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Machine learning interatomic potentials (ML-IAPs) enable quantum-accurate, classical molecular dynamics simulations of large systems, beyond reach of density functional theory (DFT). Yet, their efficiency and ability to predict systems…

Materials Science · Physics 2023-11-07 Lei Zhang , Gábor Csányi , Erik van der Giessen , Francesco Maresca

Machine learning interatomic potentials (MLIPs) are revolutionizing the field of molecular dynamics (MD) simulations. Recent MLIPs have tended towards more complex architectures trained on larger datasets. The resulting increase in…

In the quest for low power, bio-inspired computation both memristive and memcapacitive-based Artificial Neural Networks (ANN) have been the subjects of increasing focus for hardware implementation of neuromorphic computing. One step…

Neural and Evolutionary Computing · Computer Science 2022-06-22 Sachin Maheshwari , Alexander Serb , Christos Papavassiliou , Themistoklis Prodromakis

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…

Neural and Evolutionary Computing · Computer Science 2020-07-03 Jibin Wu , Chenglin Xu , Daquan Zhou , Haizhou Li , Kay Chen Tan

Machine-learning interatomic potentials (MLIPs) have become a mainstay in computationally-guided materials science, surpassing traditional force fields due to their flexible functional form and superior accuracy in reproducing physical…

Chemical Physics · Physics 2026-01-13 Igor Vorotnikov , Fedor Romashov , Nikita Rybin , Maxim Rakhuba , Ivan S. Novikov

Split computing distributes deep neural network inference between resource-constrained edge devices and cloud servers but faces significant communication bottlenecks when transmitting intermediate features. To this end, in this paper, we…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-18 Mingyu Sung , Suhwan Im , Vikas Palakonda , Jae-Mo Kang

We present an accurate machine learning (ML) model for atomistic simulations of carbon, constructed using the Gaussian approximation potential (GAP) methodology. The potential, named GAP-20, describes the properties of the bulk crystalline…

Computational Physics · Physics 2020-08-26 Patrick Rowe , Volker L Deringer , Piero Gasparotto , Gábor Csányi , Angelos Michaelides

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,…

Processing Using Memory (PUM) accelerators have the potential to perform Deep Neural Network (DNN) inference by using arrays of memory cells as computation engines. Among various memory technologies, ReRAM crossbars show promising…

Hardware Architecture · Computer Science 2024-10-24 Mohammad Sabri , Marc Riera , Antonio González

Neural processes (NPs) learn stochastic processes and predict the distribution of target output adaptively conditioned on a context set of observed input-output pairs. Furthermore, Attentive Neural Process (ANP) improved the prediction…

Machine Learning · Computer Science 2019-10-22 Shenghao Qin , Jiacheng Zhu , Jimmy Qin , Wenshuo Wang , Ding Zhao

Approximate Nearest Neighbor Search (ANNS) is a critical component of modern AI systems, such as recommendation engines and retrieval-augmented large language models (RAG-LLMs). However, scaling ANNS to billion-entry datasets exposes…

Hardware Architecture · Computer Science 2025-08-21 Sitian Chen , Amelie Chi Zhou , Yucheng Shi , Yusen Li , Xin Yao

Tensor parallelism is an essential technique for distributed training of large neural networks. However, automatically determining an optimal tensor parallel strategy is challenging due to the gigantic search space, which grows…

Machine Learning · Computer Science 2025-08-06 Ziji Shi , Le Jiang , Ang Wang , Jie Zhang , Chencan Wu , Yong Li , Xiaokui Xiao , Wei Lin , Jialin Li

Deep reinforcement learning (RL) is increasingly deployed in resource-constrained environments, yet the go-to function approximators - multilayer perceptrons (MLPs) - are often parameter-inefficient due to an imperfect inductive bias for…

Machine Learning · Computer Science 2026-02-02 Rajib Mostakim , Reza T. Batley , Sourav Saha

Modern Neural Radiance Fields (NeRFs) learn a mapping from position to volumetric density leveraging proposal network samplers. In contrast to the coarse-to-fine sampling approach with two NeRFs, this offers significant potential for…

Computer Vision and Pattern Recognition · Computer Science 2024-04-12 Lukas Radl , Andreas Kurz , Michael Steiner , Markus Steinberger

Deep convolutional neural networks (DCNNs) have shown dominant performance in the task of super-resolution (SR). However, their heavy memory cost and computation overhead significantly restrict their practical deployments on…

Image and Video Processing · Electrical Eng. & Systems 2020-11-10 Huixia Li , Chenqian Yan , Shaohui Lin , Xiawu Zheng , Yuchao Li , Baochang Zhang , Fan Yang , Rongrong Ji

Restricted Boltzmann machines (RBMs) and their extensions, called 'deep-belief networks', are powerful neural networks that have found applications in the fields of machine learning and artificial intelligence. The standard way to training…

Machine Learning · Computer Science 2018-10-25 Haik Manukian , Fabio L. Traversa , Massimiliano Di Ventra

Machine Learning methods and, in particular, Artificial Neural Networks (ANNs) have demonstrated promising capabilities in material constitutive modeling. One of the main drawbacks of such approaches is the lack of a rigorous frame based on…

Machine Learning · Computer Science 2020-12-18 Filippo Masi , Ioannis Stefanou , Paolo Vannucci , Victor Maffi-Berthier

Machine learning (ML) has revolutionized medical prognostics by integrating advanced algorithms with clinical data to enhance disease prediction, risk assessment, and patient outcome forecasting. This comprehensive review critically…

Machine Learning · Computer Science 2024-08-06 Michael Fascia

Randomized neural networks (RaNNs) are attractive for partial differential equations (PDEs) because they replace expensive end-to-end training with a linear least-squares solve over randomized hidden features. Their practical performance,…

Numerical Analysis · Mathematics 2026-04-28 You Yang , Fei Wang

Power consumption is a major obstacle in the deployment of deep neural networks (DNNs) on end devices. Existing approaches for reducing power consumption rely on quite general principles, including avoidance of multiplication operations and…

Machine Learning · Computer Science 2022-02-08 Nurit Spingarn Eliezer , Ron Banner , Elad Hoffer , Hilla Ben-Yaakov , Tomer Michaeli