Optimizing CUDA like a Human: Micro-Profiling Tools as Expert Surrogates for LLM-Based GPU Kernel Optimization
Authors: Jiading Gai, Shuai Zhang, Kaj Bostrom, Jin Huang, Vihang Patil, Haoyang Fang, Bernie Wang, Huzefa Rangwala, +1 more
Organizations: Amazon · Siemens · University of Minnesota
Abstract
We present KernelPro, a closed-loop multi-agent system that automatically generates, profiles, and iteratively optimizes GPU kernel code by integrating large language model (LLM) code generation with hardware profiler feedback and pluggable bottleneck detection tools. KernelPro introduces four contributions: (1) a semantic feedback operator that encodes expert heuristics as pluggable micro-profiling tools, transforming raw hardware metrics into actionable natural language guidance; (2) a two-stage tool invocation architecture where roofline-based bottleneck classification filters which specialized analysis tools execute, combining kernel-level (ncu), instruction-level (SASS), and system-level (nsys) profiling; (3) a domain-adapted MCTS with progressive widening, asymmetric branching, log-reward calibration, dead-end pruning, and search memory for cross-iteration learning; and (4) direct CuTe source-level code generation via autonomous code search over the CUTLASS/CuTe codebase. On KernelBench, KernelPro achieves geometric mean speedups of 2.42x/4.69x/5.30x on Levels 1/2/3, establishing state-of-the-art performance across all difficulty levels. On VeOmni's expert-optimized MoE training kernels, KernelPro achieves 1.23x over hand-tuned Triton by generating a from-scratch raw-CUDA+CuTe Hopper WGMMA kernel. Ablation studies demonstrate that each design component independently and significantly improves optimization quality: micro-profiling tools (p < 0.0001 vs raw metrics), MCTS search (26% higher geometric mean vs greedy, p = 0.004), and proactive tool orchestration (23% improvement, p = 0.035). Finally, KernelPro is the first CUDA kernel coding agent to optimize energy efficiency beyond the speed-only focus of prior systems, demonstrating an 11.6% measured energy reduction at matched speed.
Large language models (LLMs) can assist GPU kernel generation, but their practical effectiveness depends on whether generated code can be reliably constrained, validated, profiled, and selected. This paper presents a harness-centered system for LLM-driven GPU kernel optimization in the MLSys 2026 FlashInfer AI Kernel Generation Contest on NVIDIA Blackwell B200 GPUs. The system separates an evaluation harness from a profile-backed optimization controller: the harness enforces compilation, correctness, official-aligned timing, and artifact archival, while the controller turns profiler and workload evidence into bounded candidate-generation decisions. Human-authored skills capture operator constraints, references, profiling procedures, and promotion rules, while Codex and Claude Code agents generate candidate kernels inside those constraints. Across five operator definitions, the retained official-aligned artifacts achieved mean-latency speedups over supplied FlashInfer baselines of 1.62x, 18.05x, 29.68x, 1.12x, and 13.70x. The Agent-Assisted kernels outperform the Full-Agent artifacts across the evaluated definitions, indicating that expert-provided optimization directions, high-quality references, and workload context remain critical for reliable AI-driven kernel optimization.
LLM-based agents are increasingly used to generate GPU kernels, but they often know what optimizations to try without knowing when those optimizations are sound. We introduce KLineage, which learns this missing "when" knowledge from expert kernels: instead of relying on forward rollouts, KLineage walks expert implementations backward through validation-gated simplifications and reverses each accepted step into a reusable optimization skill. Each skill records not only the optimization intent, but also where it applies in code, what conditions made it valid, what effect it had, and what failures its assumptions avoid. A downstream LLM materializes these skills on new code surfaces under the same compile/correctness/profile gate. On five expert workloads across two NVIDIA architectures, these lineage-derived skills serve as an effective optimization curriculum, exceeding recent memory-based LLM-kernel baselines in both final kernel quality and optimization efficiency under the same fixed budget. We additionally use a separate 22-instance held-out check as a sanity test against source-case memorization.
GPU kernel optimization challenges LLMs beyond standard coding tasks, as it requires an understanding of hardware architecture, parallel computing optimization strategies, and profiling outputs. However, most existing approaches leveraging LLMs for kernel generation apply standard prompting and feedback loops, considering hardware only through profiling feedback. We introduce KernelFoundry, an evolutionary framework that efficiently explores the space of GPU kernels through (1) MAP-Elites quality diversity search with kernel-specific behavioral dimensions to sustain exploration; (2) meta-prompt evolution that co-evolves prompts with kernels to uncover task-specific optimization strategies, and (3) a template-based parameter optimization approach to tune kernels to inputs and hardware. We evaluate this framework on Kernel-Bench, robust-kbench and custom tasks, generating SYCL kernels as a cross-platform GPU programming paradigm, and CUDA kernels for comparison to prior work. Our approach consistently outperforms the baseline methods and achieves an average speedup of 2.3 on KernelBench for SYCL. Moreover, KernelFoundry is implemented as a distributed framework with remote access to diverse hardware, allowing quick benchmarking and featuring a flexible user input layer to support kernel generation for a wide range of real use cases beyond benchmarking.
Nina Wiedemann, Quentin Leboutet, Michael Paulitsch +2