However, its manually-designed architecture is applied to a large number of problem settings, either with no architecture optimizations, or with…

Machine Learning · Computer Science 2022-07-14 Zifu Wang , Matthew B. Blaschko

We show that memcapacitive (memory capacitive) systems can be used as synapses in artificial neural networks. As an example of our approach, we discuss the architecture of an integrate-and-fire neural network based on memcapacitive…

Disordered Systems and Neural Networks · Physics 2016-06-24 Y. V. Pershin , M. Di Ventra

We present a tensor network model (TNM) for forecasting nonlinear and chaotic dynamics, bridging quantum many-body methods with classical complex systems. The TNM leverages hierarchical tensor contractions to encode non-Markovian temporal…

Quantum Physics · Physics 2025-11-13 Jia-Bin You , Jian Feng Kong , Jun Ye

Understanding how complex systems respond to perturbations, such as whether they will remain stable or what their most sensitive patterns are, is a fundamental challenge across science and engineering. Traditional stability and receptivity…

Fluid Dynamics · Physics 2026-04-28 Chengyun Wang , Liwei Chen , Nils Thuerey

Recently, both industry and academia have proposed several different neuromorphic systems to execute machine learning applications that are designed using Spiking Neural Networks (SNNs). With the growing complexity on design and technology…

Neural and Evolutionary Computing · Computer Science 2022-02-21 Phu Khanh Huynh , M. Lakshmi Varshika , Ankita Paul , Murat Isik , Adarsha Balaji , Anup Das

Large-scale computations of fission properties are an important ingredient for nuclear reaction network calculations simulating rapid neutron-capture process (the r process) nucleosynthesis. Due to the large number of fissioning nuclei…

Nuclear Theory · Physics 2024-04-04 Daniel Lay , Eric Flynn , Samuel A. Giuliani , Witold Nazarewicz , Leó Neufcourt

Recurrent Neural Networks (RNNs) are a class of machine learning algorithms used for applications with time-series and sequential data. Recently, there has been a strong interest in executing RNNs on embedded devices. However, difficulties…

Neural and Evolutionary Computing · Computer Science 2020-03-23 Nesma M. Rezk , Madhura Purnaprajna , Tomas Nordström , Zain Ul-Abdin

Learning models for dynamical systems in continuous time is significant for understanding complex phenomena and making accurate predictions. This study presents a novel approach utilizing differential neural networks (DNNs) to model…

Machine Learning · Computer Science 2024-12-13 Wenjie Mei , Xiaorui Wang , Yanrong Lu , Ke Yu , Shihua Li