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GPU kernel optimization is fundamental to modern deep learning but remains a highly specialized task requiring deep hardware expertise. Despite strong performance in general programming, large language models (LLMs) remain uncompetitive…

GPU kernel optimization has long been a central challenge at the intersection of high-performance computing and machine learning. Efficient kernels are crucial for accelerating large language model (LLM) training and serving, yet attaining…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-04 Anjiang Wei , Tianran Sun , Yogesh Seenichamy , Hang Song , Anne Ouyang , Azalia Mirhoseini , Ke Wang , Alex Aiken

GPU code optimization is a key performance bottleneck for HPC workloads as well as large-model training and inference. Although compiler optimizations and hand-written kernels can partially alleviate this issue, achieving…

Computation and Language · Computer Science 2026-01-26 Qiuyi Qu , Yicheng Sui , Yufei Sun , Rui Chen , Xiaofei Zhang , Yuzhi Zhang , Haofeng Wang , Ge Lan

Optimizing CUDA code across multiple generations of GPU architectures is challenging, as achieving peak performance requires an extensive exploration of an increasingly complex, hardware-specific optimization space. Traditional compilers…

Recent advances in large language models (LLMs) demonstrate their effectiveness in scaling test-time compute for software engineering tasks. However, these approaches often focus on high-level solutions, with limited attention to optimizing…

Software Engineering · Computer Science 2025-09-19 Robert Tjarko Lange , Qi Sun , Aaditya Prasad , Maxence Faldor , Yujin Tang , David Ha

Optimizing GPU kernels for high performance is a complex task, often demanding deep architectural knowledge, extensive profiling, and iterative experimentation. This challenge is amplified when targeting newer or less-documented GPU…

Machine Learning · Computer Science 2025-08-25 Martin Andrews , Sam Witteveen

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

High-performance GPU kernels are critical to modern machine learning systems, yet developing efficient implementations remains a challenging, expert-driven process due to the tight coupling between algorithmic structure, memory hierarchy…

Machine Learning · Computer Science 2026-04-03 Tara Saba , Anne Ouyang , Xujie Si , Fan Long

Large Language Models (LLMs) have demonstrated strong capabilities in general-purpose code generation. However, generating the code which is deeply hardware-specific, architecture-aware, and performance-critical, especially for massively…

Machine Learning · Computer Science 2025-06-12 Wentao Chen , Jiace Zhu , Qi Fan , Yehan Ma , An Zou

Optimizing the performance of computational fluid dynamics (CFD) applications accelerated by graphics processing units (GPUs) is crucial for efficient simulations. In this study, we employed a machine learning-based autotuning technique to…

Performance · Computer Science 2024-02-21 Weicheng Xue , Christohper John Roy

Developing efficient CUDA kernels is increasingly critical for AI applications such as large-scale LLM training. However, manual kernel design is both costly and time-consuming, motivating automatic approaches that leverage LLMs for code…

Machine Learning · Computer Science 2025-11-06 Zijian Zhang , Rong Wang , Shiyang Li , Yuebo Luo , Mingyi Hong , Caiwen Ding

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

Automatic code generation is frequently used to create implementations of algorithms specifically tuned to particular hardware and application parameters. The code generation process involves the selection of adequate code transformations,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-08 Dominik Ernst , Markus Holzer , Georg Hager , Matthias Knorr , Gerhard Wellein

Improving GPU kernel efficiency is crucial for advancing AI systems. Recent work has explored leveraging large language models (LLMs) for GPU kernel generation and optimization. However, existing LLM-based kernel optimization pipelines…

Machine Learning · Computer Science 2026-03-12 Qitong Sun , Jun Han , Tianlin Li , Zhe Tang , Sheng Chen , Fei Yang , Aishan Liu , Xianglong Liu , Yang Liu

Custom CUDA kernel development is essential for maximizing GPU utilization in large-scale distributed LLM training and inference, yet manually writing kernels that jointly leverage both computation and communication remains a…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-04 Bodun Hu , Yoga Sri Varshan , Saurabh Agarwal , Aditya Akella

Maximizing performance on available GPU hardware is an ongoing challenge for modern AI inference systems. Traditional approaches include writing custom GPU kernels and using specialized model compilers to tune high-level code for specific…

Multiagent Systems · Computer Science 2026-05-15 Kirill Nagaitsev , Luka Grbcic , Samuel Williams , Costin Iancu

Large language models (LLMs) are remarked by their substantial computational requirements. To mitigate the cost, researchers develop specialized CUDA kernels, which often fuse several tensor operations to maximize the utilization of GPUs as…

Hardware Architecture · Computer Science 2025-01-15 Guoliang He , Eiko Yoneki

LLM-based coding agents can generate functionally correct GPU kernels, yet their performance remains far below hand-optimized libraries on critical computations such as matrix multiplication, attention, and Mixture-of-Experts (MoE). Peak…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-22 Haohui Mai , Xiaoyan Guo , Xiangyun Ding , Daifeng Li , Qiuchu Yu , Chenzhun Guo , Cong Wang , Jiacheng Zhao , Christos Kozyrakis , Binhang Yuan

High-performance computing has recently seen a surge of interest in heterogeneous systems, with an emphasis on modern Graphics Processing Units (GPUs). These devices offer tremendous potential for performance and efficiency in important…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-07-17 Andreas Klöckner , Nicolas Pinto , Yunsup Lee , Bryan Catanzaro , Paul Ivanov , Ahmed Fasih

Molecule generation using generative AI is vital for drug discovery, yet class-specific datasets often contain fewer than 100 training examples. While fragment-based models handle limited data better than atom-based approaches, existing…

Artificial Intelligence · Computer Science 2025-11-27 Yuto Suzuki , Paul Awolade , Daniel V. LaBarbera , Farnoush Banaei-Kashani
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