Prior Knowledge or Search? A Study of LLM Agents in Hardware-Aware Code Optimization
Authors: Dmitry Redko, Albert Fazlyev, Konstantin Sozykin, Maria Ivanova, Evgeny Burnaev, Egor Shvetsov
Organizations: Applied AI Institute · AI Talent Hub, ITMO University · YSDA · YSDA, Applied AI Institute
Abstract
LLM discovery and optimization systems are increasingly applied across domains, implementing a common propose-evaluate-revise loop. Such optimization or discovery progresses via context conditioning on received feedback from an environment. However, as modern LLM agents are increasingly complex in their structure, it is difficult to evaluate which components contribute the most, and when and how this exploration may fail. We answer these questions through three controlled experiments. Our findings: (1) In pure black-box optimization, LLMs act as greedy optimizers. (2) In zero-shot kernel generation, providing explicit input-size information has no measurable effect, models converge to the same kernel parameters regardless of size or temperature, as though the size instruction were invisible. Moreover, when tasked to perform kernel optimization for uncommon kernel sizes, performance sharply degrades regardless of the language used. (3) In feedback-loop kernel optimization, CUDA improves monotonically under iterative feedback, while TVM IR actively degrades, which demonstrates that kernel optimization degrades when models operate with low-density language. Our results conclude that LLMs in code optimization tasks highly depend on pretrained priors rather than provided feedback or agentic structure.
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.
Recent large language model (LLM) agents have shown promise in using execution feedback for test-time adaptation. However, robust self-improvement remains far from solved: most approaches still treat each problem instance independently, without accumulating reusable knowledge. This limitation is particularly pronounced in domain-specific languages such as Triton, which are underrepresented in LLM pretraining data. Their strict constraints and non-linear optimization landscape further make naive generation and local refinement unreliable. We propose AdaExplore, an agent framework that enables self-improvement via accumulated execution feedback for performance-critical kernel code generation through two complementary stages: failure-driven adaptation and diversity-preserving search, jointly improving correctness and optimization performance without additional fine-tuning or external knowledge. In the adaptation stage, the agent synthesizes tasks and converts recurring failures into a reusable memory of validity rules, helping subsequent generations remain within the feasible set. In the search stage, the agent organizes candidate kernels as a tree and alternates between small local refinements and larger structural regeneration, allowing it to explore the optimization landscape beyond local optima. Experiments on kernel runtime optimization benchmarks validate these gains: AdaExplore achieves 3.12x and 1.72x speedups on KernelBench Level-2 and Level-3, respectively, within 100 steps, and continues to improve with additional computation.