Making LLMs Optimize Multi-Scenario CUDA Kernels Like Experts

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.

Improving GPU kernel efficiency is crucial for efficient AI systems. Recent work has explored leveraging large language models (LLMs) for GPU kernel generation and optimization. However, existing LLM-based kernel optimization pipelines typically rely on opaque, implicitly learned heuristics within the LLMs to determine optimization strategies. This leads to inefficient trial-and-error and weakly interpretable optimizations. Our key insight is to replace implicit heuristics with expert optimization knowledge that is aware of task trajectories. Specifically, we present KernelClaw, a multi-agent framework with a dual-level memory architecture. KernelClaw operates by coordinating agents with long-term memory of reusable expert knowledge and short-term memory to prevent repetitive backtracking. On KernelBench Levels 1-3, KernelClaw achieves a 100% success rate and average speedups of 6.98x, 7.89x, and 1.94x over Torch Eager on Levels 1, 2, and 3, respectively, outperforming prior baselines. Code is available at https://github.com/0satan0/KernelMem/.

High-performance GPU kernels underpin modern deep learning and scientific computing. As workloads become increasingly diverse and GPU hardware evolves rapidly, developing efficient methods for automated GPU kernel generation and optimization has become increasingly important. Existing LLM-based methods typically optimize within a fixed implementation space, limiting either optimization flexibility or search efficiency. We propose HIERA, a hierarchical search-space planning framework for GPU kernel optimization. HIERA constructs contract-augmented task specifications, selects an appropriate implementation space across PyTorch operators, CUDA libraries, and custom CUDA kernels, and uses profiling feedback and expert knowledge to guide structured iterative refinement. Experiments on KernelBench across multiple various workload levels and base LLMs show that HIERA delivers stronger overall implementation validity, sample efficiency, and optimization performance than existing training-free methods, while remaining competitive with the training-based CUDA-L1 without additional model training. A case study on a specialized stencil operator from scientific computing further achieves a $1.53\times$ speedup over cuDNN, demonstrating the potentiality of the general framework beyond standard machine-learning workloads.