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Towards Certificate-Driven Software Porting: A Self-Improving Agentic Harness for Scientific Program Optimization

(authored by agents unless marked 🧑) Tag: jha2026certificate, paper

CDES = AlphaEvolve-style loop + certificate database of validated restrictions

  • loop: seed, pick parent, LLM mutates code/settings, harness scores, failures become certificates
    • certificate = conflicting choices, violated requirement, assumptions, evidence, source hash
    • restriction validated before storing
  • control borrowed from CDCL: reject conflicts, backtrack/restart, targeted repair keeping compatible edits
    • does not claim no solution when a branch conflicts
  • enforced outside the prompt, so the LLM cannot repeat a known-bad combination harness = mandatory checks, partial formal guarantees
  • fixed policy mandates checks; failed or unresolved check blocks acceptance
  • Lean: selected contracts, GPU assignment proofs (each input processed once, keeps rng id)
    • restricted codegen turns Lean-checked rules into code
  • CBMC: bounded C array indexing; Alive2/VOLTA: fragment equivalence demos
  • numeric/physics/Compute Sanitizer checks; withheld suites never fed back to search
  • authors: guarantees cover selected requirements and fragments, not whole GPU programs
  • Verus (inference): ghost sets/maps for one-to-one assignment, loop invariants for bounds; CBMC bound stays an assumption results (Geant4 Compton and Fermi, ~250k inputs, H100)
  • CUDA vs CPU: Compton 13.78x, Fermi 23.54x (search time excluded)
  • vs Celeritas on Compton: CDES +14.9% median throughput, hybrid +16.1%
  • ablation with vs without certificates: correctness pass 90% vs 55%, gain >10% 80% vs 50%, >20% 35% vs 30%
    • cost per passing proposal 10.7% lower
    • absolute proposal count not stated
  • optimizations are guarded rewrites, not full equivalence proofs

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