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Performance profiles of GPU kernels generated by tools such as Nsight Compute are rich in detail but are often challenging to interpret. To achieve the best performance possible on a given GPU architecture, kernel developers need to spend…

The automatic generation of deep learning (DL) kernels using large language models (LLMs) has emerged as a promising approach to reduce the manual effort and hardware-specific expertise required for writing high-performance operator…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-29 Zhongzhen Wen , Yinghui Zhang , Zhong Li , Zhongxin Liu , Linna Xie , Tian Zhang

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

Many applications are increasingly requiring numerical simulations for solving complex problems. Most of these numerical algorithms are massively parallel and often implemented on parallel high-performance computers. However, classic…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-11-02 Karl F. A. Friebel , Stephanie Soldavini , Gerald Hempel , Christian Pilato , Jeronimo Castrillon

Despite recent progress in generating hardware RTL code with LLMs, existing solutions still suffer from a substantial gap between practical application scenarios and the requirements of real-world RTL code development. Prior approaches…

Hardware Architecture · Computer Science 2025-09-10 Zhongzhi Yu , Mingjie Liu , Michael Zimmer , Yingyan Celine Lin , Yong Liu , Haoxing Ren

Optimizing GPU kernels with LLM agents is an iterative process over a large design space. Every candidate must be generated, compiled, validated, and profiled, so fewer trials will save both runtime and cost. We make two key observations.…

Machine Learning · Computer Science 2026-04-01 Siva Kumar Sastry Hari , Vignesh Balaji , Sana Damani , Qijing Huang , Christos Kozyrakis

The advancement of natural language processing (NLP) has been significantly boosted by the development of transformer-based large language models (LLMs). These models have revolutionized NLP tasks, particularly in code generation, aiding…

Computation and Language · Computer Science 2024-05-27 Dong Huang , Jie M. Zhang , Michael Luck , Qingwen Bu , Yuhao Qing , Heming Cui

Kernel development in deep learning requires optimizing computational units across hardware while balancing memory management, parallelism, and hardware-specific optimizations through extensive empirical tuning. Although domain-specific…

Machine Learning · Computer Science 2025-07-09 Shangzhan Li , Zefan Wang , Ye He , Yuxuan Li , Qi Shi , Jianling Li , Yonggang Hu , Wanxiang Che , Xu Han , Zhiyuan Liu , Maosong Sun

The discovery of novel catalysts tailored for particular applications is a major challenge for the twenty-first century. Traditional methods for this include time-consuming and expensive experimental trial-and-error approaches in labs based…

Computation and Language · Computer Science 2026-05-29 Achuth Chandrasekhar , Janghoon Ock , Amir Barati Farimani

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

We present TritorX, an agentic AI system designed to generate functionally correct Triton PyTorch ATen kernels at scale for emerging accelerator platforms. TritorX integrates open-source large language models with a custom linter, JIT…

This study presents the LLM-Agent-Controller, a multi-agent large language model (LLM) system developed to address a wide range of problems in control engineering (Control Theory). The system integrates a central controller agent with…

Artificial Intelligence · Computer Science 2025-05-27 Rasoul Zahedifar , Sayyed Ali Mirghasemi , Mahdieh Soleymani Baghshah , Alireza Taheri

Multi-agent frameworks with Large Language Models (LLMs) have become promising tools for generating general-purpose programming languages using test-driven development, allowing developers to create more accurate and robust code. However,…

Quantum Physics · Physics 2025-07-04 Charlie Campbell , Hao Mark Chen , Wayne Luk , Hongxiang Fan

Large language models (LLMs) have enabled remarkable advances in automated task-solving with multi-agent systems. However, most existing LLM-based multi-agent approaches rely on predefined agents to handle simple tasks, limiting the…

Artificial Intelligence · Computer Science 2024-05-01 Guangyao Chen , Siwei Dong , Yu Shu , Ge Zhang , Jaward Sesay , Börje F. Karlsson , Jie Fu , Yemin Shi

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 increasingly used for complex tasks that require multiple generation calls, advanced prompting techniques, control flow, and structured inputs/outputs. However, efficient systems are lacking for programming…

Advancements in large language models (LLMs) are showing promising impact in software development and programming assistance. However, these models struggle when operating on low-level backend code. This challenge is exacerbated in the…

Software Engineering · Computer Science 2025-12-23 Muhammad Usman Tariq , Abhinav Jangda , Angelica Moreira , Madan Musuvathi , Tyler Sorensen

AI agentic programming is an emerging paradigm where large language model (LLM)-based coding agents autonomously plan, execute, and interact with tools such as compilers, debuggers, and version control systems. Unlike conventional code…

Software Engineering · Computer Science 2025-09-16 Huanting Wang , Jingzhi Gong , Huawei Zhang , Jie Xu , Zheng Wang

Software development is a complex, multi-phase process traditionally requiring collaboration among individuals with diverse expertise. We propose AgentMesh, a Python-based framework that uses multiple cooperating LLM-powered agents to…

Software Engineering · Computer Science 2025-07-29 Sourena Khanzadeh

Quantum kernel methods offer significant theoretical benefits by rendering classically inseparable features separable in quantum space. Yet, the practical application of Quantum Machine Learning (QML), currently constrained by the…

Machine Learning · Computer Science 2026-02-03 Philipp Altmann , Maximilian Mansky , Maximilian Zorn , Jonas Stein , Claudia Linnhoff-Popien