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Large language models (LLMs) have revolutionized AI applications, yet their enormous computational demands severely limit deployment and real-time performance. Quantization methods can help reduce computational costs, however, attaining the…

Machine Learning · Computer Science 2025-09-03 Shaobo Ma , Chao Fang , Haikuo Shao , Zhongfeng Wang

Despite significant efforts, the realization of the hybrid quantum-classical algorithms has predominantly been confined to proof-of-principles, mainly due to the hardware noise. With fault-tolerant implementation being a long-term goal,…

Quantum Physics · Physics 2025-04-10 Srushti Patil , Dibyendu Mondal , Rahul Maitra

Writing high-performance GPU kernels is among the most labor-intensive tasks in machine learning systems engineering. We present AutoKernel, an open-source framework that applies an autonomous agent loop to GPU kernel optimization for…

Machine Learning · Computer Science 2026-03-24 Jaber Jaber , Osama Jaber

Benchmarking of quantum machine learning (QML) algorithms is challenging due to the complexity and variability of QML systems, e.g., regarding model ansatzes, data sets, training techniques, and hyper-parameters selection. The QUantum…

Quantum machine learning with quantum kernels for classification problems is a growing area of research. Recently, quantum kernel alignment techniques that parameterise the kernel have been developed, allowing the kernel to be trained and…

Quantum computing (QC) seems to show potential for application in machine learning (ML). In particular quantum kernel methods (QKM) exhibit promising properties for use in supervised ML tasks. However, a major disadvantage of kernel methods…

Quantum Physics · Physics 2025-01-14 Kilian Tscharke , Sebastian Issel , Pascal Debus

Quantum Machine Learning (QML) is an exciting tool that has received significant recent attention due in part to advances in quantum computing hardware. While there is currently no formal guarantee that QML is superior to classical ML for…

High Energy Physics - Phenomenology · Physics 2023-03-22 Sulaiman Alvi , Christian Bauer , Benjamin Nachman

In this paper, we present results obtained using QMCTorch, a modular framework for real-space Quantum Monte Carlo (QMC) simulations of small molecular systems. Built on the popular deep learning library PyTorch, QMCTorch is GPU-native and…

Chemical Physics · Physics 2025-06-12 Nicolas Renaud

We introduce PennyLane's Lightning suite, a collection of high-performance state-vector simulators targeting CPU, GPU, and HPC-native architectures and workloads. Quantum applications such as QAOA, VQE, and synthetic workloads are…

GPU architectural simulation is orders of magnitude slower than native execution, necessitating workload sampling for practical speedups. Existing methods rely on hand-crafted features with limited expressiveness, yielding either aggressive…

Performance · Computer Science 2026-03-03 Jiaqi Wang , Jingwei Sun , Jiyu Luo , Han Li , Guangzhong Sun

Quantum computing can empower machine learning models by enabling kernel machines to leverage quantum kernels for representing similarity measures between data. Quantum kernels are able to capture relationships in the data that are not…

Supervised Quantum Machine Learning (QML) represents an intersection of quantum computing and classical machine learning, aiming to use quantum resources to support model training and inference. This paper reviews recent developments in…

Quantum Physics · Physics 2025-06-26 Srikanth Thudumu , Jason Fisher , Hung Du

Computational quantum mechanics based molecular and materials design campaigns consume increasingly more high-performance compute resources, making improved job scheduling efficiency desirable in order to reduce carbon footprint or wasteful…

Chemical Physics · Physics 2020-06-15 Stefan Heinen , Max Schwilk , Guido Falk von Rudorff , O. Anatole von Lilienfeld

Machine learning is among the most widely anticipated use cases for near-term quantum computers, however there remain significant theoretical and implementation challenges impeding its scale up. In particular, there is an emerging body of…

Quantum Physics · Physics 2023-09-20 Maxwell T. West , Martin Sevior , Muhammad Usman

Large language models (LLMs) have been widely applied but face challenges in efficient inference. While quantization methods reduce computational demands, ultra-low bit quantization with arbitrary precision is hindered by limited GPU Tensor…

Machine Learning · Computer Science 2025-03-14 Shaobo Ma , Chao Fang , Haikuo Shao , Zhongfeng Wang

Background: Given the fast-paced nature of today's technology, which has surpassed human performance in tasks like image classification, visual reasoning, and English understanding, assessing the impact of Machine Learning (ML) on energy…

Machine Learning · Computer Science 2024-09-20 Alexandra González Álvarez , Joel Castaño , Xavier Franch , Silverio Martínez-Fernández

Data representation in quantum state space offers an alternative function space for machine learning tasks. However, benchmarking these algorithms at a practical scale has been limited by ineffective simulation methods. We develop a quantum…

Quantum Physics · Physics 2024-11-15 Mekena Metcalf , Pablo Andrés-Martínez , Nathan Fitzpatrick

As quantum computers become increasingly practical, so does the prospect of using quantum computation to improve upon traditional algorithms. Kernel methods in machine learning is one area where such improvements could be realized in the…

Quantum Physics · Physics 2023-05-30 Ara Ghukasyan , Jack S. Baker , Oktay Goktas , Juan Carrasquilla , Santosh Kumar Radha

Large Language Models (LLMs) face significant deployment challenges due to their substantial resource requirements. While low-bit quantized weights can reduce memory usage and improve inference efficiency, current hardware lacks native…

Machine Learning · Computer Science 2025-06-10 Pengxiang Zhao , Xiaoming Yuan

Optimizing GPU kernels presents a significantly greater challenge for large language models (LLMs) than standard code generation tasks, as it requires understanding hardware architecture, parallel optimization strategies, and performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-16 Nina Wiedemann , Quentin Leboutet , Michael Paulitsch , Diana Wofk , Benjamin Ummenhofer
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