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The efficiency of GPU kernels is central to the progress of modern AI, yet optimizing them remains a difficult and labor-intensive task due to complex interactions between memory hierarchies, thread scheduling, and hardware-specific…

Artificial Intelligence · Computer Science 2025-10-21 Juncheng Dong , Yang Yang , Tao Liu , Yang Wang , Feng Qi , Vahid Tarokh , Kaushik Rangadurai , Shuang Yang

The industry of quantum technologies is rapidly expanding, offering promising opportunities for various scientific domains. Among these emerging technologies, Quantum Machine Learning (QML) has attracted considerable attention due to its…

Quantum Physics · Physics 2023-11-15 Artur Miroszewski , Jakub Nalepa , Bertrand Le Saux , Jakub Mielczarek

In a world burdened by air pollution, the integration of state-of-the-art sensor calibration techniques utilizing Quantum Computing (QC) and Machine Learning (ML) holds promise for enhancing the accuracy and efficiency of air quality…

Machine learning (ML) holds great promise for extracting insights from complex quantum many-body data obtained in quantum experiments. This approach can efficiently solve certain quantum problems that are classically intractable, suggesting…

Quantum Physics · Physics 2025-09-18 Koki Chinzei , Quoc Hoan Tran , Norifumi Matsumoto , Yasuhiro Endo , Hirotaka Oshima

Recent advancements in quantum computing (QC) and machine learning (ML) have fueled significant research efforts aimed at integrating these two transformative technologies. Quantum machine learning (QML), an emerging interdisciplinary…

Quantum Physics · Physics 2025-04-24 Samuel Yen-Chi Chen , Zhiding Liang

Embedded quantum machine learning (EQML) seeks to bring quantum machine learning (QML) capabilities to resource-constrained edge platforms such as IoT nodes, wearables, drones, and cyber-physical controllers. In 2026, EQML is technically…

Machine Learning · Computer Science 2026-03-16 Somdip Dey , Syed Muhammad Raza

We devise a performance model for GPU training of Deep Learning Recommendation Models (DLRM), whose GPU utilization is low compared to other well-optimized CV and NLP models. We show that both the device active time (the sum of kernel…

Machine Learning · Computer Science 2022-11-18 Zhongyi Lin , Louis Feng , Ehsan K. Ardestani , Jaewon Lee , John Lundell , Changkyu Kim , Arun Kejariwal , John D. Owens

Kernel methods in Quantum Machine Learning (QML) have recently gained significant attention as a potential candidate for achieving a quantum advantage in data analysis. Among other attractive properties, when training a kernel-based model…

Quantum Physics · Physics 2024-04-16 Supanut Thanasilp , Samson Wang , M. Cerezo , Zoë Holmes

Quantum kernel method is one of the key approaches to quantum machine learning, which has the advantages that it does not require optimization and has theoretical simplicity. By virtue of these properties, several experimental…

Quantum Physics · Physics 2022-11-28 Norihito Shirai , Kenji Kubo , Kosuke Mitarai , Keisuke Fujii

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it…

Machine Learning · Computer Science 2019-04-26 Matthias Fey , Jan Eric Lenssen

Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

Chemical Physics · Physics 2025-11-12 Yanxian Tao , Lingyun Wan , Xiongzhi Zeng , Yingdi Jin , Jie Liu , Zhenyu Li , Jinlong Yang

Training Large Language Models(LLMs) is one of the most compute-intensive tasks in high-performance computing. Predicting end-to-end training time for multi-billion parameter models distributed across hundreds of GPUs remains challenging…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-30 Biyao Zhang , Mingkai Zheng , Debargha Ganguly , Xuecen Zhang , Vikash Singh , Vipin Chaudhary , Zhao Zhang

Kernel functions are vital ingredients of several machine learning algorithms, but often incur significant memory and computational costs. We introduce an approach to kernel approximation in machine learning algorithms suitable for…

Deep learning (DL) frameworks take advantage of GPUs to improve the speed of DL inference and training. Ideally, DL frameworks should be able to fully utilize the computation power of GPUs such that the running time depends on the amount of…

Machine Learning · Computer Science 2020-12-07 Woosuk Kwon , Gyeong-In Yu , Eunji Jeong , Byung-Gon Chun

We introduce qclab++, a light-weight, fully-templated C++ package for GPU-accelerated quantum circuit simulations. The code offers a high degree of portability as it has no external dependencies and the GPU kernels are generated through…

Quantum Physics · Physics 2023-03-06 Roel Van Beeumen , Daan Camps , Neil Mehta

This review paper examines state-of-the-art algorithms and techniques in quantum machine learning with potential applications in finance. We discuss QML techniques in supervised learning tasks, such as Quantum Variational Classifiers,…

Language models are now prevalent in software engineering with many developers using them to automate tasks and accelerate their development. While language models have been tremendous at accomplishing complex software engineering tasks,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-21 Daniel Nichols , Konstantinos Parasyris , Charles Jekel , Abhinav Bhatele , Harshitha Menon

Optimizing GPU kernels manually is a challenging and time-consuming task. With the rapid development of LLMs, automated GPU kernel optimization is gradually becoming a tangible reality. However, current LLM-driven automated optimization…

Machine Learning · Computer Science 2026-03-10 Yuxuan Han , Meng-Hao Guo , Zhengning Liu , Wenguang Chen , Shi-Min Hu

Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…

Chemical Physics · Physics 2026-02-24 Valerii Andreichev , Jindra Dušek , Markus Meuwly , Jeremy O. Richardson

Efficient deployment of large language models, particularly Mixture of Experts (MoE), on resource-constrained platforms presents significant challenges, especially in terms of computational efficiency and memory utilization. The MoE…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-20 Shiyi Cao , Shu Liu , Tyler Griggs , Peter Schafhalter , Xiaoxuan Liu , Ying Sheng , Joseph E. Gonzalez , Matei Zaharia , Ion Stoica