cs.LGMay 10, 2026

Metal-Sci: A Scientific Compute Benchmark for Evolutionary LLM Kernel Search on Apple Silicon

Authors: Víctor Gallego

Organizations: Komorebi AI Technologies, Madrid, Spain

Abstract

We present Metal-Sci, a 10-task benchmark of scientific Apple Silicon Metal compute kernels spanning six optimization regimes (stencils, all-pairs in nn-body problems, multi-field Boltzmann, neighbor-list molecular dynamics, multi-kernel PDE, FFT). Each task ships a CPU reference, a roofline-anchored fitness function, and a held-out generalization size. We pair the benchmark with a lightweight harness for automatic kernel search that runtime-compiles each candidate, scores it against the roofline across multiple sizes, and feeds structured compile and per-size correctness diagnostics back to a frozen LLM driving a (1+1)(1{+}1) evolutionary loop. We report matched single-model sweeps of Claude Opus 4.7, Gemini 3.1 Pro, and GPT 5.5 on M1 Pro: in-distribution self-speedups span 1.00×1.00\times to 10.7×10.7\times. Beyond raw speedup, our central methodological claim is structural: the held-out gate scoring function ΦTΦ_\mathcal{T} (evaluated once at end-of-run on a configuration the agent never sees during search) functions as a cheap mechanical oversight primitive on this automatic search loop, catching e.g. an Opus template <uint D> HMC win that returns wrong samples at unseen dimensions, and a GPT FFT3D best that wins in-distribution at 2.95×2.95\times speedup but collapses to 0.23×0.23\times on a 2563256^3 held-out cube, a silent regression that the in-distribution score alone cannot see. Code at https://github.com/vicgalle/metal-sci-kernels

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