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We train an equivariant machine learning model to predict energies and forces for a real-world study of hydrogen combustion under conditions of finite temperature and pressure. This challenging case for reactive chemistry illustrates that…

Chemical Physics · Physics 2023-06-16 Xingyi Guan , Joseph Heindel , Taehee Ko , Chao Yang , Teresa Head-Gordon

When deploying deep learning models to a device, it is traditionally assumed that available computational resources (compute, memory, and power) remain static. However, real-world computing systems do not always provide stable resource…

Machine Learning · Computer Science 2021-10-11 Elvis Nunez , Maxwell Horton , Anish Prabhu , Anurag Ranjan , Ali Farhadi , Mohammad Rastegari

Model Compression has drawn much attention within the deep learning community recently. Compressing a dense neural network offers many advantages including lower computation cost, deployability to devices of limited storage and memories,…

Machine Learning · Computer Science 2024-11-04 Diptarka Saha , Zihe Liu , Feng Liang

Embedding techniques have become essential components of large databases in the deep learning era. By encoding discrete entities, such as words, items, or graph nodes, into continuous vector spaces, embeddings facilitate more efficient…

Information Retrieval · Computer Science 2024-10-18 Shiwei Li , Zhuoqi Hu , Xing Tang , Haozhao Wang , Shijie Xu , Weihong Luo , Yuhua Li , Xiuqiang He , Ruixuan Li

Potential Energy Surfaces (PESs) are an indispensable tool to investigate, characterise and understand chemical and biological systems in the gas and condensed phases. Advances in Machine Learning (ML) methodologies have led to the…

Chemical Physics · Physics 2025-11-04 Valerii Andreichev , Sena Aydin , Kai Töpfer , Markus Meuwly , Luis Itza Vazquez-Salazar

Model compression methods can reduce model complexity on the premise of maintaining acceptable performance, and thus promote the application of deep neural networks under resource constrained environments. Despite their great success, the…

Machine Learning · Computer Science 2024-07-25 Chunnan Wang , Hongzhi Wang , Xiangyu Shi

Compressing neural nets is an active research problem, given the large size of state-of-the-art nets for tasks such as object recognition, and the computational limits imposed by mobile devices. We give a general formulation of model…

Machine Learning · Computer Science 2017-07-06 Miguel Á. Carreira-Perpiñán

Neural network deployment on low-cost embedded systems, hence on microcontrollers (MCUs), has recently been attracting more attention than ever. Since MCUs have limited memory capacity as well as limited compute-speed, it is critical that…

Machine Learning · Computer Science 2021-03-31 Eren Dogan , H. Fatih Ugurdag , Hasan Unlu

Kernel models of potential energy surfaces (PES) for polyatomic molecules are often restricted by a specific choice of the kernel function. This can be avoided by optimizing the complexity of the kernel function. For regression problems…

Chemical Physics · Physics 2023-05-02 Jun Dai , Roman V. Krems

Despite rapid advancements, machine learning, particularly deep learning, is hindered by the need for large amounts of labeled data to learn meaningful patterns without overfitting and immense demands for computation and storage, which…

Machine Learning · Computer Science 2025-06-30 Xiaobo Zhao , Aaron Hurst , Panagiotis Karras , Daniel E. Lucani

Model compression has been introduced to reduce the required hardware resources while maintaining the model accuracy. Lots of techniques for model compression, such as pruning, quantization, and low-rank approximation, have been suggested…

Machine Learning · Computer Science 2018-10-31 Dongsoo Lee , Parichay Kapoor , Byeongwook Kim

The deployment of deep learning (DL) models for precoding in massive multiple-input multiple-output (mMIMO) systems is often constrained by high computational demands and energy consumption. In this paper, we investigate the compute energy…

Signal Processing · Electrical Eng. & Systems 2025-02-14 Ghazal Kasalaee , Ali Hasanzadeh Karkan , Jean-François Frigon , François Leduc-Primeau

Compressing integer keys is a fundamental operation among multiple communities, such as database management (DB), information retrieval (IR), and high-performance computing (HPC). Recent advances in \emph{learned indexes} have inspired the…

Databases · Computer Science 2024-12-17 Qiyu Liu , Siyuan Han , Jianwei Liao , Jin Li , Jingshu Peng , Jun Du , Lei Chen

Simulations of complex physical systems are typically realized by discretizing partial differential equations (PDEs) on unstructured meshes. While neural networks have recently been explored for surrogate and reduced order modeling of PDE…

Machine Learning · Computer Science 2021-10-27 Jiayang Xu , Aniruddhe Pradhan , Karthik Duraisamy

Deep neural networks have achieved increasingly accurate results on a wide variety of complex tasks. However, much of this improvement is due to the growing use and availability of computational resources (e.g use of GPUs, more layers, more…

Machine Learning · Computer Science 2018-08-03 Ini Oguntola , Subby Olubeko , Christopher Sweeney

Model pruning seeks to induce sparsity in a deep neural network's various connection matrices, thereby reducing the number of nonzero-valued parameters in the model. Recent reports (Han et al., 2015; Narang et al., 2017) prune deep networks…

Machine Learning · Statistics 2017-11-15 Michael Zhu , Suyog Gupta

The working mechanisms of complex natural systems tend to abide by concise and profound partial differential equations (PDEs). Methods that directly mine equations from data are called PDE discovery, which reveals consistent physical laws…

Machine Learning · Computer Science 2023-03-17 Mengge Du , Yuntian Chen , Dongxiao Zhang

The success of deep learning (DL) is often achieved with large models and high complexity during both training and post-training inferences, hindering training in resource-limited settings. To alleviate these issues, this paper introduces a…

Machine Learning · Computer Science 2025-01-20 En-hui Yang , Shayan Mohajer Hamidi

Existing high-performance deep learning models require very intensive computing. For this reason, it is difficult to embed a deep learning model into a system with limited resources. In this paper, we propose the novel idea of the network…

Machine Learning · Computer Science 2019-02-13 Dae-Woong Jeong , Jaehun Kim , Youngseok Kim , Tae-Ho Kim , Myungsu Chae

The rapid growth of resource-constrained mobile platforms, including mobile robots, wearable systems, and Internet-of-Things devices, has increased the demand for computationally efficient neural network controllers (NNCs) that can operate…

Robotics · Computer Science 2025-08-12 Ganesh Sundaram , Jonas Ulmen , Amjad Haider , Daniel Görges