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

Recent work has demonstrated the potential of large language models (LLMs) for program optimization, a key challenge in programming languages. We propose a blackbox adaptation method called Retrieval Augmented Search (RAS) that performs beam search over candidate optimizations; at each step, it retrieves in-context examples from a given training dataset of slow-fast program pairs to guide the LLM. Critically, we find that performing contextual retrieval based on an LLM-generated natural language description significantly outperforms retrieval based on the source code. We also propose AEGIS, a method for improving interpretability by decomposing training examples into ''atomic edits'' that are significantly more incremental in nature. We show that RAS performs up to 2.06$\times$ better than prior state-of-the-art blackbox adaptation strategies on optimizing C++ programs, and that AEGIS performs up to 1.37$\times$ better while making significantly smaller edits. We also show that using RAS improves the mean runtime percentile of Python programs by 10.27 compared to baselines.

Test-time scaling is an important mechanism for improving large language models, especially on tasks with deterministic verifiers. Code translation is a canonical example: the source program constrains valid outputs, while compilers, type check- ers, and behavioral checks provide exact pass/fail feedback. Existing approaches typically apply these verifiers only after generation, which is inefficient because early errors corrupt the autoregressive context and are rarely corrected later. We introduce Decoding Time Verification (DTV), a framework that treats structural boundaries as meta steps for verifier-guided decoding. DTV interleaves generation with verifier calls under a state-machine controller that enforces valid prefixes, using structural-boundary checks and structure-aware rollback to prevent error propagation while reducing wasted tokens. We evaluate DTV on C-to-Rust and JavaScript-to-TypeScript translation. Using Qwen3-4B as the primary generator under matched token budgets, DTV improves pass rates from 72.3% to 82.0% on C-to-Rust and from 33.3% to 46.0% on JavaScript-to-TypeScript relative to matched self-refinement baselines, while using fewer tokens per case; the same trend largely transfers to Gemma-4-E4B. In the evaluated cost-matched grid, DTV achieves a more favorable pass-rate-cost tradeoff than post-hoc verification or sampling-based scaling. These results show that verifier-guided decoding is an effective use of inference-time compute for code translation.

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.